id category name description xref provided_by synonym deprecated iri same_as subsets
http://data.monarchinitiative.org/vocab/PHENIO_EMAPA_ROOT biolink:OntologyClass EMAPA root (PHENIO) phenio.json http://data.monarchinitiative.org/vocab/PHENIO_EMAPA_ROOT
http://identifiers.org/hgnc/10004 biolink:OntologyClass RGS9 phenio.json http://identifiers.org/hgnc/10004
http://identifiers.org/hgnc/10006 biolink:OntologyClass RHAG phenio.json http://identifiers.org/hgnc/10006
http://identifiers.org/hgnc/10012 biolink:OntologyClass RHO phenio.json http://identifiers.org/hgnc/10012
http://identifiers.org/hgnc/10013 biolink:OntologyClass GRK1 phenio.json http://identifiers.org/hgnc/10013
http://identifiers.org/hgnc/10019 biolink:OntologyClass RIPK1 phenio.json http://identifiers.org/hgnc/10019
http://identifiers.org/hgnc/10023 biolink:OntologyClass RIT1 phenio.json http://identifiers.org/hgnc/10023
http://identifiers.org/hgnc/10024 biolink:OntologyClass RLBP1 phenio.json http://identifiers.org/hgnc/10024
http://identifiers.org/hgnc/10031 biolink:OntologyClass RMRP phenio.json http://identifiers.org/hgnc/10031
http://identifiers.org/hgnc/10050 biolink:OntologyClass RNASEL phenio.json http://identifiers.org/hgnc/10050
http://identifiers.org/hgnc/10057 biolink:OntologyClass RNF13 phenio.json http://identifiers.org/hgnc/10057
http://identifiers.org/hgnc/10061 biolink:OntologyClass RNF2 phenio.json http://identifiers.org/hgnc/10061
http://identifiers.org/hgnc/1012 biolink:OntologyClass OPN1SW phenio.json http://identifiers.org/hgnc/1012
http://identifiers.org/hgnc/1014 biolink:OntologyClass BCR phenio.json http://identifiers.org/hgnc/1014
http://identifiers.org/hgnc/10193 biolink:OntologyClass RNU4-2 phenio.json http://identifiers.org/hgnc/10193
http://identifiers.org/hgnc/1020 biolink:OntologyClass BCS1L phenio.json http://identifiers.org/hgnc/1020
http://identifiers.org/hgnc/10249 biolink:OntologyClass ROBO1 phenio.json http://identifiers.org/hgnc/10249
http://identifiers.org/hgnc/10250 biolink:OntologyClass ROBO2 phenio.json http://identifiers.org/hgnc/10250
http://identifiers.org/hgnc/10257 biolink:OntologyClass ROR2 phenio.json http://identifiers.org/hgnc/10257
http://identifiers.org/hgnc/10258 biolink:OntologyClass RORA phenio.json http://identifiers.org/hgnc/10258
http://identifiers.org/hgnc/10260 biolink:OntologyClass RORC phenio.json http://identifiers.org/hgnc/10260
http://identifiers.org/hgnc/10263 biolink:OntologyClass RP1 phenio.json http://identifiers.org/hgnc/10263
http://identifiers.org/hgnc/10274 biolink:OntologyClass RP2 phenio.json http://identifiers.org/hgnc/10274
http://identifiers.org/hgnc/10288 biolink:OntologyClass RP9 phenio.json http://identifiers.org/hgnc/10288
http://identifiers.org/hgnc/10289 biolink:OntologyClass RPA1 phenio.json http://identifiers.org/hgnc/10289
http://identifiers.org/hgnc/10294 biolink:OntologyClass RPE65 phenio.json http://identifiers.org/hgnc/10294
http://identifiers.org/hgnc/10295 biolink:OntologyClass RPGR phenio.json http://identifiers.org/hgnc/10295
http://identifiers.org/hgnc/10297 biolink:OntologyClass RPIA phenio.json http://identifiers.org/hgnc/10297
http://identifiers.org/hgnc/10298 biolink:OntologyClass RPL10 phenio.json http://identifiers.org/hgnc/10298
http://identifiers.org/hgnc/103 biolink:OntologyClass CNNM2 phenio.json http://identifiers.org/hgnc/103
http://identifiers.org/hgnc/10301 biolink:OntologyClass RPL11 phenio.json http://identifiers.org/hgnc/10301
http://identifiers.org/hgnc/10303 biolink:OntologyClass RPL13 phenio.json http://identifiers.org/hgnc/10303
http://identifiers.org/hgnc/10306 biolink:OntologyClass RPL15 phenio.json http://identifiers.org/hgnc/10306
http://identifiers.org/hgnc/10313 biolink:OntologyClass RPL21 phenio.json http://identifiers.org/hgnc/10313
http://identifiers.org/hgnc/10327 biolink:OntologyClass RPL26 phenio.json http://identifiers.org/hgnc/10327
http://identifiers.org/hgnc/1033 biolink:OntologyClass BDNF phenio.json http://identifiers.org/hgnc/1033
http://identifiers.org/hgnc/10345 biolink:OntologyClass RPL35A phenio.json http://identifiers.org/hgnc/10345
http://identifiers.org/hgnc/10351 biolink:OntologyClass RPL3L phenio.json http://identifiers.org/hgnc/10351
http://identifiers.org/hgnc/10360 biolink:OntologyClass RPL5 phenio.json http://identifiers.org/hgnc/10360
http://identifiers.org/hgnc/1037 biolink:OntologyClass CFB phenio.json http://identifiers.org/hgnc/1037
http://identifiers.org/hgnc/10379 biolink:OntologyClass MRPL3 phenio.json http://identifiers.org/hgnc/10379
http://identifiers.org/hgnc/10383 biolink:OntologyClass RPS10 phenio.json http://identifiers.org/hgnc/10383
http://identifiers.org/hgnc/10387 biolink:OntologyClass RPS14 phenio.json http://identifiers.org/hgnc/10387
http://identifiers.org/hgnc/10397 biolink:OntologyClass RPS17 phenio.json http://identifiers.org/hgnc/10397
http://identifiers.org/hgnc/1040 biolink:OntologyClass BFSP1 phenio.json http://identifiers.org/hgnc/1040
http://identifiers.org/hgnc/10402 biolink:OntologyClass RPS19 phenio.json http://identifiers.org/hgnc/10402
http://identifiers.org/hgnc/1041 biolink:OntologyClass BFSP2 phenio.json http://identifiers.org/hgnc/1041
http://identifiers.org/hgnc/10410 biolink:OntologyClass RPS23 phenio.json http://identifiers.org/hgnc/10410
http://identifiers.org/hgnc/10411 biolink:OntologyClass RPS24 phenio.json http://identifiers.org/hgnc/10411
http://identifiers.org/hgnc/10414 biolink:OntologyClass RPS26 phenio.json http://identifiers.org/hgnc/10414
http://identifiers.org/hgnc/10418 biolink:OntologyClass RPS28 phenio.json http://identifiers.org/hgnc/10418
http://identifiers.org/hgnc/10419 biolink:OntologyClass RPS29 phenio.json http://identifiers.org/hgnc/10419
http://identifiers.org/hgnc/10432 biolink:OntologyClass RPS6KA3 phenio.json http://identifiers.org/hgnc/10432
http://identifiers.org/hgnc/1044 biolink:OntologyClass BGN phenio.json http://identifiers.org/hgnc/1044
http://identifiers.org/hgnc/10440 biolink:OntologyClass RPS7 phenio.json http://identifiers.org/hgnc/10440
http://identifiers.org/hgnc/10451 biolink:OntologyClass RRM1 phenio.json http://identifiers.org/hgnc/10451
http://identifiers.org/hgnc/10457 biolink:OntologyClass RS1 phenio.json http://identifiers.org/hgnc/10457
http://identifiers.org/hgnc/10468 biolink:OntologyClass RTN2 phenio.json http://identifiers.org/hgnc/10468
http://identifiers.org/hgnc/10471 biolink:OntologyClass RUNX1 phenio.json http://identifiers.org/hgnc/10471
http://identifiers.org/hgnc/10472 biolink:OntologyClass RUNX2 phenio.json http://identifiers.org/hgnc/10472
http://identifiers.org/hgnc/10483 biolink:OntologyClass RYR1 phenio.json http://identifiers.org/hgnc/10483
http://identifiers.org/hgnc/10484 biolink:OntologyClass RYR2 phenio.json http://identifiers.org/hgnc/10484
http://identifiers.org/hgnc/10485 biolink:OntologyClass RYR3 phenio.json http://identifiers.org/hgnc/10485
http://identifiers.org/hgnc/105 biolink:OntologyClass CNNM4 phenio.json http://identifiers.org/hgnc/105
http://identifiers.org/hgnc/10519 biolink:OntologyClass SACS phenio.json http://identifiers.org/hgnc/10519
http://identifiers.org/hgnc/1052 biolink:OntologyClass BIN1 phenio.json http://identifiers.org/hgnc/1052
http://identifiers.org/hgnc/10521 biolink:OntologyClass SAG phenio.json http://identifiers.org/hgnc/10521
http://identifiers.org/hgnc/10524 biolink:OntologyClass SALL1 phenio.json http://identifiers.org/hgnc/10524
http://identifiers.org/hgnc/10526 biolink:OntologyClass SALL2 phenio.json http://identifiers.org/hgnc/10526
http://identifiers.org/hgnc/10535 biolink:OntologyClass SAR1B phenio.json http://identifiers.org/hgnc/10535
http://identifiers.org/hgnc/10536 biolink:OntologyClass SARDH phenio.json http://identifiers.org/hgnc/10536
http://identifiers.org/hgnc/10537 biolink:OntologyClass SARS1 phenio.json http://identifiers.org/hgnc/10537
http://identifiers.org/hgnc/10541 biolink:OntologyClass SATB1 phenio.json http://identifiers.org/hgnc/10541
http://identifiers.org/hgnc/10542 biolink:OntologyClass SBF1 phenio.json http://identifiers.org/hgnc/10542
http://identifiers.org/hgnc/10545 biolink:OntologyClass MSMO1 phenio.json http://identifiers.org/hgnc/10545
http://identifiers.org/hgnc/10547 biolink:OntologyClass SC5D phenio.json http://identifiers.org/hgnc/10547
http://identifiers.org/hgnc/10548 biolink:OntologyClass ATXN1 phenio.json http://identifiers.org/hgnc/10548
http://identifiers.org/hgnc/10549 biolink:OntologyClass ATXN10 phenio.json http://identifiers.org/hgnc/10549
http://identifiers.org/hgnc/10555 biolink:OntologyClass ATXN2 phenio.json http://identifiers.org/hgnc/10555
http://identifiers.org/hgnc/10560 biolink:OntologyClass ATXN7 phenio.json http://identifiers.org/hgnc/10560
http://identifiers.org/hgnc/1057 biolink:OntologyClass BLK phenio.json http://identifiers.org/hgnc/1057
http://identifiers.org/hgnc/1058 biolink:OntologyClass BLM phenio.json http://identifiers.org/hgnc/1058
http://identifiers.org/hgnc/10582 biolink:OntologyClass SCN10A phenio.json http://identifiers.org/hgnc/10582
http://identifiers.org/hgnc/10583 biolink:OntologyClass SCN11A phenio.json http://identifiers.org/hgnc/10583
http://identifiers.org/hgnc/10585 biolink:OntologyClass SCN1A phenio.json http://identifiers.org/hgnc/10585
http://identifiers.org/hgnc/10586 biolink:OntologyClass SCN1B phenio.json http://identifiers.org/hgnc/10586
http://identifiers.org/hgnc/10588 biolink:OntologyClass SCN2A phenio.json http://identifiers.org/hgnc/10588
http://identifiers.org/hgnc/10589 biolink:OntologyClass SCN2B phenio.json http://identifiers.org/hgnc/10589
http://identifiers.org/hgnc/10590 biolink:OntologyClass SCN3A phenio.json http://identifiers.org/hgnc/10590
http://identifiers.org/hgnc/10591 biolink:OntologyClass SCN4A phenio.json http://identifiers.org/hgnc/10591
http://identifiers.org/hgnc/10592 biolink:OntologyClass SCN4B phenio.json http://identifiers.org/hgnc/10592
http://identifiers.org/hgnc/10593 biolink:OntologyClass SCN5A phenio.json http://identifiers.org/hgnc/10593
http://identifiers.org/hgnc/10596 biolink:OntologyClass SCN8A phenio.json http://identifiers.org/hgnc/10596
http://identifiers.org/hgnc/10597 biolink:OntologyClass SCN9A phenio.json http://identifiers.org/hgnc/10597
http://identifiers.org/hgnc/10599 biolink:OntologyClass SCNN1A phenio.json http://identifiers.org/hgnc/10599
http://identifiers.org/hgnc/10600 biolink:OntologyClass SCNN1B phenio.json http://identifiers.org/hgnc/10600
http://identifiers.org/hgnc/10602 biolink:OntologyClass SCNN1G phenio.json http://identifiers.org/hgnc/10602
http://identifiers.org/hgnc/10603 biolink:OntologyClass SCO1 phenio.json http://identifiers.org/hgnc/10603
http://identifiers.org/hgnc/10604 biolink:OntologyClass SCO2 phenio.json http://identifiers.org/hgnc/10604
http://identifiers.org/hgnc/10606 biolink:OntologyClass SCP2 phenio.json http://identifiers.org/hgnc/10606
http://identifiers.org/hgnc/1062 biolink:OntologyClass BLVRA phenio.json http://identifiers.org/hgnc/1062
http://identifiers.org/hgnc/10648 biolink:OntologyClass AIMP1 phenio.json http://identifiers.org/hgnc/10648
http://identifiers.org/hgnc/10663 biolink:OntologyClass NEMF phenio.json http://identifiers.org/hgnc/10663
http://identifiers.org/hgnc/10664 biolink:OntologyClass CWC27 phenio.json http://identifiers.org/hgnc/10664
http://identifiers.org/hgnc/10669 biolink:OntologyClass TSHZ1 phenio.json http://identifiers.org/hgnc/10669
http://identifiers.org/hgnc/1067 biolink:OntologyClass BMP1 phenio.json http://identifiers.org/hgnc/1067
http://identifiers.org/hgnc/10671 biolink:OntologyClass SDCCAG8 phenio.json http://identifiers.org/hgnc/10671
http://identifiers.org/hgnc/1068 biolink:OntologyClass BMP15 phenio.json http://identifiers.org/hgnc/1068
http://identifiers.org/hgnc/10680 biolink:OntologyClass SDHA phenio.json http://identifiers.org/hgnc/10680
http://identifiers.org/hgnc/10681 biolink:OntologyClass SDHB phenio.json http://identifiers.org/hgnc/10681
http://identifiers.org/hgnc/10682 biolink:OntologyClass SDHC phenio.json http://identifiers.org/hgnc/10682
http://identifiers.org/hgnc/10683 biolink:OntologyClass SDHD phenio.json http://identifiers.org/hgnc/10683
http://identifiers.org/hgnc/1069 biolink:OntologyClass BMP2 phenio.json http://identifiers.org/hgnc/1069
http://identifiers.org/hgnc/10701 biolink:OntologyClass SEC23A phenio.json http://identifiers.org/hgnc/10701
http://identifiers.org/hgnc/10702 biolink:OntologyClass SEC23B phenio.json http://identifiers.org/hgnc/10702
http://identifiers.org/hgnc/10706 biolink:OntologyClass SEC24D phenio.json http://identifiers.org/hgnc/10706
http://identifiers.org/hgnc/1071 biolink:OntologyClass BMP4 phenio.json http://identifiers.org/hgnc/1071
http://identifiers.org/hgnc/10719 biolink:OntologyClass SELENBP1 phenio.json http://identifiers.org/hgnc/10719
http://identifiers.org/hgnc/10723 biolink:OntologyClass SEMA3A phenio.json http://identifiers.org/hgnc/10723
http://identifiers.org/hgnc/10729 biolink:OntologyClass SEMA4A phenio.json http://identifiers.org/hgnc/10729
http://identifiers.org/hgnc/10739 biolink:OntologyClass SEMA6B phenio.json http://identifiers.org/hgnc/10739
http://identifiers.org/hgnc/1076 biolink:OntologyClass BMPR1A phenio.json http://identifiers.org/hgnc/1076
http://identifiers.org/hgnc/10760 biolink:OntologyClass SET phenio.json http://identifiers.org/hgnc/10760
http://identifiers.org/hgnc/10769 biolink:OntologyClass SF3B2 phenio.json http://identifiers.org/hgnc/10769
http://identifiers.org/hgnc/1077 biolink:OntologyClass BMPR1B phenio.json http://identifiers.org/hgnc/1077
http://identifiers.org/hgnc/10771 biolink:OntologyClass SF3B4 phenio.json http://identifiers.org/hgnc/10771
http://identifiers.org/hgnc/10778 biolink:OntologyClass SFRP4 phenio.json http://identifiers.org/hgnc/10778
http://identifiers.org/hgnc/1078 biolink:OntologyClass BMPR2 phenio.json http://identifiers.org/hgnc/1078
http://identifiers.org/hgnc/10780 biolink:OntologyClass SRSF1 phenio.json http://identifiers.org/hgnc/10780
http://identifiers.org/hgnc/10798 biolink:OntologyClass SFTPA1 phenio.json http://identifiers.org/hgnc/10798
http://identifiers.org/hgnc/10799 biolink:OntologyClass SFTPA2 phenio.json http://identifiers.org/hgnc/10799
http://identifiers.org/hgnc/10801 biolink:OntologyClass SFTPB phenio.json http://identifiers.org/hgnc/10801
http://identifiers.org/hgnc/10802 biolink:OntologyClass SFTPC phenio.json http://identifiers.org/hgnc/10802
http://identifiers.org/hgnc/10805 biolink:OntologyClass SGCA phenio.json http://identifiers.org/hgnc/10805
http://identifiers.org/hgnc/10806 biolink:OntologyClass SGCB phenio.json http://identifiers.org/hgnc/10806
http://identifiers.org/hgnc/10807 biolink:OntologyClass SGCD phenio.json http://identifiers.org/hgnc/10807
http://identifiers.org/hgnc/10808 biolink:OntologyClass SGCE phenio.json http://identifiers.org/hgnc/10808
http://identifiers.org/hgnc/10809 biolink:OntologyClass SGCG phenio.json http://identifiers.org/hgnc/10809
http://identifiers.org/hgnc/10817 biolink:OntologyClass SGPL1 phenio.json http://identifiers.org/hgnc/10817
http://identifiers.org/hgnc/10818 biolink:OntologyClass SGSH phenio.json http://identifiers.org/hgnc/10818
http://identifiers.org/hgnc/10820 biolink:OntologyClass SH2D1A phenio.json http://identifiers.org/hgnc/10820
http://identifiers.org/hgnc/10825 biolink:OntologyClass SH3BP2 phenio.json http://identifiers.org/hgnc/10825
http://identifiers.org/hgnc/10848 biolink:OntologyClass SHH phenio.json http://identifiers.org/hgnc/10848
http://identifiers.org/hgnc/10852 biolink:OntologyClass SHMT2 phenio.json http://identifiers.org/hgnc/10852
http://identifiers.org/hgnc/10856 biolink:OntologyClass SI phenio.json http://identifiers.org/hgnc/10856
http://identifiers.org/hgnc/10857 biolink:OntologyClass SIAH1 phenio.json http://identifiers.org/hgnc/10857
http://identifiers.org/hgnc/10866 biolink:OntologyClass ST3GAL3 phenio.json http://identifiers.org/hgnc/10866
http://identifiers.org/hgnc/10872 biolink:OntologyClass ST3GAL5 phenio.json http://identifiers.org/hgnc/10872
http://identifiers.org/hgnc/10879 biolink:OntologyClass STIL phenio.json http://identifiers.org/hgnc/10879
http://identifiers.org/hgnc/10882 biolink:OntologyClass SIM1 phenio.json http://identifiers.org/hgnc/10882
http://identifiers.org/hgnc/10887 biolink:OntologyClass SIX1 phenio.json http://identifiers.org/hgnc/10887
http://identifiers.org/hgnc/10889 biolink:OntologyClass SIX3 phenio.json http://identifiers.org/hgnc/10889
http://identifiers.org/hgnc/10891 biolink:OntologyClass SIX5 phenio.json http://identifiers.org/hgnc/10891
http://identifiers.org/hgnc/10892 biolink:OntologyClass SIX6 phenio.json http://identifiers.org/hgnc/10892
http://identifiers.org/hgnc/10896 biolink:OntologyClass SKI phenio.json http://identifiers.org/hgnc/10896
http://identifiers.org/hgnc/10898 biolink:OntologyClass SKIC2 phenio.json http://identifiers.org/hgnc/10898
http://identifiers.org/hgnc/1090 biolink:OntologyClass DST phenio.json http://identifiers.org/hgnc/1090
http://identifiers.org/hgnc/10905 biolink:OntologyClass SLC10A1 phenio.json http://identifiers.org/hgnc/10905
http://identifiers.org/hgnc/10906 biolink:OntologyClass SLC10A2 phenio.json http://identifiers.org/hgnc/10906
http://identifiers.org/hgnc/10907 biolink:OntologyClass SLC11A1 phenio.json http://identifiers.org/hgnc/10907
http://identifiers.org/hgnc/10908 biolink:OntologyClass SLC11A2 phenio.json http://identifiers.org/hgnc/10908
http://identifiers.org/hgnc/10909 biolink:OntologyClass SLC40A1 phenio.json http://identifiers.org/hgnc/10909
http://identifiers.org/hgnc/10910 biolink:OntologyClass SLC12A1 phenio.json http://identifiers.org/hgnc/10910
http://identifiers.org/hgnc/10911 biolink:OntologyClass SLC12A2 phenio.json http://identifiers.org/hgnc/10911
http://identifiers.org/hgnc/10912 biolink:OntologyClass SLC12A3 phenio.json http://identifiers.org/hgnc/10912
http://identifiers.org/hgnc/10914 biolink:OntologyClass SLC12A6 phenio.json http://identifiers.org/hgnc/10914
http://identifiers.org/hgnc/1092 biolink:OntologyClass FOXL2 phenio.json http://identifiers.org/hgnc/1092
http://identifiers.org/hgnc/10922 biolink:OntologyClass SLC16A1 phenio.json http://identifiers.org/hgnc/10922
http://identifiers.org/hgnc/10923 biolink:OntologyClass SLC16A2 phenio.json http://identifiers.org/hgnc/10923
http://identifiers.org/hgnc/1093 biolink:OntologyClass BPGM phenio.json http://identifiers.org/hgnc/1093
http://identifiers.org/hgnc/10933 biolink:OntologyClass SLC17A5 phenio.json http://identifiers.org/hgnc/10933
http://identifiers.org/hgnc/10935 biolink:OntologyClass SLC18A2 phenio.json http://identifiers.org/hgnc/10935
http://identifiers.org/hgnc/10936 biolink:OntologyClass SLC18A3 phenio.json http://identifiers.org/hgnc/10936
http://identifiers.org/hgnc/10937 biolink:OntologyClass SLC19A1 phenio.json http://identifiers.org/hgnc/10937
http://identifiers.org/hgnc/10938 biolink:OntologyClass SLC19A2 phenio.json http://identifiers.org/hgnc/10938
http://identifiers.org/hgnc/10939 biolink:OntologyClass SLC1A1 phenio.json http://identifiers.org/hgnc/10939
http://identifiers.org/hgnc/10940 biolink:OntologyClass SLC1A2 phenio.json http://identifiers.org/hgnc/10940
http://identifiers.org/hgnc/10941 biolink:OntologyClass SLC1A3 phenio.json http://identifiers.org/hgnc/10941
http://identifiers.org/hgnc/10942 biolink:OntologyClass SLC1A4 phenio.json http://identifiers.org/hgnc/10942
http://identifiers.org/hgnc/10947 biolink:OntologyClass SLC20A2 phenio.json http://identifiers.org/hgnc/10947
http://identifiers.org/hgnc/10955 biolink:OntologyClass SLCO2A1 phenio.json http://identifiers.org/hgnc/10955
http://identifiers.org/hgnc/10964 biolink:OntologyClass SLC67A1 phenio.json http://identifiers.org/hgnc/10964
http://identifiers.org/hgnc/10969 biolink:OntologyClass SLC22A5 phenio.json http://identifiers.org/hgnc/10969
http://identifiers.org/hgnc/1097 biolink:OntologyClass BRAF phenio.json http://identifiers.org/hgnc/1097
http://identifiers.org/hgnc/10975 biolink:OntologyClass SLC24A1 phenio.json http://identifiers.org/hgnc/10975
http://identifiers.org/hgnc/10978 biolink:OntologyClass SLC24A4 phenio.json http://identifiers.org/hgnc/10978
http://identifiers.org/hgnc/10979 biolink:OntologyClass SLC25A1 phenio.json http://identifiers.org/hgnc/10979
http://identifiers.org/hgnc/10981 biolink:OntologyClass SLC25A11 phenio.json http://identifiers.org/hgnc/10981
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http://identifiers.org/ncbigene/607584 biolink:OntologyClass LHX3 phenio.json http://identifiers.org/ncbigene/607584
http://identifiers.org/ncbigene/607609 biolink:OntologyClass COL9A2 phenio.json http://identifiers.org/ncbigene/607609
http://identifiers.org/ncbigene/607694 biolink:OntologyClass CNP phenio.json http://identifiers.org/ncbigene/607694
http://identifiers.org/ncbigene/608287 biolink:OntologyClass ITGA10 phenio.json http://identifiers.org/ncbigene/608287
http://identifiers.org/ncbigene/608491 biolink:OntologyClass IMPG2 phenio.json http://identifiers.org/ncbigene/608491
http://identifiers.org/ncbigene/608697 biolink:OntologyClass LOC608697 phenio.json http://identifiers.org/ncbigene/608697
http://identifiers.org/ncbigene/609265 biolink:OntologyClass SGCA phenio.json http://identifiers.org/ncbigene/609265
http://identifiers.org/ncbigene/609511 biolink:OntologyClass ARHGEF10 phenio.json http://identifiers.org/ncbigene/609511
http://identifiers.org/ncbigene/609521 biolink:OntologyClass RAPGEF6 phenio.json http://identifiers.org/ncbigene/609521
http://identifiers.org/ncbigene/609630 biolink:OntologyClass GP9 phenio.json http://identifiers.org/ncbigene/609630
http://identifiers.org/ncbigene/610364 biolink:OntologyClass ARSB phenio.json http://identifiers.org/ncbigene/610364
http://identifiers.org/ncbigene/610534 biolink:OntologyClass LRIT3 phenio.json http://identifiers.org/ncbigene/610534
http://identifiers.org/ncbigene/611267 biolink:OntologyClass ADAMTS10 phenio.json http://identifiers.org/ncbigene/611267
http://identifiers.org/ncbigene/612079 biolink:OntologyClass SGCD phenio.json http://identifiers.org/ncbigene/612079
http://identifiers.org/ncbigene/612101 biolink:OntologyClass RASGRP2 phenio.json http://identifiers.org/ncbigene/612101
http://identifiers.org/ncbigene/612430 biolink:OntologyClass COL9A3 phenio.json http://identifiers.org/ncbigene/612430
http://identifiers.org/ncbigene/612440 biolink:OntologyClass NDP phenio.json http://identifiers.org/ncbigene/612440
http://identifiers.org/ncbigene/613947 biolink:OntologyClass EDAR phenio.json http://identifiers.org/ncbigene/613947
http://identifiers.org/ncbigene/616179 biolink:OntologyClass EDA phenio.json http://identifiers.org/ncbigene/616179
http://identifiers.org/ncbigene/616218 biolink:OntologyClass GALNT2 phenio.json http://identifiers.org/ncbigene/616218
http://identifiers.org/ncbigene/616576 biolink:OntologyClass GCK phenio.json http://identifiers.org/ncbigene/616576
http://identifiers.org/ncbigene/641309 biolink:OntologyClass PKD2 phenio.json http://identifiers.org/ncbigene/641309
http://identifiers.org/ncbigene/654400 biolink:OntologyClass GATA6 phenio.json http://identifiers.org/ncbigene/654400
http://identifiers.org/ncbigene/678673 biolink:OntologyClass CLN6 phenio.json http://identifiers.org/ncbigene/678673
http://identifiers.org/ncbigene/698782 biolink:OntologyClass MLH1 phenio.json http://identifiers.org/ncbigene/698782
http://identifiers.org/ncbigene/700261 biolink:OntologyClass PDE6C phenio.json http://identifiers.org/ncbigene/700261
http://identifiers.org/ncbigene/706037 biolink:OntologyClass PINK1 phenio.json http://identifiers.org/ncbigene/706037
http://identifiers.org/ncbigene/706985 biolink:OntologyClass SNCA phenio.json http://identifiers.org/ncbigene/706985
http://identifiers.org/ncbigene/707478 biolink:OntologyClass BBS7 phenio.json http://identifiers.org/ncbigene/707478
http://identifiers.org/ncbigene/715701 biolink:OntologyClass MSH6 phenio.json http://identifiers.org/ncbigene/715701
http://identifiers.org/ncbigene/751100 biolink:OntologyClass TYR phenio.json http://identifiers.org/ncbigene/751100
http://identifiers.org/ncbigene/751823 biolink:OntologyClass LIX1 phenio.json http://identifiers.org/ncbigene/751823
http://identifiers.org/ncbigene/780411 biolink:OntologyClass PSEN1 phenio.json http://identifiers.org/ncbigene/780411
http://identifiers.org/ncbigene/782170 biolink:OntologyClass TWIST1 phenio.json http://identifiers.org/ncbigene/782170
http://identifiers.org/ncbigene/789125 biolink:OntologyClass NAGLU phenio.json http://identifiers.org/ncbigene/789125
http://identifiers.org/ncbigene/791238 biolink:OntologyClass LAMA3 phenio.json http://identifiers.org/ncbigene/791238
http://identifiers.org/ncbigene/791245 biolink:OntologyClass LAMC2 phenio.json http://identifiers.org/ncbigene/791245
BFO:0000001 biolink:OntologyClass entity phenio.json http://purl.obolibrary.org/obo/BFO_0000001
BFO:0000002 biolink:OntologyClass continuant phenio.json http://purl.obolibrary.org/obo/BFO_0000002
BFO:0000003 biolink:OntologyClass occurrent phenio.json http://purl.obolibrary.org/obo/BFO_0000003
BFO:0000004 biolink:OntologyClass independent continuant phenio.json http://purl.obolibrary.org/obo/BFO_0000004
BFO:0000006 biolink:OntologyClass spatial region phenio.json http://purl.obolibrary.org/obo/BFO_0000006
BFO:0000015 biolink:OntologyClass process phenio.json http://purl.obolibrary.org/obo/BFO_0000015
BFO:0000017 biolink:OntologyClass realizable entity phenio.json http://purl.obolibrary.org/obo/BFO_0000017
BFO:0000019 biolink:OntologyClass quality phenio.json http://purl.obolibrary.org/obo/BFO_0000019
BFO:0000020 biolink:OntologyClass specifically dependent continuant phenio.json http://purl.obolibrary.org/obo/BFO_0000020
BFO:0000023 biolink:OntologyClass role phenio.json http://purl.obolibrary.org/obo/BFO_0000023
BFO:0000024 biolink:OntologyClass fiat object part phenio.json http://purl.obolibrary.org/obo/BFO_0000024
BFO:0000027 biolink:OntologyClass object aggregate phenio.json http://purl.obolibrary.org/obo/BFO_0000027
BFO:0000031 biolink:OntologyClass generically dependent continuant phenio.json http://purl.obolibrary.org/obo/BFO_0000031
BFO:0000040 biolink:OntologyClass material entity phenio.json http://purl.obolibrary.org/obo/BFO_0000040
BFO:0000141 biolink:OntologyClass immaterial entity phenio.json http://purl.obolibrary.org/obo/BFO_0000141
BSPO:0000000 biolink:OntologyClass left side The side of an organism that is left of the sagittal plane. phenio.json left http://purl.obolibrary.org/obo/BSPO_0000000
BSPO:0000001 biolink:OntologyClass upper side phenio.json upper http://purl.obolibrary.org/obo/BSPO_0000001
BSPO:0000004 biolink:OntologyClass superficial side phenio.json superficial http://purl.obolibrary.org/obo/BSPO_0000004
BSPO:0000005 biolink:OntologyClass anatomical surface A 2D surface of an anatomical continuant. FMA:24137 phenio.json surface http://purl.obolibrary.org/obo/BSPO_0000005
BSPO:0000006 biolink:OntologyClass anatomical margin Fiat anatomical region extending a short distance from the boundary of an object inwards. phenio.json edge|margin http://purl.obolibrary.org/obo/BSPO_0000006
BSPO:0000007 biolink:OntologyClass right side The side of an organism that is right of the sagittal plane. phenio.json right http://purl.obolibrary.org/obo/BSPO_0000007
BSPO:0000009 biolink:OntologyClass midsagittal plane Sagittal plane that divides bilateral body into equal left and right parts. FMA:74563 phenio.json median plane|median sagittal plane|midline plane|midsagittal section http://purl.obolibrary.org/obo/BSPO_0000009
BSPO:0000010 biolink:OntologyClass anatomical axis A straight line through space, intersecting an anatomical entity. http://upload.wikimedia.org/wikipedia/commons/3/34/Anatomical_Directions_and_Axes.JPG phenio.json http://purl.obolibrary.org/obo/BSPO_0000010
BSPO:0000011 biolink:OntologyClass upper-lower axis An anatomical axis determined by gravity. phenio.json superior-inferior axis http://purl.obolibrary.org/obo/BSPO_0000011
BSPO:0000012 biolink:OntologyClass deep-superficial axis An axis that extends from an internal position to a more external position in the body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000012
BSPO:0000013 biolink:OntologyClass anterior-posterior axis An axis that extends through an organism from head end to opposite end of body or tail. phenio.json A-P axis|AP axis|anteroposterior axis|cephalocaudal axis|craniocaudal axis|longitudinal axis|rostral/caudal|rostrocaudal axis http://purl.obolibrary.org/obo/BSPO_0000013
BSPO:0000014 biolink:OntologyClass apical-basal axis relative to substrate An axis that extends through an organism or organism part from the part of the organism or organism part attached to a substrate (basal) to the furthest from the attachment (apical). Note that the apical-basal axis is often used for organismal parts where there is attachment via a basal lamina or other structure. phenio.json apical/basal|longitudinal axis http://purl.obolibrary.org/obo/BSPO_0000014
BSPO:0000015 biolink:OntologyClass proximal-distal axis An axis that extends from the point of attachment of a structure (proximal) to the point furthest away from the plane of attachment (distal). phenio.json proximal/distal|proximodistal http://purl.obolibrary.org/obo/BSPO_0000015
BSPO:0000016 biolink:OntologyClass dorsal-ventral axis An axis that is approximately perpendicular to the anterior-posterior axis and that extends through the horizontal plane of the body. phenio.json D-V axis|DV axis|anterior-posterior axis|dorsoventral axis http://purl.obolibrary.org/obo/BSPO_0000016
BSPO:0000017 biolink:OntologyClass left-right axis An axis that bisects an organism from left to right sides of body, through a sagittal plane. phenio.json L-R axis|LR axis|R-L axis|RL axis|dextro-sinister axis|left to right axis|right to left axis|right-left axis http://purl.obolibrary.org/obo/BSPO_0000017
BSPO:0000018 biolink:OntologyClass transverse plane Anatomical plane that divides body into anterior and posterior parts. FMA:12247 phenio.json axial plane|axial section|cross-section|transverse section http://purl.obolibrary.org/obo/BSPO_0000018
BSPO:0000019 biolink:OntologyClass horizontal plane Anatomical plane that divides bilateral body into dorsal and ventral parts. FMA:52810 phenio.json coronal section|frontal plane|frontal section|horizontal anatomical plane|horizontal section http://purl.obolibrary.org/obo/BSPO_0000019
BSPO:0000026 biolink:OntologyClass antero-dorsal region Anatomical region that overlaps the anterior and dorsal regions of a body or body part. phenio.json anterodorsal region http://purl.obolibrary.org/obo/BSPO_0000026
BSPO:0000027 biolink:OntologyClass antero-ventral region Anatomical region that overlaps the anterior and ventral regions of a body or body part. phenio.json anteroventral region http://purl.obolibrary.org/obo/BSPO_0000027
BSPO:0000028 biolink:OntologyClass postero-lateral region Anatomical region that overlaps the posterior and lateral regions of the body or body part. phenio.json posterolateral region http://purl.obolibrary.org/obo/BSPO_0000028
BSPO:0000029 biolink:OntologyClass antero-lateral region Anatomical region that overlaps the anterior and lateral regions of a body or body part. phenio.json anterolateral region http://purl.obolibrary.org/obo/BSPO_0000029
BSPO:0000030 biolink:OntologyClass postero-dorsal region Anatomical region that overlaps the posterior and dorsal regions of the body or body part. phenio.json posterodorsal region http://purl.obolibrary.org/obo/BSPO_0000030
BSPO:0000031 biolink:OntologyClass upper region phenio.json http://purl.obolibrary.org/obo/BSPO_0000031
BSPO:0000034 biolink:OntologyClass superficial region Anatomical region superficially located on the body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000034
BSPO:0000035 biolink:OntologyClass postero-ventral region Anatomical region that overlaps the posterior and ventral regions of a body or body part. phenio.json posteroventral region http://purl.obolibrary.org/obo/BSPO_0000035
BSPO:0000036 biolink:OntologyClass anterior-most region phenio.json anterior-most|anteriormost http://purl.obolibrary.org/obo/BSPO_0000036
BSPO:0000037 biolink:OntologyClass posterior-most region phenio.json posterior-most|posteriormost http://purl.obolibrary.org/obo/BSPO_0000037
BSPO:0000038 biolink:OntologyClass dorsal-most region phenio.json dorsal-most|dorsalmost http://purl.obolibrary.org/obo/BSPO_0000038
BSPO:0000039 biolink:OntologyClass ventral-most region phenio.json ventral-most|ventralmost http://purl.obolibrary.org/obo/BSPO_0000039
BSPO:0000040 biolink:OntologyClass upper/lower compartment boundary phenio.json http://purl.obolibrary.org/obo/BSPO_0000040
BSPO:0000041 biolink:OntologyClass deep/superficial compartment boundary phenio.json http://purl.obolibrary.org/obo/BSPO_0000041
BSPO:0000042 biolink:OntologyClass antero-medial margin Anatomical margin that is located on the antero-medial region of the body or body part. phenio.json anteromedial margin http://purl.obolibrary.org/obo/BSPO_0000042
BSPO:0000043 biolink:OntologyClass apical/basal compartment boundary phenio.json http://purl.obolibrary.org/obo/BSPO_0000043
BSPO:0000044 biolink:OntologyClass proximal/distal compartment boundary phenio.json http://purl.obolibrary.org/obo/BSPO_0000044
BSPO:0000045 biolink:OntologyClass antero-lateral margin Anatomical margin that is located on the antero-lateral region of the body or body part. phenio.json anterolateral margin http://purl.obolibrary.org/obo/BSPO_0000045
BSPO:0000046 biolink:OntologyClass postero-medial margin Anatomical margin that is located on the postero-medial region of the body or body part. phenio.json posteromedial margin http://purl.obolibrary.org/obo/BSPO_0000046
BSPO:0000047 biolink:OntologyClass postero-lateral margin Anatomical margin that is located on the postero-lateral region of the body or body part. phenio.json posterolateral margin http://purl.obolibrary.org/obo/BSPO_0000047
BSPO:0000048 biolink:OntologyClass dorso-medial margin Anatomical margin that is located on the dorso-medial region of the body or body part. phenio.json dorso-medial margin http://purl.obolibrary.org/obo/BSPO_0000048
BSPO:0000049 biolink:OntologyClass ventro-medial margin Anatomical margin that is located on the ventro-medial region of the body or body part. phenio.json ventromedial margin http://purl.obolibrary.org/obo/BSPO_0000049
BSPO:0000050 biolink:OntologyClass antero-medial region Anatomical region that overlaps the anterior and medial regions of the body or body part. phenio.json anteromedial region http://purl.obolibrary.org/obo/BSPO_0000050
BSPO:0000054 biolink:OntologyClass anatomical side An anatomical region bounded by a plane perpendicular to an axis through the middle. FBql:00005841 phenio.json http://purl.obolibrary.org/obo/BSPO_0000054
BSPO:0000055 biolink:OntologyClass anterior side An anatomical region that is the entire part of an anatomical structure anterior to a transverse plane and bounded on one side by the same transverse plane. FBcv:0000053|FBql:00005848 phenio.json anterior|rostral http://purl.obolibrary.org/obo/BSPO_0000055
BSPO:0000056 biolink:OntologyClass posterior side An anatomical region that is the entire part of an anatomical structure posterior to a transverse plane and bounded on one side by the same transverse plane. FBcv:0000065|FBql:00005849 phenio.json caudal|posterior http://purl.obolibrary.org/obo/BSPO_0000056
BSPO:0000057 biolink:OntologyClass apical side Anatomical side that is located on the apical end of an organism or structure. FBcv:0000054|FBql:00005854 phenio.json apical http://purl.obolibrary.org/obo/BSPO_0000057
BSPO:0000058 biolink:OntologyClass basal side Anatomical side that is located on the basal end of an organism or structure. FBcv:0000055|FBql:00005855 phenio.json basal http://purl.obolibrary.org/obo/BSPO_0000058
BSPO:0000059 biolink:OntologyClass central side Anatomical side that is centrally located on an organism or structure. FBcv:0000056|FBql:00015851 phenio.json central http://purl.obolibrary.org/obo/BSPO_0000059
BSPO:0000060 biolink:OntologyClass contralateral side On the opposite side. FBcv:0000057|FBql:00005851 phenio.json contralateral http://purl.obolibrary.org/obo/BSPO_0000060
BSPO:0000061 biolink:OntologyClass proximal side FBcv:0000066|FBql:00005852 phenio.json proximal http://purl.obolibrary.org/obo/BSPO_0000061
BSPO:0000062 biolink:OntologyClass distal side Anatomical side that is distally located on an organism or structure. FBcv:0000058|FBql:00005853 phenio.json distal http://purl.obolibrary.org/obo/BSPO_0000062
BSPO:0000063 biolink:OntologyClass dorsal side An anatomical region that is the entire part of an anatomical structure dorsal to a horizontal plane and bounded on one side by the same transverse plane. FBcv:0000059|FBql:00005842 phenio.json dorsal http://purl.obolibrary.org/obo/BSPO_0000063
BSPO:0000064 biolink:OntologyClass postero-medial region Anatomical region that overlaps the posterior and medial regions of the body or body part. phenio.json posteromedial region http://purl.obolibrary.org/obo/BSPO_0000064
BSPO:0000065 biolink:OntologyClass ipsilateral side On the same side FBcv:0000062|FBql:00005850 phenio.json ipsilateral http://purl.obolibrary.org/obo/BSPO_0000065
BSPO:0000066 biolink:OntologyClass lateral side FBcv:0000063|FBql:00005844 phenio.json lateral http://purl.obolibrary.org/obo/BSPO_0000066
BSPO:0000067 biolink:OntologyClass medial side FBcv:0000064|FBql:00005847 phenio.json medial http://purl.obolibrary.org/obo/BSPO_0000067
BSPO:0000068 biolink:OntologyClass ventral side An anatomical region that is the entire part of an anatomical structure ventral to a horizontal plane and bounded on one side by the same horizontal plane. FBcv:0000070|FBql:00005843 phenio.json ventral http://purl.obolibrary.org/obo/BSPO_0000068
BSPO:0000069 biolink:OntologyClass dorso-medial region Anatomical region that overlaps the dorsal and medial regions of the body or body part. phenio.json dorsomedial region http://purl.obolibrary.org/obo/BSPO_0000069
BSPO:0000070 biolink:OntologyClass anatomical region A 3D region in space without well-defined compartmental boundaries; for example, the dorsal region of an ectoderm. FBql:00005841 phenio.json http://purl.obolibrary.org/obo/BSPO_0000070
BSPO:0000071 biolink:OntologyClass anterior region Anatomical region anteriorly located on the body or body part. FBql:00005848 phenio.json http://purl.obolibrary.org/obo/BSPO_0000071
BSPO:0000072 biolink:OntologyClass posterior region Anatomical region posteriorly located on the body or body part. FBql:00005849 phenio.json http://purl.obolibrary.org/obo/BSPO_0000072
BSPO:0000073 biolink:OntologyClass apical region Anatomical region located on the apical end on the body or body part. FBql:00005854 phenio.json http://purl.obolibrary.org/obo/BSPO_0000073
BSPO:0000074 biolink:OntologyClass basal region Anatomical region located basally on the body or body part. FBql:00005855 phenio.json http://purl.obolibrary.org/obo/BSPO_0000074
BSPO:0000075 biolink:OntologyClass central region Anatomical region centrally located on the body or body part. FBql:00015851 phenio.json http://purl.obolibrary.org/obo/BSPO_0000075
BSPO:0000076 biolink:OntologyClass contralateral region FBql:00005851 phenio.json http://purl.obolibrary.org/obo/BSPO_0000076
BSPO:0000077 biolink:OntologyClass proximal region Anatomical region proximally located on the body or body part. FBql:00005852 phenio.json http://purl.obolibrary.org/obo/BSPO_0000077
BSPO:0000078 biolink:OntologyClass distal region Anatomical region distally located on the body or body part. FBql:00005853 phenio.json http://purl.obolibrary.org/obo/BSPO_0000078
BSPO:0000079 biolink:OntologyClass dorsal region Anatomical region dorsally located on the body or body part. FBql:00005842 phenio.json http://purl.obolibrary.org/obo/BSPO_0000079
BSPO:0000080 biolink:OntologyClass dorso-lateral region Anatomical region that overlaps the dorsal and lateral regions of a body or body part. FBql:00005845 phenio.json dorsolateral region http://purl.obolibrary.org/obo/BSPO_0000080
BSPO:0000081 biolink:OntologyClass ipsilateral region FBql:00005850 phenio.json http://purl.obolibrary.org/obo/BSPO_0000081
BSPO:0000082 biolink:OntologyClass lateral region Anatomical region laterally located on the body or body part. FBql:00005844 phenio.json http://purl.obolibrary.org/obo/BSPO_0000082
BSPO:0000083 biolink:OntologyClass medial region Anatomical region medially located on the body or body part. FBql:00005847 phenio.json http://purl.obolibrary.org/obo/BSPO_0000083
BSPO:0000084 biolink:OntologyClass ventral region Anatomical region ventrally located on the body or body part. FBql:00005843 phenio.json http://purl.obolibrary.org/obo/BSPO_0000084
BSPO:0000085 biolink:OntologyClass ventro-lateral region Anatomical region that overlaps the ventral and lateral regions of a body or body part. FBql:00005846 phenio.json ventrolateral region http://purl.obolibrary.org/obo/BSPO_0000085
BSPO:0000086 biolink:OntologyClass anatomical compartment FBql:00005873|FMA:9647 phenio.json http://purl.obolibrary.org/obo/BSPO_0000086
BSPO:0000087 biolink:OntologyClass anterior compartment FBcv:0000031|FBql:00005874 phenio.json http://purl.obolibrary.org/obo/BSPO_0000087
BSPO:0000088 biolink:OntologyClass compartment boundary FBcv:0000032|FBql:00005878 phenio.json http://purl.obolibrary.org/obo/BSPO_0000088
BSPO:0000089 biolink:OntologyClass dorsal compartment FBcv:0000035|FBql:00005876 phenio.json http://purl.obolibrary.org/obo/BSPO_0000089
BSPO:0000092 biolink:OntologyClass anatomical compartment boundary FBql:00005881 phenio.json http://purl.obolibrary.org/obo/BSPO_0000092
BSPO:0000093 biolink:OntologyClass anterior/posterior compartment boundary FBcv:0000033|FBql:00005880 phenio.json http://purl.obolibrary.org/obo/BSPO_0000093
BSPO:0000112 biolink:OntologyClass ventro-medial region The region corresponding to the ventral region of the entity, towards the midline. phenio.json medioventral region|ventromedial region http://purl.obolibrary.org/obo/BSPO_0000112
BSPO:0000127 biolink:OntologyClass peripheral region Anatomical region peripherally located on the body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000127
BSPO:0000128 biolink:OntologyClass axial region phenio.json http://purl.obolibrary.org/obo/BSPO_0000128
BSPO:0000129 biolink:OntologyClass peripheral side phenio.json http://purl.obolibrary.org/obo/BSPO_0000129
BSPO:0000130 biolink:OntologyClass axial side phenio.json http://purl.obolibrary.org/obo/BSPO_0000130
BSPO:0000195 biolink:OntologyClass adaxial-abaxial axis An anatomical axis that extends from the side of the anatomical entity that is closer to an axis (adaxial) to the side that is further from the same axis (abaxial). phenio.json AA axis|dorsal-ventral axis http://purl.obolibrary.org/obo/BSPO_0000195
BSPO:0000196 biolink:OntologyClass medial-external axis An anatomical axis that extends from the center of the body outwards or externally. phenio.json proximal-distal axis http://purl.obolibrary.org/obo/BSPO_0000196
BSPO:0000199 biolink:OntologyClass animal-vegetal axis An axis that extends from the animal end of an egg or early embryo to the opposite, vegetal end. In animals with yolk-bearing eggs, the vegetal end is the yolk bearing pole. (pertains to animals only - both vertebrate and invertebrate embryos). phenio.json A-V axis|AV axis|animal/vegetal axis http://purl.obolibrary.org/obo/BSPO_0000199
BSPO:0000202 biolink:OntologyClass radial plane Anatomical plane that follows the two dimensions specified by an apical-basal axis relative to direction of growth and a medial-lateral axis. phenio.json http://purl.obolibrary.org/obo/BSPO_0000202
BSPO:0000371 biolink:OntologyClass anterior surface Anatomical surface that is located on the anterior side of the body or body part. FBql:00005848 phenio.json http://purl.obolibrary.org/obo/BSPO_0000371
BSPO:0000372 biolink:OntologyClass posterior surface Anatomical surface that is located on the posterior side of the body or body part. FBql:00005849 phenio.json http://purl.obolibrary.org/obo/BSPO_0000372
BSPO:0000373 biolink:OntologyClass apical surface Anatomical surface that is located on the apical side of the body or body part. FBql:00005854 phenio.json http://purl.obolibrary.org/obo/BSPO_0000373
BSPO:0000374 biolink:OntologyClass basal surface Anatomical surface that is located on the basal side of the body or body part. FBql:00005855 phenio.json http://purl.obolibrary.org/obo/BSPO_0000374
BSPO:0000376 biolink:OntologyClass contralateral surface FBql:00005851 phenio.json http://purl.obolibrary.org/obo/BSPO_0000376
BSPO:0000377 biolink:OntologyClass proximal surface Anatomical surface that is located on the proximal side of the body or body part. FBql:00005852 phenio.json http://purl.obolibrary.org/obo/BSPO_0000377
BSPO:0000378 biolink:OntologyClass distal surface Anatomical surface that is located on the distal side of the body or body part. FBql:00005853 phenio.json http://purl.obolibrary.org/obo/BSPO_0000378
BSPO:0000379 biolink:OntologyClass dorsal surface Anatomical surface that located on the dorsal side of the body or body part. FBql:00005842 phenio.json http://purl.obolibrary.org/obo/BSPO_0000379
BSPO:0000381 biolink:OntologyClass ipsilateral surface Anatomical surface that is located on the same side of an organism or structure. FBql:00005850 phenio.json http://purl.obolibrary.org/obo/BSPO_0000381
BSPO:0000382 biolink:OntologyClass lateral surface Anatomical surface that located on the lateral side of the body or body part. FBql:00005844 phenio.json http://purl.obolibrary.org/obo/BSPO_0000382
BSPO:0000383 biolink:OntologyClass medial surface Anatomical surface that located on the medial side of the body or body part. FBql:00005847 phenio.json http://purl.obolibrary.org/obo/BSPO_0000383
BSPO:0000384 biolink:OntologyClass ventral surface Anatomical surface that is located on the ventral side of the body or body part. FBql:00005843 phenio.json http://purl.obolibrary.org/obo/BSPO_0000384
BSPO:0000400 biolink:OntologyClass anatomical plane A flat 2D plane intersecting an anatomical continuant, dividing it into two adjacent portions. FMA:242982 phenio.json anatomical cross-section|anatomical section|cross-section|plane|section http://purl.obolibrary.org/obo/BSPO_0000400
BSPO:0000417 biolink:OntologyClass sagittal plane Anatomical plane that divides a bilateral body into left and right parts, not necessarily of even size. FMA:11361 phenio.json left/right plane|median plane|sagittal section http://purl.obolibrary.org/obo/BSPO_0000417
BSPO:0000671 biolink:OntologyClass anterior margin Anatomical margin that is located on the anterior side of a body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000671
BSPO:0000672 biolink:OntologyClass posterior margin Anatomical margin that is located on the posterior side of the body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000672
BSPO:0000673 biolink:OntologyClass apical margin Anatomical margin that is located on the apical side of the body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000673
BSPO:0000674 biolink:OntologyClass basal margin Anatomical margin that is located on the basal side of the body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000674
BSPO:0000677 biolink:OntologyClass proximal margin Anatomical margin that is located on the proximal region of the body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000677
BSPO:0000678 biolink:OntologyClass distal margin Anatomical margin that is located on the distal side of the body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000678
BSPO:0000679 biolink:OntologyClass dorsal margin Anatomical margin that is located on the dorsal side of body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000679
BSPO:0000680 biolink:OntologyClass dorso-lateral margin Anatomical margin that is located on the dorso-lateral region of the body or body part. phenio.json dorsolateral margin http://purl.obolibrary.org/obo/BSPO_0000680
BSPO:0000682 biolink:OntologyClass lateral margin Anatomical margin that is located on the lateral side of the body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000682
BSPO:0000683 biolink:OntologyClass medial margin Anatomical margin that is located on the medial side of the body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000683
BSPO:0000684 biolink:OntologyClass ventral margin Anatomical margin that is located on the ventral side of the body or body part. phenio.json http://purl.obolibrary.org/obo/BSPO_0000684
BSPO:0000685 biolink:OntologyClass ventro-lateral margin Anatomical margin that is located on the ventro-lateral region of the body or body part. phenio.json ventrolateral margin http://purl.obolibrary.org/obo/BSPO_0000685
BSPO:0000686 biolink:OntologyClass antero-dorsal margin Anatomical margin that is located on the antero-dorso region of the body or body part. phenio.json anterodorsal margin http://purl.obolibrary.org/obo/BSPO_0000686
BSPO:0000687 biolink:OntologyClass postero-dorsal margin Anatomical margin that is located on the postero-dorsal region of the body or body part. phenio.json posterodorsal margin http://purl.obolibrary.org/obo/BSPO_0000687
BSPO:0000688 biolink:OntologyClass antero-ventral margin Anatomical margin that is located on the antero-ventral region of the body or body part. phenio.json anteroventral margin http://purl.obolibrary.org/obo/BSPO_0000688
BSPO:0000689 biolink:OntologyClass postero-ventral margin Anatomical margin that is located on the postero-ventral region of the body or body part. phenio.json posteroventral margin http://purl.obolibrary.org/obo/BSPO_0000689
BSPO:0001001 biolink:OntologyClass medial-lateral axis An axis that extends from the center of organism to one or other side. http://upload.wikimedia.org/wikipedia/commons/3/34/Anatomical_Directions_and_Axes.JPG phenio.json M-L axis|ML axis|medio-lateral axis|mediolateral axis|proximal-distal axis http://purl.obolibrary.org/obo/BSPO_0001001
CHEBI:100147 biolink:ChemicalSubstance nalidixic acid A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species. CAS:389-08-2|DrugBank:DB00779|Drug_Central:1875|KEGG:C05079|KEGG:D00183|LINCS:LSM-5590|PDBeChem:NIX|PMID:11321869|PMID:12002106|PMID:12399485|PMID:12702698|PMID:14107587|PMID:16107187|PMID:16423473|PMID:16667857|PMID:16803589|PMID:17132068|PMID:17631104|PMID:18788798|PMID:19071706|PMID:28166217|Patent:BE612258|Patent:US3590036|Reaxys:750515|VSDB:1880|Wikipedia:Nalidixic_Acid phenio.json 1,4-dihydro-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid|1-Aethyl-7-methyl-1,8-naphthyridin-4-on-3-karbonsaeure|1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid|1-ethyl-1,4-dihydro-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid|1-ethyl-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one-3-carboxylic acid|1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid|3-carboxy-1-ethyl-7-methyl-1,8-naphthyridin-4-one|NALIDIXIC ACID|Nalidixic acid|acide nalidixique|acido nalidixico|acidum nalidixicum|nalidixic acid http://purl.obolibrary.org/obo/CHEBI_100147 3_STAR
CHEBI:10022 biolink:ChemicalSubstance deoxynivalenol A trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination. CAS:51481-10-8|Chemspider:36584|KEGG:C09747|KNApSAcK:C00003201|LIPID_MAPS_instance:LMPR0103180002|PMID:28780485|PMID:30284112|PMID:30714884|PMID:30760085|PMID:30802751|PMID:30806951|PMID:30841652|PMID:31394401|PMID:31817218|PMID:31867960|PMID:31960350|PMID:32218143|PMID:32260237|PMID:32560237|PMID:32745571|PMID:32805342|PMID:32851525|PMID:32880717|PMID:32930227|Wikipedia:Vomitoxin phenio.json 3alpha,7alpha,15-trihydroxy-12,13-epoxytrichothec-9-en-8-one|4-Deoxynivalenol|4-Desoxynivalenol|DON|Dehydronivalenol|Desoxynivalenol|Vomitoxin http://purl.obolibrary.org/obo/CHEBI_10022 3_STAR
CHEBI:10023 biolink:ChemicalSubstance voriconazole A triazole-based antifungal agent used for the treatment of esophageal candidiasis, invasive pulmonary aspergillosis, and serious fungal infections caused by Scedosporium apiospermum and Fusarium spp. It is an inhibitor of cytochrome P450 2C9 (CYP2C9) and CYP3A4. Beilstein:7694998|CAS:137234-62-9|DrugBank:DB00582|Drug_Central:2846|KEGG:C07622|KEGG:D00578|LINCS:LSM-5244|PMID:12940129|PMID:22718362|PMID:23392902|PMID:23527908|PMID:23766489|PMID:24102553|Patent:EP440372|Patent:US5278175|Wikipedia:Voriconazole phenio.json (2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|(R-(R*,S*))-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol|(alphaR,betaS)-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol|VCZ|Vfend|voriconazol|voriconazole|voriconazolum http://purl.obolibrary.org/obo/CHEBI_10023 3_STAR
CHEBI:100241 biolink:ChemicalSubstance ciprofloxacin A quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. CAS:85721-33-1|DrugBank:DB00537|Drug_Central:659|HMDB:HMDB0014677|KEGG:C05349|KEGG:D00186|LINCS:LSM-5226|PDBeChem:CPF|PMID:10397494|PMID:10737746|Patent:DE3142854|Patent:US4670444|Reaxys:3568352|VSDB:1763|Wikipedia:Ciprofloxacin phenio.json 1-CYCLOPROPYL-6-FLUORO-4-OXO-7-PIPERAZIN-1-YL-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID|1-Cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid|1-Cyclopropyl-6-fluoro-7-(4-methyl-piperazin-1-yl)-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid|1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid|1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid|1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid|1-cyclopropyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid|Ciprofloxacin|ciprofloxacin|ciprofloxacine|ciprofloxacino|ciprofloxacinum http://purl.obolibrary.org/obo/CHEBI_100241 3_STAR
CHEBI:100246 biolink:ChemicalSubstance norfloxacin A quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action depends on blocking of bacterial DNA replication by binding itself to an enzyme called DNA gyrase. CAS:70458-96-7|DrugBank:DB01059|Drug_Central:1967|Gmelin:1576626|HMDB:HMDB0015192|KEGG:C06687|KEGG:D00210|LINCS:LSM-5286|PMID:3317294|PMID:3908074|PMID:6211142|PMID:6224685|PMID:6234465|PMID:6454381|PMID:6461606|Patent:BE863429|Patent:DE2840910|Patent:US4146719|Patent:US4292317|Reaxys:567897|VSDB:1831|Wikipedia:Norfloxacin phenio.json 1,4-Dihydro-1-ethyl-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid|1-Ethyl-6-fluor-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-chinolincarbonsaeure|1-Ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid|1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid|NFLX|norfloxacin|norfloxacine|norfloxacino|norfloxacinum http://purl.obolibrary.org/obo/CHEBI_100246 3_STAR
CHEBI:10033 biolink:ChemicalSubstance warfarin A racemate comprising equal amounts of (R)- and (S)-warfarin. Extensively used as both an anticoagulant drug and as a pesticide against rats and mice. CAS:81-81-2|DrugBank:DB00682|FooDB:FDB022750|HMDB:HMDB0001935|KEGG:C01541|KEGG:D08682|LINCS:LSM-1405|PMCID:PMC10207235|PMID:13358873|PMID:15578879|PMID:18294321|PMID:19294412|PMID:24478171|PMID:24973057|PMID:25022924|PMID:25023204|PMID:25393417|PMID:25466603|PMID:25534862|PMID:25537751|PMID:25555316|PMID:25683623|PMID:25757926|PMID:25823787|PMID:25828628|PMID:25830869|PMID:25842804|PMID:25845131|PMID:25986145|PMID:26114209|PMID:26142522|PMID:26142525|PMID:26203765|PMID:26238769|PMID:37359384|PMID:37648560|PMID:37755126|PPDB:681|Patent:US2427578|Patent:US2765321|Patent:US2777859|Patent:US3239529|Pesticides:warfarin|Reaxys:1293536|Wikipedia:Warfarin phenio.json (+-)-warfarin|(RS)-warfarin|4-hydroxy-3-[(1RS)-3-oxo-1-phenylbutyl]-2H-1-benzopyran-2-one|4-hydroxy-3-[(1RS)-3-oxo-1-phenylbutyl]-2H-chromen-2-one|4-hydroxy-3-[(1RS)-3-oxo-1-phenylbutyl]coumarin|Brumolin|Coumafene|DL-3-(alpha-acetonylbenzyl)-4-hydroxycoumarin|DL-warfarin|Kumadu|Kumatox|Ratron|Rodafarin|Warf 10|Zoocoumarin|rac-1-(4'-hydroxy-3'-coumarinyl)-1-phenyl-3-butanone|rac-3-(1'-phenyl-2'-acetylethyl)-4-hydroxycoumarin|rac-3-(acetonylbenzyl)-4-hydroxycoumarin|rac-3-(alpha-acetonylbenzyl)-4-hydroxycoumarin|rac-3-(alpha-phenyl-beta-acetylethyl)-4-hydroxycoumarin|rac-4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one|rac-4-hydroxy-3-(3-oxo-1-phenylbutyl)coumarin|rac-warfarin|racemic warfarin|warfarin|warfarina|warfarine|warfarinum http://purl.obolibrary.org/obo/CHEBI_10033 3_STAR
CHEBI:10036 biolink:ChemicalSubstance wax ester A fatty acid ester resulting from the condensation of the carboxy group of a fatty acid with the alcoholic hydroxy group of a fatty alcohol. KEGG:C01629|MetaCyc:Wax-Esters|PMID:12831900|PMID:17750349|PMID:18821728|PMID:21247555|PMID:21256496|PMID:21961954|PMID:22058425|PMID:22685145|PMID:22878160|PMID:23087036|PMID:23109878|PMID:23196873|PMID:23272127|Wikipedia:Wax_ester phenio.json Wax esters|a wax ester http://purl.obolibrary.org/obo/CHEBI_10036 3_STAR
CHEBI:10037 biolink:ChemicalSubstance wedelolactone A member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3. CAS:524-12-9|KEGG:C10541|KNApSAcK:C00002585|LIPID_MAPS_instance:LMPK12090046|PMID:21315506|PMID:21463376|PMID:22198514|PMID:22204306|PMID:23076676|PMID:23141142|Reaxys:332398|Wikipedia:Wedelolactone phenio.json 1,8,9-trihydroxy-3-methoxy-6H-[1]benzofuro[3,2-c]chromen-6-one|1,8,9-trihydroxy-3-methoxycoumestan|Wedelolactone http://purl.obolibrary.org/obo/CHEBI_10037 3_STAR
CHEBI:10043 biolink:ChemicalSubstance wogonin A dihydroxy- and monomethoxy-flavone in which the hydroxy groups are positioned at C-5 and C-7 and the methoxy group is at C-8. CAS:632-85-9|KEGG:C10197|KNApSAcK:C00001111|LIPID_MAPS_instance:LMPK12111330|MetaCyc:CPD-12727|PMID:10724177|PMID:11322923|PMID:19438509|PMID:22419433|PMID:23371323|Reaxys:287152|Wikipedia:Wogonin phenio.json 5,7-Dihydroxy-8-methoxyflavone|5,7-dihydroxy-8-methoxy-2-phenyl-4H-1-benzopyran-4-one|5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one|Norwogonin 8-methyl ether|Wogonin http://purl.obolibrary.org/obo/CHEBI_10043 3_STAR
CHEBI:10044 biolink:ChemicalSubstance Wuweizisu C CAS:61301-33-5|KEGG:C10893|KNApSAcK:C00002634 phenio.json Schizandrin C|Wuweizisu C http://purl.obolibrary.org/obo/CHEBI_10044 2_STAR
CHEBI:10049 biolink:ChemicalSubstance XTP The xanthosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. CAS:6253-56-1|KEGG:C00700 phenio.json O(5')-(tetrahydroxytriphosphoryl)xanthosine|XTP|Xanthosine 5'-triphosphate|Xanthosine triphosphate|triphopsphoric acid 1-xanthosin-5'-yl ester|xanthosine 5'-(tetrahydrogen triphosphate) http://purl.obolibrary.org/obo/CHEBI_10049 3_STAR
CHEBI:10055 biolink:ChemicalSubstance Xamoterol CAS:81801-12-9|Drug_Central:2848|KEGG:C11775|KEGG:D06328 phenio.json Xamoterol|xamoterol fumarate|xamoterol hemifumarate http://purl.obolibrary.org/obo/CHEBI_10055 2_STAR
CHEBI:10056 biolink:ChemicalSubstance xanomeline Beilstein:5480228|CAS:131986-45-3|Drug_Central:3652|KEGG:C11767|KEGG:D06330|Patent:EP384288|Patent:US5043345|Patent:WO9429303 phenio.json 5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine|LY 246708|Xanomeline|xanomeline http://purl.obolibrary.org/obo/CHEBI_10056 3_STAR
CHEBI:10058 biolink:ChemicalSubstance Xanthatin CAS:26791-73-1|KEGG:C09601|KNApSAcK:C00003394 phenio.json Xanthatin http://purl.obolibrary.org/obo/CHEBI_10058 2_STAR
CHEBI:10082 biolink:ChemicalSubstance Xylometazoline CAS:526-36-3|Drug_Central:3658|HMDB:HMDB0015640|KEGG:C07913|KEGG:D08684|LINCS:LSM-5262 phenio.json Xylometazoline|otrivine|rhinoxilin|xylometazoline HCl|xylometazoline hydrochloride http://purl.obolibrary.org/obo/CHEBI_10082 2_STAR
CHEBI:10089 biolink:ChemicalSubstance Yangonin CAS:500-62-9|HMDB:HMDB0034144|KEGG:C09980|KNApSAcK:C00003024 phenio.json 4-Methoxy-6-[2-(4-methoxyphenyl)ethenyl]-2H-pyran-2-one|Yangonin http://purl.obolibrary.org/obo/CHEBI_10089 2_STAR
CHEBI:10093 biolink:ChemicalSubstance yohimbine An indole alkaloid with alpha2-adrenoceptor antagonist activity. It is produced by Corynanthe johimbe and Rauwolfia serpentina. Beilstein:4720812|Beilstein:97276|CAS:146-48-5|DrugBank:DB01392|Drug_Central:3659|KEGG:C09256|KEGG:D08685|KNApSAcK:C00001789|LINCS:LSM-2779|VSDB:3010 phenio.json (+)-yohimbine|(16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester|17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester|Johimbin|Quebrachin|Yohimbin|Yohimbine|aphrodine|corynine|methyl 17alpha-hydroxyyohimban-16alpha-carboxylate|quebrachine|yohimbic acid methyl ester http://purl.obolibrary.org/obo/CHEBI_10093 3_STAR
CHEBI:10100 biolink:ChemicalSubstance zafirlukast CAS:107753-78-6|DrugBank:DB00549|Drug_Central:2855|HMDB:HMDB0014689|KEGG:C07206|KEGG:D00411|LINCS:LSM-5792|PMID:11888331|PMID:19331987|PMID:22159431|PMID:22614107|PMID:24258705|PMID:25798389|PMID:25834030|Reaxys:3641829|Wikipedia:Zafirlukast phenio.json 4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide|Accolate|cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate|cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate|zafirlukast http://purl.obolibrary.org/obo/CHEBI_10100 3_STAR
CHEBI:10101 biolink:ChemicalSubstance zalcitabine A pyrimidine 2',3'-dideoxyribonucleoside compound having cytosine as the nucleobase. CAS:7481-89-2|DrugBank:DB00943|Drug_Central:2856|HMDB:HMDB0015078|KEGG:C07207|KEGG:D00412|LINCS:LSM-5915|PMID:11905988|PMID:7727578|Reaxys:654956|Wikipedia:Zalcitabine phenio.json 2',3'-Dideoxycytidine|2',3'-dideoxycytidine|4-amino-1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one|DDC|DDCYD|Dideoxycytidine|zalcitabine http://purl.obolibrary.org/obo/CHEBI_10101 3_STAR
CHEBI:10102 biolink:ChemicalSubstance zaleplon A pyrazolo[1,5-a]pyrimidine having a nitrile group at position 3 and a 3-(N-ethylacetamido)phenyl substituent at the 7-position. Beilstein:8153844|CAS:151319-34-5|DrugBank:DB00962|Drug_Central:2857|KEGG:C07484|KEGG:D00530|LINCS:LSM-5971|Patent:US4626538|Wikipedia:Zaleplon phenio.json 3'-(3-Cyanopyrazolo(1,5-a)pyrimidin-7-yl)-N-ethylacetanilide|N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide|zaleplon http://purl.obolibrary.org/obo/CHEBI_10102 3_STAR
CHEBI:10106 biolink:ChemicalSubstance zearalenone A macrolide comprising a fourteen-membered lactone fused to 1,3-dihydroxybenzene; a potent estrogenic metabolite produced by some Giberella species. AGR:IND608145868|CAS:17924-92-4|KEGG:C09981|KNApSAcK:C00003025|LIPID_MAPS_instance:LMPK04000016|PMID:17339071|PMID:18027362|PMID:18221829|PMID:18280460|PMID:18692541|PMID:20654554|PMID:38449531|Reaxys:4875541 phenio.json (-)-Zearalenone|(10S)-Zearalenone|(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione|(S)-(-)-Zearalenone|(S)-Zearalenone|(S-(E))-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-methyl-1H-2-benzoxacyclotetradecin-1,7(8H)-dione|6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid lactone|trans-Zearalenone|zearalenone http://purl.obolibrary.org/obo/CHEBI_10106 3_STAR
CHEBI:101096 biolink:ChemicalSubstance ethoxzolamide A sulfonamide that is 1,3-benzothiazole-2-sulfonamide which is substituted by an ethoxy group at position 6. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic. CAS:452-35-7|DrugBank:DB00311|Drug_Central:1089|KEGG:D02441|LINCS:LSM-18787|PMID:10411484|PMID:11087579|PMID:11123998|PMID:11906288|PMID:12039560|PMID:12617903|PMID:12617904|PMID:12643899|PMID:12747790|PMID:12747791|PMID:14611846|PMID:14640555|PMID:14684333|PMID:14971907|PMID:15081039|PMID:15139757|PMID:15149691|PMID:15454239|PMID:15456265|PMID:15501039|PMID:15546717|PMID:15603956|PMID:15664816|PMID:15686894|PMID:15686895|PMID:15686931|PMID:15771455|PMID:15837316|PMID:15837325|PMID:15905091|PMID:15908201|PMID:15908204|PMID:16033263|PMID:16039848|PMID:16039853|PMID:16165351|PMID:16168653|PMID:16302824|PMID:16459077|PMID:16539401|PMID:16809036|PMID:16942027|PMID:17064072|PMID:17125255|PMID:17157501|PMID:17228881|PMID:17251018|PMID:17276072|PMID:17343373|PMID:17475500|PMID:17482815|PMID:17540563|PMID:17588751|PMID:17646100|PMID:17681760|PMID:17826101|PMID:18042384|PMID:18242985|PMID:18307288|PMID:18359629|PMID:18374572|PMID:18513964|PMID:2585443|PMID:2810337|PMID:6737424|Patent:GB795174|Patent:US2868800|Wikipedia:Ethoxzolamide phenio.json 6-Ethoxy-benzothiazole-2-sulfonic acid amide|6-ethoxy-1,3-benzothiazole-2-sulfonamide|6-ethoxy-2-benzothiazolesulfonamide|6-ethoxybenzothiazole-2-sulfonamide|ETHOXZOLAMIDE|ethoxazolamide|ethoxyzolamide http://purl.obolibrary.org/obo/CHEBI_101096 3_STAR
CHEBI:10110 biolink:ChemicalSubstance zidovudine A pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase. Beilstein:763034|CAS:30516-87-1|DrugBank:DB00495|Drug_Central:2861|KEGG:C07210|KEGG:D00413|LINCS:LSM-5806|MetaCyc:CPD-15110|PDBeChem:AZZ|PMID:19112024|PMID:26859826|PMID:29438107|PMID:9203666|Patent:US4724232|Wikipedia:Zidovudine phenio.json 3'-azido-3'-deoxythymidine|AZT|Azidothymidine|Retrovir|Zidovudin|Zidovudinum|zidovudine http://purl.obolibrary.org/obo/CHEBI_10110 3_STAR
CHEBI:10112 biolink:ChemicalSubstance zileuton A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogen at position 2 is replaced by a 1-[carbamoyl(hydroxy)amino]ethyl group. A selective 5-lipoxygenase inhibitor, it inhibits the formation of leukotrienes LTB4, LTC4, LDT4, and LTE4. It is used for the management of chronic asthma. CAS:111406-87-2|DrugBank:DB00744|Drug_Central:2862|KEGG:D00414|LINCS:LSM-5084|PMID:19309543|PMID:19645854|PMID:20204486|PMID:20436887|Reaxys:4869674|Wikipedia:Zileuton phenio.json (+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea|1-[1-(1-benzothien-2-yl)ethyl]-1-hydroxyurea|Leutrol|N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea|N-[1-(benzo[b]thiophen-2-yl)ethyl]-N-hydroxyurea|Zileuton|Zyflo|zileuton|zileutonum http://purl.obolibrary.org/obo/CHEBI_10112 3_STAR
CHEBI:10115 biolink:ChemicalSubstance zingiberene 2-Methylcyclohexa-1,3-diene in which a hydrogen at the 5 position is substituted (R configuration) by a 6-methyl-hept-5-en-2-yl group (S configuration). It is a sesquiterpene found in the dried rhizomes of Indonesian ginger, Zingiber officinale. Beilstein:2554989|CAS:495-60-3|KEGG:C09750|KNApSAcK:C00003204 phenio.json (-)-alpha-zingiberene|(-)-zingiberene|(5R)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene|(5R)-5-[(1S)-1,5-dimethyl-4-hexenyl]-2-methyl-1,3-cyclohexadiene|alpha-Zingiberene|alpha-zingiberene http://purl.obolibrary.org/obo/CHEBI_10115 3_STAR
CHEBI:10119 biolink:ChemicalSubstance ziprasidone A piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms. Beilstein:6669199|CAS:146939-27-7|DrugBank:DB00246|Drug_Central:2865|KEGG:C07568|KEGG:D08687|LINCS:LSM-5433|Patent:EP281309|Patent:US4831031|Wikipedia:Ziprasidone phenio.json 5-{2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl}-6-chloro-1,3-dihydro-2H-indol-2-one|Ziprasidone|ziprasidona|ziprasidone|ziprasidonum http://purl.obolibrary.org/obo/CHEBI_10119 3_STAR
CHEBI:10124 biolink:ChemicalSubstance zolmitriptan A member of the class of tryptamines that is N,N-dimethyltryptamine in which the hydrogen at position 5 of the indole ring has been replaced by a [(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl group. A serotonin 5-HT1 B and D receptor agonist, it is used for the treatment of migraine. Beilstein:7415010|CAS:139264-17-8|DrugBank:DB00315|Drug_Central:2869|KEGG:C07218|KEGG:D00415|LINCS:LSM-3208|Wikipedia:Zolmitriptan phenio.json (4S)-4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one|311C90|4-[[3-(2-dimethylaminoethyl)-1H-indol-5-yl]methyl]oxazolidin-2-one|Zipton|Zomig|Zomigoro|Zominat|zolmitriptan|zolmitriptanum http://purl.obolibrary.org/obo/CHEBI_10124 3_STAR
CHEBI:10125 biolink:ChemicalSubstance zolpidem An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position. Beilstein:4355785|CAS:82626-48-0|DrugBank:DB00425|Drug_Central:2870|KEGG:C07219|KEGG:D08690|LINCS:LSM-5560|Patent:EP50563|Patent:US4382938|Wikipedia:Zolpidem phenio.json N,N,6-Trimethyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine-3-acetamide|N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide|zolpidem|zolpidemum http://purl.obolibrary.org/obo/CHEBI_10125 3_STAR
CHEBI:10127 biolink:ChemicalSubstance zonisamide A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position. Beilstein:1077076|CAS:68291-97-4|DrugBank:DB00909|Drug_Central:2872|KEGG:C07504|KEGG:D00538|LINCS:LSM-3062|Patent:JP7877057|Patent:US4172896|Wikipedia:Zonisamide phenio.json 1,2-Benzisoxazole-3-methanesulfonamide|1-(1,2-benzisoxazol-3-yl)methanesulfonamide|3-(Sulfamoylmethyl)-1,2-benzisoxazole|Benzo[d]isoxazol-3-yl-methanesulfonamide|zonisamida|zonisamide|zonisamidum http://purl.obolibrary.org/obo/CHEBI_10127 3_STAR
CHEBI:101278 biolink:ChemicalSubstance diltiazem A 5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate in which both stereocentres have S configuration. A calcium-channel blocker and vasodilator, it is used as the hydrochloride in the management of angina pectoris and hypertension. CAS:42399-41-7|DrugBank:DB00343|Drug_Central:897|HMDB:HMDB0014487|KEGG:C06958|KEGG:D07845|LINCS:LSM-2523|PMID:11937779|PMID:16651034|PMID:19167257|PMID:23687551|PMID:24261918|PMID:25122162|PMID:8369596|Patent:DE1805714|Patent:DE3415035|Patent:US3562257|Patent:US4552695|Reaxys:3573079|VSDB:1863|Wikipedia:Diltiazem phenio.json (+)-cis-5-[2-(dimethylamino)ethyl]-2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one acetate ester|(2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate|(2S,3S)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-3-yl acetate|(2S-cis)-3-(acetyloxy)-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one|Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester|D-cis-diltiazem|d-cis-diltiazem|diltiazem|diltiazemum http://purl.obolibrary.org/obo/CHEBI_101278 3_STAR
CHEBI:10136 biolink:ChemicalSubstance gingerol A beta-hydroxy ketone that is 5-hydroxydecan-3-one substituted by a 4-hydroxy-3-methoxyphenyl moiety at position 1; believed to inhibit adipogenesis. It is a constituent of fresh ginger. CAS:23513-14-6|HMDB:HMDB0005783|KEGG:C10462|KNApSAcK:C00002748|LINCS:LSM-2569|MetaCyc:CPD-13494|PMID:22719783|PMID:23369342|PMID:23437345|PMID:23519881|Reaxys:5287467|Wikipedia:Gingerol phenio.json (+)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-decanone|(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one|(S)-(+)-[6]Gingerol|(S)-(6)-Gingerol|6-Gingerol|[6]-Gingerol http://purl.obolibrary.org/obo/CHEBI_10136 3_STAR
CHEBI:101381 biolink:ChemicalSubstance aloxistatin An L-leucine derivative that is the amide obtained by formal condensation of the carboxy group of (2S,3S)-3-(ethoxycarbonyl)oxirane-2-carboxylic acid with the amino group of N-(3-methylbutyl)-L-leucinamide. CAS:88321-09-9|PMID:26388830|Reaxys:5354546 phenio.json E 64d|E-64d|E64d|Ethyl (+)-(2S,3S)-2,3-epoxy-N-((S)-1-(isopentylcarbamoyl)-3-methylbutyl)succinamate|Loxistatin|aloxistatin|aloxistatina|aloxistatine|aloxistatinum|ethyl (2S,3S)-3-({(2S)-4-methyl-1-[(3-methylbutyl)amino]-1-oxopentan-2-yl}carbamoyl)oxirane-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_101381 3_STAR
CHEBI:1015 biolink:ChemicalSubstance 2-aminobenzenesulfonic acid An aminobenzenesulfonic acid carrying an amino group at position 2. CAS:88-21-1|Gmelin:241097|KEGG:C06333|MetaCyc:2-AMINOBENZENESULFONATE|PMID:20638913|PMID:23392615|Reaxys:1309204 phenio.json 1-aminobenzene-2-sulfonic acid|2-Aminobenzenesulfonic acid|2-aminobenzenesulfonic acid|2-sulfanilic acid|Orthanilic acid|aniline-o-sulfonic acid|aniline-o-sulphonic acid|o-Aminobenzenesulfonic acid|o-sulfanilic acid http://purl.obolibrary.org/obo/CHEBI_1015 3_STAR
CHEBI:101854 biolink:ChemicalSubstance talarozole A racemate comprising equimolar amounts of (R)- and (S)-talarozole. It is used for the treatment of keratinization disorders, psoriasis and acne. CAS:201410-53-9|KEGG:D09385|PMID:19120344|PMID:26921399|Reaxys:11737106|Wikipedia:Talarozole phenio.json (+-)-talarozole|(RS)-talarozole|N-(4-((1RS)-2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)benzothiazol-2-amine|N-(4-(2-Ethyl-1-(1H-1,2,4-triazol-1-yl)butyl)phenyl)-2-benzothiazolamine|R 115866|R115866|Rambazole|rac-N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine|talarozole http://purl.obolibrary.org/obo/CHEBI_101854 3_STAR
CHEBI:102029 biolink:ChemicalSubstance sorbinil An azaspiro compound having a monofluoro-substituted chromane skeleton spiro-linked to an imidazolidinedione ring. CAS:68367-52-2|DrugBank:DB02712|PDBeChem:SBI|PMID:10875546|PMID:10933817|PMID:11048957|PMID:11900277|PMID:18772236|PMID:19821053|PMID:20138035|PMID:20308528|PMID:20354121|PMID:21129963|PMID:29438107|PMID:7564101|PMID:7591626|PMID:8159110|PMID:8692029|PMID:9007520|PMID:9088040|PMID:9195881|PMID:9349546|Patent:DE2821966|Patent:US4130714|Reaxys:4297401|Wikipedia:Sorbinil phenio.json (4S)-6-fluoro-2,3-dihydro-2'H,5'H-spiro[chromene-4,4'-imidazolidine]-2',5'-dione|(S)-6-Fluorospiro(chroman-4,4'-imidazolidine)-2',5'-dione|sorbinil|sorbinilo|sorbinilum|sorbinol http://purl.obolibrary.org/obo/CHEBI_102029 3_STAR
CHEBI:102030 biolink:ChemicalSubstance (R)-talarozole An N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine that is the (R)-enantiomer of talarozole. The racemate is used for the treatment of keratinization disorders, psoriasis and acne. CAS:870093-23-5|Reaxys:10701600 phenio.json N-{4-[(1R)-2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine http://purl.obolibrary.org/obo/CHEBI_102030 3_STAR
CHEBI:10213 biolink:ChemicalSubstance alpha-amyrin A pentacyclic triterpenoid that is ursane which contains a double bond between positions 12 and 13 and in which the hydrogen at the 3beta position is substituted by a hydroxy group. CAS:638-95-9|KEGG:C08615|KNApSAcK:C00003737|LIPID_MAPS_instance:LMPR0106170001|MetaCyc:CPD-8250|PMID:10848960|PMID:15626726|PMID:15659316|PMID:18129592|PMID:19488928|PMID:21575133|Reaxys:1916550 phenio.json (3beta)-urs-12-en-3-ol|4,4,6a,6b,8a,11,12,14b-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-ol|5alpha-urs-12-en-3beta-ol|alpha-Amyrin|alpha-amyrenol|alpha-amyrin|alpha-amyrine|urs-12-ene-3beta-ol|viminalol http://purl.obolibrary.org/obo/CHEBI_10213 3_STAR
CHEBI:102131 biolink:ChemicalSubstance (S)-talarozole An N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine that is the (S)-enantiomer of talarozole. The racemate is used for the treatment of keratinization disorders, psoriasis and acne. Reaxys:18314092 phenio.json N-{4-[(1S)-2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine http://purl.obolibrary.org/obo/CHEBI_102131 3_STAR
CHEBI:102166 biolink:ChemicalSubstance thiopental A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups. Beilstein:209361|CAS:76-75-5|DrugBank:DB00599|Drug_Central:2633|KEGG:C07521|PMID:10666006|PMID:10841799|PMID:15857133|PMID:16166909|PMID:16897573|PMID:18484074|PMID:20488867|PMID:2215478|PMID:23305916|PMID:23422796|PMID:23490495|PMID:23542731|PMID:23644730|PMID:23879844|PMID:3654008|PMID:6864729|PMID:9171876|PMID:9699097|Reaxys:209361 phenio.json (+-)-thiopental|2-Thio-5-ethyl-5-sec-pentylbarbituric acid|5-Ethyl-5-(1-methyl-butyl)-2-thioxo-dihydro-pyrimidine-4,6-dione|5-ethyl-5-(pentan-2-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|Penthiobarbital|Pentothiobarbital|Thiopental|Thiopentobarbital|Thiopentobarbitone|Thiopentobarbituric acid|Thiopentone http://purl.obolibrary.org/obo/CHEBI_102166 3_STAR
CHEBI:102167 biolink:ChemicalSubstance N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine A member of the class of benzothiazoles that is 2-amino-1,3-benzothiazole in which one of the amino hydrogens is replaced by a 4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl group. phenio.json N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine http://purl.obolibrary.org/obo/CHEBI_102167 3_STAR
CHEBI:10219 biolink:ChemicalSubstance alpha-Chaconine CAS:20562-03-2|KEGG:C10796|KNApSAcK:C00002242 phenio.json alpha-Chaconine http://purl.obolibrary.org/obo/CHEBI_10219 2_STAR
CHEBI:10221 biolink:ChemicalSubstance alpha-copaene A sesquiterpene that is tricyclo[4.4.0.0(2,7)]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1S,6S,7S,8S-diastereomer). CAS:3856-25-5|KEGG:C09639|KNApSAcK:C00003118|MetaCyc:CPD-8234|Reaxys:8910321|Wikipedia:Copaene phenio.json (1S,6S,7S,8S)-1,3-dimethyl-8-(propan-2-yl)-tricyclo[4.4.0.0(2,7)]dec-3-ene|(1S,6S,7S,8S)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.0(2,7)]dec-3-ene|8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene|Copaene|alpha-Copaene|alpha-copaene http://purl.obolibrary.org/obo/CHEBI_10221 3_STAR
CHEBI:102216 biolink:ChemicalSubstance methohexital A barbiturate, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by allyl and 1-methylpent-2-ynyl groups. CAS:151-83-7|DrugBank:DB00474|Drug_Central:1748|KEGG:C07844|KEGG:D04985|PMID:13919899|PMID:20045848|PMID:22330701|PMID:22914630|PMID:22914634|PMID:23164727|PMID:23399487|PMID:23422530|PMID:23813116|PMID:3654008|PMID:6864729|Reaxys:89964|Wikipedia:Methohexital phenio.json (+-)-5-allyl-1-methyl-5-(1-methyl-2-pentynyl)barbituric acid|1-methyl-5-(1-methylpent-2-yn-1-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione|5-Allyl-1-methyl-5-(1-methyl-pent-2-ynyl)-pyrimidine-2,4,6-trione|5-Allyl-5-(3-hexyn-2-yl)-1-methylbarbituric acid|5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-2,4,6(1H,3H,5H)-pyrimidinetrione|Methohexital|Methohexitalum|Methohexitone|Metohexital|alpha-DL-1-methyl-5-allyl-5-(1'-methylpentyn-2-yl)barbituric acid http://purl.obolibrary.org/obo/CHEBI_102216 3_STAR
CHEBI:102484 biolink:ChemicalSubstance sulfisoxazole A sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms. Beilstein:263871|CAS:127-69-5|DrugBank:DB00263|Drug_Central:2529|Gmelin:864477|KEGG:C07318|KEGG:D00450|LINCS:LSM-3120|PMID:1861917|PMID:4960234|PMID:7356572|Patent:US2430094|Wikipedia:Sulfisoxazole phenio.json 3,4-Dimethyl-5-sulfanilamidoisoxazole|3,4-Dimethyl-5-sulfonamidoisoxazole|3,4-Dimethyl-5-sulphanilamidoisoxazole|3,4-Dimethyl-5-sulphonamidoisoxazole|3,4-Dimethylisoxazole-5-sulfanilamide|3,4-Dimethylisoxazole-5-sulphanilamide|4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulfonamide|4-Amino-N-(3,4-dimethyl-5-isoxazolyl)benzenesulphonamide|4-amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide|5-(4-Aminophenylsulfonamido)-3,4-dimethylisoxazole|5-(p-Aminobenzenesulfonamido)-3,4-dimethylisoxazole|5-(p-Aminobenzenesulphonamido)-3,4-dimethylisoxazole|5-Sulfanilamido-3,4-dimethylisoxazole|5-Sulphanilamido-3,4-dimethyl-isoxazole|N'-(3,4)Dimethylisoxazol-5-yl-sulphanilamide|N(1)-(3,4-dimethyl-5-isoxazolyl)sulfanilamide|N(1)-(3,4-dimethyl-5-isoxazolyl)sulphanilamide|Sulfadimethylisoxazole|Sulfafurazol|Sulfaisoxazole|Sulfasoxazole|Sulfisonazole|Sulfisoxasole|Sulfisoxazol|Sulfofurazole|Sulphadimethylisoxazole|Sulphafurazol|Sulphafurazole|Sulphaisoxazole|Sulphisoxazol|Sulphofurazole|sulfafurazole|sulfafurazolum http://purl.obolibrary.org/obo/CHEBI_102484 3_STAR
CHEBI:10280 biolink:ChemicalSubstance (E,E)-alpha-farnesene Beilstein:1840984|CAS:502-61-4|KEGG:C09665|KNApSAcK:C00003130 phenio.json (3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene|(3E,6E)-alpha-farnesene|(E,E)-alpha-farnesene http://purl.obolibrary.org/obo/CHEBI_10280 3_STAR
CHEBI:10283 biolink:ChemicalSubstance 2-hydroxy fatty acid Any fatty acid with a hydroxy functional group in the alpha- or 2-position. KEGG:C05102|PMID:6423633|PMID:9826358 phenio.json 2-OH fatty acid|2-OH fatty acids|2-hydroxy fatty acids|alpha-Hydroxy fatty acid|alpha-OH fatty acid|alpha-OH fatty acids|alpha-hydroxy fatty acid|alpha-hydroxy fatty acids http://purl.obolibrary.org/obo/CHEBI_10283 3_STAR
CHEBI:10319 biolink:ChemicalSubstance 1-naphthol A naphthol carrying a hydroxy group at position 1. CAS:90-15-3|Gmelin:69192|HMDB:HMDB0012138|KEGG:C11714|MetaCyc:NAPHTHOL|PDBeChem:1NP|PMID:16721410|PMID:18966375|PMID:22740618|Reaxys:1817321|Wikipedia:1-Naphthol phenio.json 1-Naphthol|1-hydroxynaphthalene|1-naphthalenol|1-naphthol|alpha-Naphthol|alpha-hydroxynaphthalene|alpha-naphthol|naphthalen-1-ol http://purl.obolibrary.org/obo/CHEBI_10319 3_STAR
CHEBI:10329 biolink:ChemicalSubstance alpha-ribazole Beilstein:91101|CAS:132-13-8|KEGG:C05775 phenio.json 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole|N1-(alpha-D-ribosyl)-5,6-dimethylbenzimidazole|alpha-Ribazole|alpha-ribazole http://purl.obolibrary.org/obo/CHEBI_10329 3_STAR
CHEBI:10334 biolink:ChemicalSubstance alpha-terpinene One of three isomeric monoterpenes differing in the positions of their two double bonds (beta- and gamma-terpinene being the others). In alpha-terpinene the double bonds are at the 1- and 3-positions of the p-menthane skeleton. BPDB:2014|CAS:99-86-5|HMDB:HMDB0036995|KEGG:C09898|KNApSAcK:C00003060|LIPID_MAPS_instance:LMPR0102090026|PMID:15621337|PMID:16780354|PMID:20387784|PMID:22164802|PMID:23833899|PMID:24020201|PMID:8655097|Patent:WO2010099985|Reaxys:1853379|Wikipedia:Terpinene phenio.json 1-Methyl-4-(1-methylethyl)-1,3-cyclohexadiene|1-isopropyl-4-methyl-1,3-cyclohexadiene|1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene|Terpilene|alpha-Terpinene|alpha-terpinene|p-Mentha-1,3-diene http://purl.obolibrary.org/obo/CHEBI_10334 3_STAR
CHEBI:10352 biolink:ChemicalSubstance beta-amyrin A pentacyclic triterpenoid that is oleanane substituted at the 3beta-position by a hydroxy group and containing a double bond between positions 12 and 13. It is one of the most commonly occurring triterpenoids in higher plants. CAS:559-70-6|KEGG:C08616|KNApSAcK:C00003738|LIPID_MAPS_instance:LMPR0106150015|MetaCyc:CPD-6948|PMID:16478469|PMID:17803686|PMID:21046981|PMID:24079177|PMID:24960408|PMID:25026352|PMID:25115087|PMID:5639923|PMID:6875511|Reaxys:2063468 phenio.json (3beta)-olean-12-en-3-ol|3beta-hydroxyolean-12-ene|amyrin|beta-Amyrenol|beta-Amyrin|beta-amyrin|olean-12-en-3beta-ol http://purl.obolibrary.org/obo/CHEBI_10352 3_STAR
CHEBI:10357 biolink:ChemicalSubstance (-)-beta-caryophyllene A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves. CAS:87-44-5|KEGG:C09629|KNApSAcK:C00003110|MetaCyc:CPD-8230|PMID:12409018|PMID:18296628|PMID:18574142|PMID:20015227|PMID:20398787|PMID:20433083|PMID:21366052|PMID:21425686|PMID:21941920|PMID:27871898|PMID:30281175|Reaxys:2044564|Wikipedia:Caryophyllene phenio.json (-)-(E)-beta-caryophyllene|(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene|(E)-beta-caryophyllene|Caryophyllene|beta-Caryophyllene|caryophyllene|trans-(1R,9S)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene|trans-caryophyllene http://purl.obolibrary.org/obo/CHEBI_10357 3_STAR
CHEBI:10359 biolink:ChemicalSubstance (-)-beta-chamigrene The (6R)-enantiomer of beta-chamigrene. CAS:18431-82-8|KEGG:C09637|KNApSAcK:C00003116|Reaxys:2326950 phenio.json (-)-chamigrene|(6R)-3,7,7-trimethyl-11-methylidenespiro[5.5]undec-2-ene|(R)-beta-chamigrene|beta-Chamigrene http://purl.obolibrary.org/obo/CHEBI_10359 3_STAR
CHEBI:10365 biolink:ChemicalSubstance (5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one CAS:31008-70-5|KEGG:C02899 phenio.json (5S)-3-acetyl-4-hydroxy-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}-1,5-dihydro-2H-pyrrol-2-one|(S)-3-acetyl-1,5-dihydro-4-hydroxy-5-((4-(3-methyl-2-butenyl)-1H-indol-3-yl)methyl)-2H-pyrrol-2-one|beta-Cyclopiazonate|beta-Cyclopiazonic acid|dehydrodisecocyclopiazonic acid http://purl.obolibrary.org/obo/CHEBI_10365 3_STAR
CHEBI:103854 biolink:ChemicalSubstance N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide LINCS:LSM-15205 phenio.json http://purl.obolibrary.org/obo/CHEBI_103854 2_STAR
CHEBI:104011 biolink:ChemicalSubstance p-aminohippuric acid An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow. Beilstein:1216376|CAS:61-78-9|DrugBank:DB00345|Drug_Central:165|Gmelin:848144|HMDB:HMDB0001867|KEGG:D06890|LINCS:LSM-5739|PMID:11060218|PMID:11078692|PMID:11443229|PMID:12523660|PMID:12552490|PMID:17190852|PMID:20439170|PMID:22036005|PMID:22273603|PMID:22406909|PMID:22460716|PMID:2496229|Reaxys:1213676|Wikipedia:Aminohippuric_Acid phenio.json 4-aminohippuric acid|Aminohippuric acid|N-(4-aminobenzoyl)glycine|N-(p-Aminobenzoyl)aminoacetic acid|N-(p-Aminobenzoyl)glycine|N-(para-aminobenzoyl)glycine|PAH|Paha|p-aminohippurate|para-Aminohippuric acid|paraaminohippuric acid http://purl.obolibrary.org/obo/CHEBI_104011 3_STAR
CHEBI:104023 biolink:ChemicalSubstance 2-[3-(2-quinolinylmethoxy)anilino]benzoic acid LINCS:LSM-15379 phenio.json http://purl.obolibrary.org/obo/CHEBI_104023 2_STAR
CHEBI:10415 biolink:ChemicalSubstance beta-endorphin A polypeptide consisting of 31 amino acid residues in the sequence Tyr-Gly-Gly-Phe-Met-Thr-Ser-Glu-Lys-Ser-Gln-Thr-Pro-Leu-Val-Thr-Leu-Phe-Lys-Asn-Ala-Ile-Ile-Lys-Asn-Ala-Tyr-Lys-Lys-Gly-Glu. It is an endogenous opioid peptide neurotransmitter found in the neurons of both the central and peripheral nervous system and results from processing of the precursor protein proopiomelanocortin (POMC). CAS:60617-12-1|KEGG:C02210|PMID:21044625|PMID:21187108|PMID:21775068|PMID:22014186|PMID:22080997|PMID:22101356|PMID:22574561|PMID:22578170|PMID:22626645|Wikipedia:Beta-endorphin phenio.json L-tyrosylglycylglycyl-L-phenylalanyl-L-methionyl-L-threonyl-L-seryl-L-glutaminyl-L-lysyl-L-seryl-L-glutaminyl-L-threonyl-L-prolyl-L-leucyl-L-valyl-L-threonyl-L-leucyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-alanyl-L-isoleucyl-L-isoleucyl-L-lysyl-L-asparaginyl-L-alanyl-L-tyrosyl-L-lysyl-L-lysylglycyl-L-glutamine|Tyr-Gly-Gly-Phe-Met-Thr-Ser-Glu-Lys-Ser-Gln-Thr-Pro-Leu-Val-Thr-Leu-Phe-Lys-Asn-Ala-Ile-Ile-Lys-Asn-Ala-Tyr-Lys-Lys-Gly-Glu|beta-Endorphin http://purl.obolibrary.org/obo/CHEBI_10415 3_STAR
CHEBI:10417 biolink:ChemicalSubstance beta-eudesmol A carbobicyclic compound that is trans-decalin substituted at positions 2, 4a, and 8 by 2-hydroxypropan-2-yl, methyl and methylidene groups, respectively (the 2R,4aR,8aS-diastereoisomer). CAS:473-15-4|KEGG:C09664|KNApSAcK:C00000164|MetaCyc:CPD-11432|PMID:18242187|Reaxys:5735560 phenio.json (2R,4aR,8aS)-decahydro-8-methylene-alpha,alpha,4a-trimethyl-2-naphthylmethanol|2-[(2R,4aR,8aS)-4a-methyl-8-methylidenedecahydronaphthalen-2-yl]propan-2-ol|beta-Eudesmol|beta-eudesmol|beta-selinenol|eudesm-4(14)-en-11-ol http://purl.obolibrary.org/obo/CHEBI_10417 3_STAR
CHEBI:10429 biolink:ChemicalSubstance beta-lapachone A benzochromenone that is 3,4-dihydro-2H-benzo[h]chromene-5,6-dione substituted by geminal methyl groups at position 2. Isolated from Tabebuia avellanedae, it exhibits antineoplastic and anti-inflammatory activities. CAS:4707-32-8|KEGG:C10367|KNApSAcK:C00002836|PMID:16822200|PMID:16891723|PMID:18180274|PMID:18227145|PMID:18424157|PMID:18706870|PMID:19051226|PMID:22560628|PMID:22736525|PMID:23010281|PMID:23071729|PMID:23865001|PMID:25448047|PMID:26328485|PMID:3652040|PMID:6704108|Reaxys:181499 phenio.json 2,2-dimethyl-3,4-dihydro-2H-benzo[h]chromene-5,6-dione|3,4-dihydro-2,2-dimethyl-2H-naphtho(1,2-b)pyran-5,6-dione|ARQ 501|beta-Lapachone|beta-lap http://purl.obolibrary.org/obo/CHEBI_10429 3_STAR
CHEBI:10432 biolink:ChemicalSubstance 2-naphthol A naphthol carrying a hydroxy group at position 2. CAS:135-19-3|Drug_Central:3370|FooDB:FDB000877|Gmelin:27395|HMDB:HMDB0012322|KEGG:C11713|MetaCyc:CPD-8131|PDBeChem:03V|PMID:13386410|PMID:14751800|PMID:18515997|PMID:18856458|PMID:20260560|PMID:22069470|PMID:22740618|PMID:23344974|PMID:29987264|PMID:30572877|PMID:30828382|PMID:32206945|PMID:33862438|PMID:34033865|Reaxys:742134|Wikipedia:2-Naphthol phenio.json 2-Naftol|2-Naphthol|2-hydroxynaphthalene|2-naftolo|2-naphthalenol|2-naphthol|2-naphtol|Antioxygene BN|Azogen Developer A|C.I. Azoic Coupling Component 1|C.I. Developer 5|Developer A|Developer AMS|Developer BN|Isonaphthol|beta-Naftol|beta-Naphthol|beta-Naphtol|beta-hydroxynaphthalene|beta-naftolo|beta-naphthol|beta-naphthyl alcohol|beta-naphthyl hydroxide|naphthalen-2-ol http://purl.obolibrary.org/obo/CHEBI_10432 3_STAR
CHEBI:10436 biolink:ChemicalSubstance beta-ocimene The trans-stereoisomer of ocimene. phenio.json trans-3,7-dimethylocta-1,3,6-triene http://purl.obolibrary.org/obo/CHEBI_10436 3_STAR
CHEBI:10545 biolink:ChemicalSubstance electron Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV. KEGG:C05359|PMID:21614077|Wikipedia:Electron phenio.json Elektron|beta|beta(-)|beta-particle|e|e(-)|e-|electron|negatron http://purl.obolibrary.org/obo/CHEBI_10545 3_STAR
CHEBI:10577 biolink:ChemicalSubstance gamma-terpinene One of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and beta-terpinene being the others). In gamma-terpinene the double bonds are at the 1- and 4-positions of the p-menthane skeleton. BPDB:2013|CAS:99-85-4|HMDB:HMDB0005806|KEGG:C09900|KNApSAcK:C00003061|LIPID_MAPS_instance:LMPR0102090027|MetaCyc:CPD-8736|PMID:12696969|PMID:17314143|PMID:22284503|PMID:24066512|PMID:24421258|Reaxys:2038347|Wikipedia:Terpinene phenio.json 1,4-p-Menthadiene|1-Isopropyl-4-methyl-1,4-cyclohexadiene|1-Isopropyl-4-methylcyclohexa-1,4-diene|1-Methyl-4-(1-methylethyl)-1,4-cyclohexadiene|1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene|1-methyl-4-propan-2-ylcyclohexa-1,4-diene|4-Isopropyl-1-methyl-1,4-cyclohexadiene|Crithmene|Moslene|gamma-Terpinene|gamma-terpinene|p-Mentha-1,4-diene http://purl.obolibrary.org/obo/CHEBI_10577 3_STAR
CHEBI:10588 biolink:ChemicalSubstance 1-(3-chlorophenyl)piperazine A N-arylpiperazine that is piperazine carrying a 3-chlorophenyl substituent at position 1. It is a metabolite of the antidepressant drug trazodone. CAS:6640-24-0|HMDB:HMDB0061008|KEGG:C11738|LINCS:LSM-25627|PMID:11311791|PMID:18621591|PMID:23768699|PMID:24062697|PMID:6827905|Reaxys:8409|Wikipedia:Meta-Chlorophenylpiperazine phenio.json (m-CPP)|1-(3-Chlorophenyl)piperazine|1-(3-chlorophenyl)piperazine|m-Chlorophenylpiperazine http://purl.obolibrary.org/obo/CHEBI_10588 3_STAR
CHEBI:1060 biolink:ChemicalSubstance 2-dehydro-3-deoxy-D-arabinonic acid A 2-oxo monocarboxylic acid that is 2-oxopentanoic acid which is substituted at positions 4 and 5 by hydroxy groups (the 4S-enantiomer). Beilstein:1704607|KEGG:C03826 phenio.json (4S)-4,5-Dihydroxy-2-oxopentanoate|(4S)-4,5-dihydroxy-2-oxopentanoic acid|2-Dehydro-3-deoxy-D-arabinonate|2-Dehydro-3-deoxy-D-pentonate|2-Dehydro-3-deoxy-D-xylonate http://purl.obolibrary.org/obo/CHEBI_1060 3_STAR
CHEBI:10615 biolink:ChemicalSubstance omega-hydroxy fatty acid Any member of the class of naturally-occurring straight-chain fatty acids n carbon atoms long with a carboxyl group at position 1 and a hydroxyl at position n (omega). KEGG:C03547|PMID:13771448|PMID:16660004 phenio.json omega-Hydroxy fatty acid|omega-hydroxy fatty acids http://purl.obolibrary.org/obo/CHEBI_10615 3_STAR
CHEBI:10642 biolink:ChemicalSubstance scyllo-inositol CAS:488-59-5|Gmelin:561300|KEGG:C06153|PMID:24352657|Reaxys:2206312 phenio.json (1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol|1,3,5/2,4,6-cyclohexanehexol|Cocositol|Quercinitol|Scyllitol|scyllo-Inositol|scyllo-inositol http://purl.obolibrary.org/obo/CHEBI_10642 3_STAR
CHEBI:10650 biolink:ChemicalSubstance sumatriptan A sulfonamide that consists of N,N-dimethyltryptamine bearing an additional (N-methylsulfamoyl)methyl substituent at position 5. Selective agonist for a vascular 5-HT1 receptor subtype (probably a member of the 5-HT1D family). Used (in the form of its succinate salt) for the acute treatment of migraine with or without aura in adults. CAS:103628-46-2|DrugBank:DB00669|Drug_Central:2543|HMDB:HMDB0005037|KEGG:C07319|KEGG:D00451|LINCS:LSM-5618|PMID:11045888|PMID:11401410|PMID:12172708|PMID:12856385|PMID:12917936|PMID:15652399|PMID:16120224|PMID:16142613|PMID:17557349|PMID:18442019|PMID:19619527|PMID:19825906|PMID:22106962|PMID:22150557|PMID:22272067|PMID:22302025|PMID:22336849|PMID:22336867|PMID:22336868|PMID:22435741|Reaxys:5346011|Wikipedia:Sumatriptan phenio.json (3-[2-(dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide|1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide|1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide|3-(2-(dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide|3-[2-(dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide|Imigran|Imitrex|Sumatran|Sumax|sumatriptan|sumatriptanum http://purl.obolibrary.org/obo/CHEBI_10650 3_STAR
CHEBI:10668 biolink:ChemicalSubstance tRNA precursor KEGG:C02211 phenio.json tRNA precursor http://purl.obolibrary.org/obo/CHEBI_10668 2_STAR
CHEBI:10696 biolink:ChemicalSubstance (3S)-3-hydroxy-L-aspartic acid The (3S)-diastereomer of 3-hydroxy-L-aspartic acid. CAS:7298-99-9|KEGG:C11511|KNApSAcK:C00018064|PDBeChem:BHD|PMID:22735334|Reaxys:2046208|YMDB:YMDB00166 phenio.json (2S,3S)-2-amino-3-hydroxybutanedioic acid|(3S)-3-hydroxy-L-aspartic acid|DL-threo-beta-Hydroxyaspartic acid http://purl.obolibrary.org/obo/CHEBI_10696 3_STAR
CHEBI:10702 biolink:ChemicalSubstance (1R,2R)-cyclohexa-3,5-diene-1,2-diol Beilstein:1928465|Beilstein:4658201|KEGG:C04221 phenio.json (1R,2R)-1,2-dihydrobenzene-1,2-diol|(1R,2R)-cyclohexa-3,5-diene-1,2-diol|trans-1,2-Dihydrobenzene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_10702 3_STAR
CHEBI:10723 biolink:ChemicalSubstance trans-dec-2-enoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-dec-2-enoic acid. HMDB:HMDB0003948|KEGG:C05275|LIPID_MAPS_instance:LMFA07050023|PMID:1731641|PMID:8439301|Reaxys:11165744 phenio.json (2E)-2-decenoyl-coenzyme A|(2E)-Decenoyl-CoA|2-trans-decenoyl-coenzyme A|2E-decenoyl-CoA|2E-decenoyl-coenzyme A|3'-phosphoadenosine 5'-[3-(4-{[3-({2-[(2E)-dec-2-enoylsulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]|trans-2,3-didehydroacyl-CoA (C10)|trans-2-decenoyl-coenzyme A|trans-Dec-2-enoyl-CoA|trans-dec-2-enoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_10723 3_STAR
CHEBI:107633 biolink:ChemicalSubstance 3,4,5-trimethoxybenzoic acid 8-(diethylamino)octyl ester LINCS:LSM-18991 phenio.json http://purl.obolibrary.org/obo/CHEBI_107633 2_STAR
CHEBI:107736 biolink:ChemicalSubstance metoclopramide A member of the class of benzamides resulting from the formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with the primary amino group of N,N-diethylethane-1,2-diamine. CAS:364-62-5|DrugBank:DB01233|Drug_Central:1782|HMDB:HMDB0015363|KEGG:C07868|KEGG:D00726|LINCS:LSM-3689|Patent:BE620543|Patent:US3177252|Reaxys:1884366|VSDB:1821|Wikipedia:Metoclopramide phenio.json 2-methoxy-4-amino-5-chloro-N,N-(dimethylaminoethyl)benzamide|2-methoxy-5-chloroprocainamide|4-amino-5-chloro-2-methoxy-N-(beta-diethylaminoethyl)benzamide|4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide|4-amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide|4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide|Elieten|Reliveran|metoclopramida|metoclopramide|metoclopramidum http://purl.obolibrary.org/obo/CHEBI_107736 3_STAR
CHEBI:10782 biolink:ChemicalSubstance (S)-(-)-perillyl alcohol A perillyl alcohol in which the chiral centre has S configuration. CAS:18457-55-1|CAS:536-59-4|KEGG:C02452|KNApSAcK:C00010885|LIPID_MAPS_instance:LMPR0102090008|MetaCyc:CPD-261|PMID:24125633|PMID:24623736|PMID:28233648|Reaxys:2501605 phenio.json (-)-Perillylalcohol|(4S)-perillyl alcohol|4-isopropenylcyclohex-1-en-1-ylmethanol|Perillyl alcohol|[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol|p-Mentha-1,8-dien-7-ol http://purl.obolibrary.org/obo/CHEBI_10782 3_STAR
CHEBI:10790 biolink:ChemicalSubstance methylenediurea Beilstein:1812254|CAS:13547-17-6|Gmelin:694187 phenio.json 1-[(carbamoylamino)methyl]urea|N,N''-methanediyldiurea|N,N''-methylenebis(urea)|N,N''-methylenediurea|NH2-CO-NH-CH2-NH-CO-NH2|methylenediurea http://purl.obolibrary.org/obo/CHEBI_10790 3_STAR
CHEBI:109543 biolink:ChemicalSubstance 5,7-dibromo-8-quinolinol CAS:521-74-4|Drug_Central:412|LINCS:LSM-20949 phenio.json broxyquinolin|dibromoquin|dibromoxin|dibromoxine|dibromoxyquinoline http://purl.obolibrary.org/obo/CHEBI_109543 2_STAR
CHEBI:10956 biolink:ChemicalSubstance (E)-cinnamoyl-CoA The (E)-isomer of cinnamoyl-CoA. CAS:76109-04-1|KEGG:C16256 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-3-phenylprop-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}|Cinnamoyl-coenzyme A|Coenzyme A, S-(3-phenyl-2-propenoate), (E)- http://purl.obolibrary.org/obo/CHEBI_10956 3_STAR
CHEBI:10965 biolink:ChemicalSubstance (R)-2,3,4,5-tetrahydrodipicolinate(2-) phenio.json (2R)-2,3,4,5-tetrahydropyridine-2,6-dicarboxylate|(R)-2,3,4,5-tetrahydrodipicolinate|(R)-2,3,4,5-tetrahydropyridine-2,6-dicarboxylate http://purl.obolibrary.org/obo/CHEBI_10965 3_STAR
CHEBI:10970 biolink:ChemicalSubstance (R)-2-benzylsuccinyl-CoA The (R)-enantiomer of 2-benzylsuccinyl-CoA. KEGG:C09817 phenio.json (R)-2-Benzylsuccinyl-CoA|(R)-2-benzylsuccinyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2R)-2-benzyl-3-carboxypropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_10970 3_STAR
CHEBI:10979 biolink:ChemicalSubstance (R)-3-[(R)-3-hydroxybutanoyloxy]butanoate A hydroxy monocarboxylic acid anion that is the conjugate base of (R)-3-[(R)-3-hydroxybutanoyloxy]butanoic acid KEGG:C04546 phenio.json (3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoate|(3R)-hydroxybutanoate dimer|(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate http://purl.obolibrary.org/obo/CHEBI_10979 3_STAR
CHEBI:10980 biolink:ChemicalSubstance (R)-3-(4-hydroxyphenyl)lactate KEGG:C03964 phenio.json (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoate|(R)-3-(4-Hydroxyphenyl)lactate http://purl.obolibrary.org/obo/CHEBI_10980 3_STAR
CHEBI:10983 biolink:ChemicalSubstance (R)-3-hydroxybutyrate The conjugate base of (R)-3-hydroxybutyric acid. KEGG:C01089|MetaCyc:CPD-335|PMID:19304817|Reaxys:6114857 phenio.json (3R)-3-hydroxybutanoate|(R)-(-)-beta-hydroxybutyrate|(R)-3-Hydroxybutanoate|(R)-3-hydroxybutanoate|3-D-hydroxybutyrate|D-3-hydroxybutyrate|D-beta-hydroxybutyrate http://purl.obolibrary.org/obo/CHEBI_10983 3_STAR
CHEBI:10986 biolink:ChemicalSubstance (R)-4'-phosphonatopantothenate(3-) An organophosphate oxoanion that is the trianion of (R)-5-phosphopantothenic acid arising from deprotonation of the carboxy and phosphate OH groups; major species at pH 7.3 phenio.json (R)-4'-phosphopantothenate|3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonatooxy)butanamido]propanoate http://purl.obolibrary.org/obo/CHEBI_10986 3_STAR
CHEBI:109895 biolink:ChemicalSubstance beta-carboline The parent compound of the beta-carbolines, a tricyclic structure comprising an indole ring system ortho- fused to C-3 and C-4 of a pyridine ring. CAS:244-63-3|HMDB:HMDB0012897|KEGG:C20157|LINCS:LSM-19021|MetaCyc:CPD-15304|PDBeChem:NRH|PMID:23600147|PMID:8070089|Reaxys:128414|Wikipedia:Beta-Carboline phenio.json 2,9-Diazafluorene|2-Azacarbazole|9H-Pyrido(3,4-B)indole|9H-beta-Carboline|9H-beta-carboline|9H-pyrido[3,4-b]indole|Carbazoline|Norharman|Norharmane|beta-carboline http://purl.obolibrary.org/obo/CHEBI_109895 3_STAR
CHEBI:11009 biolink:ChemicalSubstance (R)-3-phenyllactate A (2R)-2-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (R)-3-phenyllactic acid. phenio.json (2R)-2-hydroxy-3-phenylpropanoate|(R)-3-phenyllactate http://purl.obolibrary.org/obo/CHEBI_11009 3_STAR
CHEBI:11010 biolink:ChemicalSubstance (R)-phenyllactoyl-CoA An acyl-CoA having (R)-phenyllactoyl as the S-acyl group. KEGG:C16257 phenio.json (R)-3-phenyllactyl-CoA|(R)-3-phenyllactyl-coenzyme A|(R)-phenyllactoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2R)-2-hydroxy-3-phenylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_11010 3_STAR
CHEBI:11022 biolink:ChemicalSubstance (S)-4-amino-5-oxopentanoate A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (S)-4-amino-5-oxopentanoic acid. phenio.json (4S)-4-amino-5-oxopentanoate http://purl.obolibrary.org/obo/CHEBI_11022 3_STAR
CHEBI:11041 biolink:ChemicalSubstance (S)-3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid phenio.json 3-[(5S)-4-oxo-4,5-dihydro-1H-imidazol-5-yl]propanoic acid http://purl.obolibrary.org/obo/CHEBI_11041 3_STAR
CHEBI:110423 biolink:ChemicalSubstance clodronic acid An organochlorine compound that is methylene chloride in which both hydrogens are replaced by phosphonic acid groups. It inhibits bone resorption and soft tissue calcification, and is used (often as the disodium salt tetrahydrate) as an adjunct in the treatment of severe hypercalcaemia associated with malignancy, and in the management of osteolytic lesions and bone pain associated with skeletal metastases. Beilstein:1876367|CAS:10596-23-3|DrugBank:DB00720|Drug_Central:690|KEGG:D03545|LINCS:LSM-5802|PMID:15658873|PMID:7818726|PMID:8421279|Patent:BE672205 phenio.json (Dichloro-phosphono-methyl)-phosphonic acid|(dichloromethanediyl)bis(phosphonic acid)|(dichloromethylene)bisphosphonic acid|(dichloromethylene)diphosphonic acid|acide clodronique|acido clodronico|acidum clodronicum|clodronate|clodronic acid|clodronsaeure|dichloromethylene-1,1-bisphosphonic acid|dichloromethylene-1,1-diphosphonic acid|dichloromethylidene diphosphonate http://purl.obolibrary.org/obo/CHEBI_110423 3_STAR
CHEBI:11047 biolink:ChemicalSubstance (S)-3-hydroxybutyrate The conjugate base of (S)-3-hydroxybutyric acid. KEGG:C03197|MetaCyc:CPD-1843|PMID:18461320|PMID:19304817|Reaxys:4175317 phenio.json (3S)-3-hydroxybutanoate|(S)-3-Hydroxybutanoate|(S)-3-hydroxy-2-methylpropanoate|(S)-3-hydroxybutanoate|(S)-3HB|L-(+)-2-methylhydracrylate|S3HB http://purl.obolibrary.org/obo/CHEBI_11047 3_STAR
CHEBI:11060 biolink:ChemicalSubstance (S)-carnitine The (S)-enantiomer of carnitine. Beilstein:4292316|CAS:541-14-0|KEGG:C15025 phenio.json (+)-Carnitine|(3S)-3-hydroxy-4-(trimethylammonio)butanoate|(S)-Carnitine|(S)-carnitine|Carnitine D-form|D-(3-Carboxy-2-hydroxypropyl)trimethylammonium hydroxide, inner salt|D-Carnitine|d-Carnitine http://purl.obolibrary.org/obo/CHEBI_11060 3_STAR
CHEBI:110725 biolink:ChemicalSubstance EC 2.1.1.8 (histamine N-methyltransferase) inhibitor An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of histamine N-methyltransferase (EC 2.1.1.8). phenio.json EC 2.1.1.8 (histamine N-methyltransferase) inhibitors|EC 2.1.1.8 inhibitor|EC 2.1.1.8 inhibitors|S-adenosyl-L-methionine:histamine N-tele-methyltransferase inhibitor|S-adenosyl-L-methionine:histamine N-tele-methyltransferase inhibitors|S-adenosylmethionine-histamine N-methyltransferase inhibitor|S-adenosylmethionine-histamine N-methyltransferase inhibitors|histamine 1-methyltransferase inhibitor|histamine 1-methyltransferase inhibitors|histamine methyltransferase inhibitor|histamine methyltransferase inhibitors|histamine-methylating enzyme inhibitor|histamine-methylating enzyme inhibitors|imidazolemethyltransferase inhibitor|imidazolemethyltransferase inhibitors http://purl.obolibrary.org/obo/CHEBI_110725 3_STAR
CHEBI:1109 biolink:ChemicalSubstance 2-hexaprenyl-6-methoxyphenol A monomethoxybenzene that is 6-methoxyphenol substituted by a (all-trans)-hexaprenyl group at position 2. KEGG:C05802|MetaCyc:2-HEXAPRENYL-6-METHOXYPHENOL phenio.json 2-Hexaprenyl-6-methoxyphenol|2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-6-methoxyphenol|2-methoxy-6-(all-trans-hexaprenyl)phenol http://purl.obolibrary.org/obo/CHEBI_1109 3_STAR
CHEBI:111006 biolink:ChemicalSubstance maltose 6'-phosphate A maltose phosphate having a single monophosphate group placed at position 6'. KEGG:G10519|MetaCyc:CPD-15982 phenio.json 4-O-(6-O-phosphono-alpha-D-glucopyranosyl)-D-glucopyranose|6-O-phosphono-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose|maltose 6'-monophosphate http://purl.obolibrary.org/obo/CHEBI_111006 3_STAR
CHEBI:1113 biolink:ChemicalSubstance cis-2-hydroxypenta-2,4-dienoic acid The cis-isomer of 2-hydroxypenta-2,4-dienoic acid. Beilstein:10772855|CAS:159694-16-3|KEGG:C00596|Reaxys:11016640 phenio.json (2E)-2-hydroxypenta-2,4-dienoic acid|cis-2-Hydroxypenta-2,4-dienoate http://purl.obolibrary.org/obo/CHEBI_1113 3_STAR
CHEBI:111511 biolink:ChemicalSubstance (beta-D-glucopyranosyloxymethyl)deoxyuridine 5'-monophosphate A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having beta-D-glucopyranosyloxymethyluracil (base J) as the nucleobase phenio.json (beta-D-glucosyloxymethyl)deoxyuridine 5'-monophosphate|2'-deoxy-5-[(beta-D-glucopyranosyloxy)methyl]uridine 5'-(dihydrogen phosphate)|5-(beta-D-glucopyranosyloxymethyl)-2'-deoxyuridine 5'-monophosphate|beta-D-glucopyranosyloxymethyl-dUMP|beta-D-glucosyloxymethyl-dUMP|dJMP http://purl.obolibrary.org/obo/CHEBI_111511 3_STAR
CHEBI:11173 biolink:ChemicalSubstance 1,4-dihydroxy-2-naphthoate A hydroxy monocarboxylic acid anion that is the conjugate base of 1,4-dihydroxy-2-naphthoic acid. MetaCyc:DIHYDROXYNAPHTHOATE|Reaxys:21815550 phenio.json 1,4-dihydroxy-2-naphthoate|1,4-dihydroxynaphthalene-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_11173 3_STAR
CHEBI:112106 biolink:ChemicalSubstance (R)-3-(indol-3-yl)-2-oxobutyric acid The (R)-enantiomer of 3-(indol-3-yl)-2-oxobutyric acid. MetaCyc:CPD-398|PMID:25730866|Reaxys:26479367 phenio.json (3R)-3-(1H-indol-3-yl)-2-oxobutanoic acid|(R)-beta-methylindolepyruvic acid http://purl.obolibrary.org/obo/CHEBI_112106 3_STAR
CHEBI:11222 biolink:ChemicalSubstance 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridinium KEGG:C02691 phenio.json 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]pyridinium|Heteropyrithiamine|heteropyrithiamine http://purl.obolibrary.org/obo/CHEBI_11222 3_STAR
CHEBI:11230 biolink:ChemicalSubstance 1-acylglycerophosphocholine(1+) A glycerophosphocholine having an unspecified O-acyl substituent at the 1-position of the glycerol fragment. phenio.json 1-O-acylglycerophosphocholines|2-lysophosphatidylcholine http://purl.obolibrary.org/obo/CHEBI_11230 3_STAR
CHEBI:11302 biolink:ChemicalSubstance 10-desacetyltaxuyunnanin C KEGG:C15538 phenio.json 10-deacetyltaxuyunnanin C|10beta-hydroxytaxa-4(20),11-diene-2alpha,5alpha,14beta-triyl triacetate http://purl.obolibrary.org/obo/CHEBI_11302 3_STAR
CHEBI:11305 biolink:ChemicalSubstance 10-hydroxycaprate The conjugate base of 10-hydroxycapric acid. Beilstein:4800124|MetaCyc:10-HYDROXYDECANOATE phenio.json 10-hydroxydecanoate|omega-hydroxycaprate|omega-hydroxydecanoate http://purl.obolibrary.org/obo/CHEBI_11305 3_STAR
CHEBI:11320 biolink:ChemicalSubstance 13-hydroxydocosanoate The conjugate base of 13-hydroxydocosanoic acid. KEGG:C03049 phenio.json 13-hydroxydocosanoate http://purl.obolibrary.org/obo/CHEBI_11320 3_STAR
CHEBI:113455 biolink:ChemicalSubstance sodium benzoate An organic sodium salt resulting from the replacement of the proton from the carboxy group of benzoic acid by a sodium ion. CAS:532-32-1|KEGG:D02277|PMID:25377186|PMID:25582668|PMID:26585641|PMID:26706697|PMID:26749113|PMID:26870932|PMID:26875563|PMID:26907495|PMID:26951541|PMID:26989415|PMID:27000017|Reaxys:1100243|Wikipedia:Sodium_benzoate phenio.json Benzoic acid, sodium salt|E211|Sodium benzoate|sodium benzoate http://purl.obolibrary.org/obo/CHEBI_113455 3_STAR
CHEBI:113532 biolink:ChemicalSubstance thymoquinone A member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity. CAS:490-91-5|FooDB:FDB013274|HMDB:HMDB0034732|KNApSAcK:C00010876|LINCS:LSM-24947|PDBeChem:IMW|PMID:23135290|PMID:29519737|PMID:30422744|PMID:32074066|PMID:32133061|PMID:32560283|PMID:32588453|PMID:32596711|PMID:32608003|PMID:32610056|PMID:32618005|PMID:32620860|PMID:32637881|PMID:32652915|PMID:32767958|PMID:32774669|PMID:32774804|PMID:32793594|PMID:32843585|PMID:32860490|PMID:32867015|PMID:32901987|PMID:32920292|Reaxys:1939047|Wikipedia:Thymoquinone phenio.json 2-isopropyl-5-methyl-1,4-benzoquinone|2-isopropyl-5-methyl-p-benzoquinone|2-methyl-5-(1-methylethyl)-2,5-cyclohexadiene-1,4-dione|2-methyl-5-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione|5-isopropyl-2-methyl-2,5-cyclohexadiene-1,4-dione|TQ|p-cymene-2,5-dione|p-mentha-3,6-diene-2,5-dione|thymoquinon http://purl.obolibrary.org/obo/CHEBI_113532 3_STAR
CHEBI:11369 biolink:ChemicalSubstance 1L-myo-inositol 1,2,3,4,6-pentakisphosphate Beilstein:7742493|Beilstein:9175136|KEGG:C15990 phenio.json 1L-myo-inositol 1,2,3,4,6-pentakis(dihydrogen phosphate)|myo-Inositol 1,2,3,4,6-pentakisphosphate http://purl.obolibrary.org/obo/CHEBI_11369 3_STAR
CHEBI:11392 biolink:ChemicalSubstance 2'-(5-triphosphoribosyl)-3'-dephospho-CoA An adenosine 5'-phosphate derivative that has the structure of coenzyme A dephosphorylated at C-3' and with a 5-triphospho-alpha-D-ribosyl substituent at C-2'. PMID:11052675 phenio.json 2'-(5-triphospho-alpha-D-ribofuranosyl)adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_11392 3_STAR
CHEBI:11408 biolink:ChemicalSubstance 2,3,4,5-tetrahydrodipicolinate(2-) A dicarboxylic acid dianion resulting from deprotonation of both carboxy groups of 2,3,4,5-tetrahydrodipicolinic acid. phenio.json 2,3,4,5-tetrahydrodipicolinate|2,3,4,5-tetrahydropyridine-2,6-dicarboxylate http://purl.obolibrary.org/obo/CHEBI_11408 3_STAR
CHEBI:11412 biolink:ChemicalSubstance (2R,3S,4S)-leucocyanidin Beilstein:6574536|CAS:93527-39-0|KEGG:C05906|KEGG:D08112|KNApSAcK:C00007235|KNApSAcK:C00008991 phenio.json (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,5,7-tetrol|(2R,3S,4S)-leucocyanidin|2,3-trans-3,4-cis-Leucocyanidin|2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol|2r-(3,4-dihydroxyphenyl)chromane-3t,4t,5,7-tetrol|3,3',4,4',5,7-Flavanhexol|3,4-Cyanidiol|Leucoanthocyanidol|Leucocianidol|Leucocyanidol|Leukocyanidine|Procyanidol|Resivit http://purl.obolibrary.org/obo/CHEBI_11412 3_STAR
CHEBI:11424 biolink:ChemicalSubstance 2,3-dihydroxy-3-methylbutanoate phenio.json 2,3-dihydroxy-3-methylbutanoate|2,3-dihydroxyisovalerate http://purl.obolibrary.org/obo/CHEBI_11424 3_STAR
CHEBI:11438 biolink:ChemicalSubstance 2,4-dichloro-cis,cis-muconate(2-) UM-BBD_compID:c0292 phenio.json (2E,4E)-2,4-dichlorohexa-2,4-dienedioate|(2E,4E)-2,4-dichloromuconate http://purl.obolibrary.org/obo/CHEBI_11438 3_STAR
CHEBI:11449 biolink:ChemicalSubstance 2,5-didehydro-D-gluconate Conjugate base of 2,5-didehydro-D-gluconic acid. Beilstein:3671140 phenio.json 2,5-Didehydro-D-gluconate|2,5-didehydro-D-gluconate|2,5-diketo-D-gluconate|2,5-diketogluconate|2-Dehydro-L-idonate|D-threo-2,5-hexodiulosonate|D-threo-hexo-2,5-diulosonate http://purl.obolibrary.org/obo/CHEBI_11449 3_STAR
CHEBI:114785 biolink:ChemicalSubstance erlotinib A quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions. CAS:183321-74-6|DrugBank:DB00530|Drug_Central:1045|HMDB:HMDB0014671|KEGG:D07907|LINCS:LSM-1097|PDBeChem:AQ4|PMID:12270171|PMID:14684309|PMID:15711537|PMID:16014882|PMID:16014883|PMID:16480284|PMID:17889528|PMID:17983745|PMID:29448920|PMID:29579331|PMID:29687154|PMID:30039303|PMID:30071517|PMID:30150014|PMID:30158288|Patent:US2010094004|Reaxys:8798958|Wikipedia:Erlotinib phenio.json N-(3-ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine|[6,7-bis(2-methoxy-ethoxy)quinazoline-4-yl]-(3-ethynylphenyl)amine|[6,7-bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-(3-ethynyl-phenyl)-amine|erlotinib|erlotinibum http://purl.obolibrary.org/obo/CHEBI_114785 3_STAR
CHEBI:114953 biolink:ChemicalSubstance (2S)-2-ammonio-5-{[iminio(methylamino)methyl]amino}pentanoate The zwitterionic form of N(omega)-methyl-L-arginine in which the imino nitrogen has been protonated. PMID:1372655 phenio.json N(omega)-methyl-L-arginine|N(omega)-methyl-L-arginine zwitterion(1+) http://purl.obolibrary.org/obo/CHEBI_114953 3_STAR
CHEBI:11502 biolink:ChemicalSubstance 2-acylglycerophosphocholine(1+) A glycerophosphocholine having an unspecified acyl group attached at the 2-position. PMID:15913955 phenio.json 2-acylglycerophosphocholines|LPC http://purl.obolibrary.org/obo/CHEBI_11502 3_STAR
CHEBI:11515 biolink:ChemicalSubstance 2-amino-5-formylamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate The 5-N-formyl derivative of 2,5-diamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate. KEGG:C15563|PMID:19309161 phenio.json 1-deoxy-1-[(2-amino-5-formamido-6-oxo-1,6-dihydropyrimidin-4-yl)amino]-beta-D-ribofuranose 5-(dihydrogen phosphate)|2-amino-5-formylamino-6-(1-D-ribosylamino)-4(3H)-pyrimidinone 5'-monophosphate|2-amino-5-formylamino-6-(1-D-ribosylamino)-4(3H)-pyrimidinone 5'-phosphate|2-amino-5-formylamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-monophosphate|2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one|2-amino-5-formylamino-6-hydroxy-4-(5-phosphoribosylamino)-pyrimidine|2-amino-5-formylamino-6-ribosylamino-4(3H)-pyrimidinone 5'-monophosphate|2-amino-5-formylamino-6-ribosylamino-4(3H)-pyrimidinone 5'-phosphate|N-[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]-5-O-phosphono-beta-D-ribofuranosylamine http://purl.obolibrary.org/obo/CHEBI_11515 3_STAR
CHEBI:115239 biolink:ChemicalSubstance 3-quinuclidinol Quinuclidine in which a hydrogen atom at position 3 is substituted by a hydroxy group. CAS:1619-34-7|PMID:8487254|Patent:US2648667 phenio.json (+-)-3-quinuclidinol|1-Aza-bicyclo[2.2.2]octan-3-ol|1-azabicyclo[2.2.2]octan-3-ol|3-hydroxy-1-azabicyclo[2.2.2]octane|3-hydroxyquinuclidine|quinuclidin-3-ol http://purl.obolibrary.org/obo/CHEBI_115239 3_STAR
CHEBI:11561 biolink:ChemicalSubstance 2-dehydropantoate A 2-oxo monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 2-dehydropantoic acid. DrugBank:DB03795|KEGG:C00966|MetaCyc:2-DEHYDROPANTOATE phenio.json 2-Dehydropantoate|2-dehydropantoate|4-hydroxy-3,3-dimethyl-2-oxobutanoate http://purl.obolibrary.org/obo/CHEBI_11561 3_STAR
CHEBI:11563 biolink:ChemicalSubstance 2-deoxy-alpha-D-ribose 1-phosphate The alpha-anomer of 2-deoxy-D-ribofuranose 1-phosphate. CAS:17210-42-3|KEGG:C00672|Reaxys:12467 phenio.json 2-Deoxy-alpha-D-ribose 1-phosphate|2-deoxy-1-O-phosphono-alpha-D-erythro-pentofuranose|2-deoxy-alpha-D-erythro-pentofuranose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_11563 3_STAR
CHEBI:11594 biolink:ChemicalSubstance 2-coumarate A coumarate that is the conjugate base of 2-coumaric acid. Beilstein:7022193|Gmelin:1146630 phenio.json 3-(2-hydroxyphenyl)acrylate|3-(2-hydroxyphenyl)prop-2-enoate http://purl.obolibrary.org/obo/CHEBI_11594 3_STAR
CHEBI:11596 biolink:ChemicalSubstance 2-hydroxyglutarate(2-) A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 2-hydroxyglutaric acid. MetaCyc:2-HYDROXYGLUTARIC_ACID|Reaxys:5736650 phenio.json 2-hydroxyglutarate|2-hydroxypentanedioate http://purl.obolibrary.org/obo/CHEBI_11596 3_STAR
CHEBI:11614 biolink:ChemicalSubstance 2-methylbut-2-enoyl-coenzyme A An alk-2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methylbut-2-enoic acid. phenio.json 2-methylbut-2-enol-coenzyme A|2-methylcrotonoyl-CoA|2-methylcrotonoyl-coenzyme A|2-methylcrotonyl-CoA|2-methylcrotonyl-coenzyme A|3'-phosphoadenosine 5'-[3-(3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl) dihydrogen diphosphate]|Methylcrotonyl-coa|alpha-methylcrotonoyl-CoA|alpha-methylcrotonoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_11614 3_STAR
CHEBI:116225 biolink:ChemicalSubstance nomifensine An N-methylated tetrahydroisoquinoline carrying phenyl and amino substituents at positions C-4 and C-8, respectively. CAS:24526-64-5|DrugBank:DB04821|Drug_Central:1958|LINCS:LSM-4388|PMID:1502708|PMID:24766210|PMID:7189402|Reaxys:484561 phenio.json (+-)-Nomifensin|(+-)-Nomifensine|2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinolin-8-ylamine|2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinolin-8-amine|8-Amino-2-methyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline|D,L-nomifensine|Nomifenison|Nomifensin|Nomifensine|Nomiphensine|R/S-nomifensine|nomifensina|nomifensine|nomifensinum http://purl.obolibrary.org/obo/CHEBI_116225 3_STAR
CHEBI:116278 biolink:ChemicalSubstance lomefloxacin A fluoroquinolone antibiotic, used (generally as the hydrochloride salt) to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent urinary tract infections prior to surgery. Beilstein:4210041|CAS:98079-51-7|DrugBank:DB00978|Drug_Central:1594|KEGG:C07078|KEGG:D02318|LINCS:LSM-5145|PMID:11195849|PMID:3134843|PMID:3348607|PMID:3476021|Patent:DE3433924|Patent:US4528287|Wikipedia:Lomefloxacin phenio.json (+-)-1-ethyl-6,8-difluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid|1,4-Dihydro-6,8-difluoro-1-ethyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid|1-ethyl-6,8-difluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid|LFLX|Lomefloxacine|Lomefloxacino|Lomefloxacinum|lomefloxacin http://purl.obolibrary.org/obo/CHEBI_116278 3_STAR
CHEBI:116314 biolink:ChemicalSubstance oleamide A fatty amide derived from oleic acid. CAS:301-02-0|HMDB:HMDB0002117|LIPID_MAPS_instance:LMFA08010004|PMID:11681856|PMID:17445087|PMID:23078175|PMID:24253045|Reaxys:1726539|Wikipedia:Oleamide phenio.json (9Z)-9-Octadecenamide|(9Z)-octadec-9-enamide|(9Z)-octadecenamide|(Z)-9-Octadecenamide|(Z)-Octadec-9-enoic acid amide|9-Octadecenamide|9Z-octadecenamide|Oleic acid amide|Oleyl amide|Oleylamide|cis-9,10-Octadecenoamide http://purl.obolibrary.org/obo/CHEBI_116314 3_STAR
CHEBI:11641 biolink:ChemicalSubstance 2-oxopent-4-enoate KEGG:C00596|UM-BBD_compID:c0042 phenio.json 2-Oxopent-4-enoate|2-oxopent-4-enoate|Oxopent-4-enoate http://purl.obolibrary.org/obo/CHEBI_11641 3_STAR
CHEBI:116509 biolink:ChemicalSubstance diuron A member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. CAS:330-54-1|KEGG:C18428|LINCS:LSM-25609|MetaCyc:CPD-16775|PMID:10866370|PMID:17142046|PMID:17449247|PMID:23081760|PMID:33400299|PPDB:260|Patent:CN103120180|Patent:CN103125511|Patent:US2768971|Pesticides:diuron|Reaxys:2215168|Wikipedia:Diuron phenio.json 1,1-dimethyl-3-(3,4-dichlorophenyl)urea|1-(3,4-dichlorophenyl)-3,3-dimethylurea|1-(3,4-dichlorophenyl)-3,3-dimethyluree|3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoff|3-(3,4-Dichloro-phenyl)-1,1-dimethyl-urea|3-(3,4-dichlorophenyl)-1,1-dimethylurea|DCMU|N'-(3,4-dichlorophenyl)-N,N-dimethylurea|N,N,-dimethyl-N'-(3,4-dichlorophenyl)urea|N-(3,4-dichlorophenyl)-N',N'-dimethylurea|diuron http://purl.obolibrary.org/obo/CHEBI_116509 3_STAR
CHEBI:11656 biolink:ChemicalSubstance 2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid phenio.json 2-(3-carboxypropanoyl)-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_11656 3_STAR
CHEBI:116735 biolink:ChemicalSubstance benzocaine A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina. Beilstein:638434|CAS:94-09-7|DrugBank:DB01086|Drug_Central:323|HMDB:HMDB0004992|KEGG:C07527|KEGG:D00552|LINCS:LSM-5830|PMID:10866370|PMID:1155304|PMID:12574744|PMID:12873507|PMID:16640711|PMID:18971079|PMID:21616561|PMID:22015737|PMID:22105694|PMID:22551703|PMID:22556388|PMID:23301559|PMID:23565580|PMID:23696166|PMID:25097477|PMID:2579237|PMID:29079364|Reaxys:638434|Wikipedia:Benzocaine phenio.json 4-aminobenzoic acid ethyl ester|Amben ethyl ester|Benzocaina|Benzocaine|Benzocainum|Ethyl aminobenzoate|Ethyl p-aminobenzoate|Ethyl p-aminophenylcarboxylate|ethyl 4-aminobenzoate|p-(Ethoxycarbonyl)aniline|p-Carbethoxyaniline|p-Ethoxycarboxylic aniline http://purl.obolibrary.org/obo/CHEBI_116735 3_STAR
CHEBI:11684 biolink:ChemicalSubstance 3,3',5'-triiodo-L-thyronine The L-enantiomer of 3,3',5'-triiodothyronine. Beilstein:2823535|CAS:5817-39-0|KEGG:C07639|PMID:30366665|PMID:34569083|PMID:34714056|PMID:34916749|PMID:38149630 phenio.json 3,3',5'-triiodo-L-thyronine|4-(4-hydroxy-3,5-diiodophenoxy)-3-iodo-L-phenylalanine|L-3,3',5'-triiodothyronine|O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-L-tyrosine|Reverse triiodothyronine|rT3|reverse L-triiodothyronine http://purl.obolibrary.org/obo/CHEBI_11684 3_STAR
CHEBI:116931 biolink:ChemicalSubstance nipecotic acid A piperidinemonocarboxylic acid that is piperidine in which one of the hydrogens at position 3 is substituted by a carboxylic acid group. Beilstein:81096|CAS:498-95-3|Gmelin:1782986|LINCS:LSM-6517|Patent:US3159639 phenio.json 3-piperidinecarboxylic acid|Piperidine-3-carboxylic acid|hexahydronicotinic acid|piperidine-3-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_116931 3_STAR
CHEBI:116962 biolink:ChemicalSubstance fosinoprilat A phosphinic acid-containing N-acyl derivative of (4S)-cyclohexyl-L-proline. An inhibitor of angiotensin converting enzyme (ACE), it is used as the phosphinate ester pro-drug fosinopril for treatment of hypertension and chronic heart failure. CAS:95399-71-6|KEGG:D03772|PMID:10606834|PMID:17482898|PMID:7751424|PMID:9549638|Reaxys:6492772 phenio.json (2S,4S)-4-cyclohexyl-1-{2-[hydroxy(4-phenylbutyl)phosphoryl]acetyl}pyrrolidine-2-carboxylic acid|(2S,4S)-4-cyclohexyl-1-{2-[hydroxy-(4-phenyl-butyl)-phosphinoyl]-acetyl}-pyrrolidine-2-carboxylic acid|(4S)-4-cyclohexyl-1-((hydroxy(4-phenylbutyl)phosphinyl)acetyl)-L-proline|(4S)-4-cyclohexyl-1-{[hydroxy(4-phenylbutyl)phosphoryl]acetyl}-L-proline|4-Cyclohexyl-1-{2-[hydroxy-(4-phenyl-butyl)-phosphinoyl]-acetyl}-pyrrolidine-2-carboxylic acid|fosinopril diacid|fosinoprilat|fosinoprilatum|fosinoprilic acid http://purl.obolibrary.org/obo/CHEBI_116962 3_STAR
CHEBI:11750 biolink:ChemicalSubstance 3-sn-phosphatidyl-L-serine A 3-sn-glycerophosphoserine compound having acyl substituents at the 1- and 2-hydroxy positions. KEGG:C02737|LIPID_MAPS_instance:LMGP03010000|PMID:16341241 phenio.json 1,2-diacyl-sn-glycero-3-phospho-L-serine|1,2-diacyl-sn-glycerol 3-phospho-L-serine|1-D-phosphatidyl-L-serine|3-L-phosphatidyl-L-serine|3-O-sn-phosphatidyl-L-serine|3-sn-phosphatidyl-L-serines|L-alpha-phosphatidylserine http://purl.obolibrary.org/obo/CHEBI_11750 3_STAR
CHEBI:1178 biolink:ChemicalSubstance (2S)-2-isopropylmalate(2-) A 2-isopropylmalate(2-) with S-configuration at the chiral centre. KEGG:C02504|MetaCyc:3-CARBOXY-3-HYDROXY-ISOCAPROATE phenio.json (2S)-2-Isopropylmalate|(2S)-2-hydroxy-2-(propan-2-yl)butanedioate|(2S)-2-isopropylmalate http://purl.obolibrary.org/obo/CHEBI_1178 3_STAR
CHEBI:11791 biolink:ChemicalSubstance 3-deoxy-D-manno-octulosonic acid An eight-membered ketoaldonic acid having D-manno configuration phenio.json 3-deoxy-D-manno-octulosonic acid http://purl.obolibrary.org/obo/CHEBI_11791 3_STAR
CHEBI:11805 biolink:ChemicalSubstance 3-hydroxyisobutyrate KEGG:C01188 phenio.json 3-Hydroxy-2-methylpropanoate|3-Hydroxyisobutyrate|3-hydroxy-2-isobutyrate|3-hydroxy-2-methylpropanoate|3-hydroxy-2-methylpropionate http://purl.obolibrary.org/obo/CHEBI_11805 3_STAR
CHEBI:11807 biolink:ChemicalSubstance 5-hydroxy-6-methylpyridine-3,4-dicarboxylate phenio.json 5-hydroxy-6-methylpyridine-3,4-dicarboxylate http://purl.obolibrary.org/obo/CHEBI_11807 3_STAR
CHEBI:11812 biolink:ChemicalSubstance 3-hydroxy-3-methyl-2-oxobutanoate KEGG:C04181 phenio.json 2-Oxo-3-hydroxyisovalerate|3-Hydroxy-3-methyl-2-oxobutanoate|3-hydroxy-3-methyl-2-oxobutanoate http://purl.obolibrary.org/obo/CHEBI_11812 3_STAR
CHEBI:11814 biolink:ChemicalSubstance 3-hydroxy-3-methylglutaryl-CoA An alpha,omega dicarboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of 3-hydroxy-3-methylglutaric acid. PMID:20640529|PMID:9160173 phenio.json (4-carboxy-3-hydroxy-3-methylbutanoyl)-CoA|(4-carboxy-3-hydroxy-3-methylbutanoyl)-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxy-3-hydroxy-3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-hydroxy-3-methylglutaryl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_11814 3_STAR
CHEBI:1184 biolink:ChemicalSubstance maleylacetic acid A 4-oxohex-2-enedioic acid with a Z-configuration. CAS:24740-88-3|KEGG:C02222|KNApSAcK:C00013593|PMID:24252642|PMID:25058513|Reaxys:8544937 phenio.json (2Z)-4-oxohex-2-enedioic acid|(Z)-4-oxo-2-hexenedioic acid|2-Maleylacetate|4-Oxohex-2-enedioate|Maleylacetate http://purl.obolibrary.org/obo/CHEBI_1184 3_STAR
CHEBI:11851 biolink:ChemicalSubstance 3-methyl-2-oxobutanoate A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxobutanoic acid, arising from deprotonation of the carboxy group. KEGG:C00141|MetaCyc:2-KETO-ISOVALERATE|PMID:9748245|Reaxys:3661467 phenio.json 2-Oxo-3-methylbutanoate|2-Oxoisopentanoate|2-Oxoisovalerate|3-methyl-2-oxobutanoate|3-methyl-2-oxobutyrate|alpha-keto-isovalerate http://purl.obolibrary.org/obo/CHEBI_11851 3_STAR
CHEBI:11867 biolink:ChemicalSubstance 3-oxo-5beta-cholanate phenio.json 3-oxo-5beta-cholan-24-oate http://purl.obolibrary.org/obo/CHEBI_11867 3_STAR
CHEBI:11892 biolink:ChemicalSubstance N-carbamoyl-beta-alaninate A monocarboxylic acid anion that is the conjugate base of N-carbamoyl-beta-alanine arising from deprotonation of the carboxy group. Gmelin:675229|Reaxys:3663255 phenio.json 3-(carbamoylamino)propanoate|3-[(aminocarbonyl)amino]propanoate|3-ureidopropanoate|3-ureidopropionate|ureidopropanoate|ureidopropionate http://purl.obolibrary.org/obo/CHEBI_11892 3_STAR
CHEBI:11893 biolink:ChemicalSubstance 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate phenio.json 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oate|3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate http://purl.obolibrary.org/obo/CHEBI_11893 3_STAR
CHEBI:119 biolink:ChemicalSubstance D-synephrine The D-enantiomer of synephrine. CAS:614-35-7|HMDB:HMDB0004826|KEGG:C01869|MetaCyc:1-4-HYDROXYPHENYL-2-METHYLAMINOETHAN|PMID:8255371|PMID:8833327|Reaxys:3198818 phenio.json (-)-4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol|(-)-Oxedrine|(-)-Sympatol|(-)-Synephrine|(-)-p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol|4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol|D(-)-Synephrine http://purl.obolibrary.org/obo/CHEBI_119 3_STAR
CHEBI:11901 biolink:ChemicalSubstance 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate Conjugate base of 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid; major species at pH 7.3. phenio.json 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oate|3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanate http://purl.obolibrary.org/obo/CHEBI_11901 3_STAR
CHEBI:11909 biolink:ChemicalSubstance 3beta-hydroxy-5alpha-pregnan-20-one Beilstein:2219963|CAS:516-55-2|KEGG:C15484 phenio.json (3beta,5alpha)-3-hydroxypregnan-20-one|3beta-Hydroxy-5alpha-pregnane-20-one|3beta-hydroxy-5alpha-pregnan-20-one|3beta-hydroxy-5alpha-pregnane-20-one|5alpha-pregnan-3beta-ol-20-one|allopregnan-3beta-ol-20-one http://purl.obolibrary.org/obo/CHEBI_11909 3_STAR
CHEBI:11935 biolink:ChemicalSubstance 4-(beta-D-glucosyloxy)benzoate A benzoate resulting from the removal of a proton from the carboxylic acid group of 4-(beta-D-glucosyloxy)benzoic acid. KEGG:C03993 phenio.json 4-(beta-D-Glucosyloxy)benzoate|4-(beta-D-glucopyranosyloxy)benzoate|4-(beta-D-glucosyloxy)benzoate http://purl.obolibrary.org/obo/CHEBI_11935 3_STAR
CHEBI:11944 biolink:ChemicalSubstance 4-(hydroxymethyl)benzenesulfonate An arenesulfonate that is the conjugate base of 4-(hydroxymethyl)benzenesulfonic acid, obtained by deprotonation of the sulfonic acid group. UM-BBD_compID:c0302 phenio.json 4-(hydroxymethyl)benzenesulfonate http://purl.obolibrary.org/obo/CHEBI_11944 3_STAR
CHEBI:11946 biolink:ChemicalSubstance 4-(trimethylammonio)but-2-enoate Beilstein:3904235 phenio.json 4-(trimethylammonio)but-2-enoate http://purl.obolibrary.org/obo/CHEBI_11946 3_STAR
CHEBI:119486 biolink:ChemicalSubstance efavirenz 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection. CAS:154598-52-4|DrugBank:DB00625|Drug_Central:989|HMDB:HMDB0014763|KEGG:C08088|KEGG:D00896|LINCS:LSM-5526|PDBeChem:EFZ|PMID:10576692|PMID:10673109|PMID:25017682|Patent:EP582455|Patent:US5519021|Reaxys:7387333|Wikipedia:Efavirenz phenio.json (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE|(4S)-6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-1,4-dihydro-2H-3,1-benzoxazin-2-one|(S)-6-chloro-4-(cyclopropylethynyl)-1,4-dihydro-4-(trifluoromethyl)-2H-3,1-benzoxazin-2-one|(S)-6-chloro-4-cyclopropylethynyl-4-trifluoromethyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one|6-chloro-4-(2-cyclopropyl-1-ethynyl)-4-trifluoromethyl-(4S)-1,4-dihydro-2H-benzo[d][1,3]oxazin-2-one|Efavirenz http://purl.obolibrary.org/obo/CHEBI_119486 3_STAR
CHEBI:11951 biolink:ChemicalSubstance 4-acetamidobutanoate A monocarboxylic acid anion that is the conjugate base of 4-acetamidobutanoic acid, arising from deprotonation of the carboxy group. KEGG:C02946|MetaCyc:CPD-35|PMID:4156831 phenio.json 4-acetamidobutanoate|N-acetyl-4-aminobutyrate|N-acetyl-gamma-aminobutyrate|N4-Acetylaminobutanoate http://purl.obolibrary.org/obo/CHEBI_11951 3_STAR
CHEBI:11955 biolink:ChemicalSubstance 4-amino-3-hydroxybutanoate The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group. CAS:352-21-6|KEGG:C03678 phenio.json 4-Amino-3-hydroxybutanoate http://purl.obolibrary.org/obo/CHEBI_11955 3_STAR
CHEBI:119573 biolink:ChemicalSubstance delavirdine The amide resulting from the formal condensation of 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylic acid and 4-amino group of 1-[3-(isopropylamino)pyridin-2-yl]piperazine, delavirdine is a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection. CAS:136817-59-9|DrugBank:DB00705|Drug_Central:799|KEGG:C06941|KEGG:D07782|PDBeChem:SPP|PMID:11124228|PMID:11225565|PMID:11327199|PMID:11363651|PMID:11363709|PMID:11364022|PMID:11364099|PMID:11364363|PMID:11364481|PMID:11590527|PMID:16449090|PMID:21080015|PMID:21683601|PMID:21865017|Patent:WO9109849|Reaxys:6356813|Wikipedia:Delavirdine phenio.json (N-[2-[4-[3-(1-methylethylamino)pyridin-2-yl]piperazin-1-yl]carbonyl-1H-indol-5-yl] methanesulfonamide)|1-(3-((1-methylethyl)amino)-2-pyridinyl)-4-((5-((methylsulfonyl)amino)-1H-indol-2-yl)carbonyl)piperazine|2-(4-(5-methanesulfonamido-1H-indol-2-ylcarbonyl)-1-piperazinyl)-N-(1-methylethyl)-3-pyridinamine|Delavirdine|N-(2-(1-(3-(isopropylamino)pyridin-2-yl)piperazine-4-carbonyl)-1H-indol-5-yl)methanesulfonamide|N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide|N-{2-[4-(3-Isopropylamino-pyridin-2-yl)-piperazine-1-carbonyl]-1H-indol-5-yl}-methanesulfonamide|delavirdine http://purl.obolibrary.org/obo/CHEBI_119573 3_STAR
CHEBI:11972 biolink:ChemicalSubstance 4-carboxymethylenebut-2-en-4-olide A butenolide having a carboxymethylene group at the 4-position. Beilstein:3111 phenio.json (5-oxofuran-2(5H)-ylidene)acetic acid http://purl.obolibrary.org/obo/CHEBI_11972 3_STAR
CHEBI:11986 biolink:ChemicalSubstance 4-fluoro-L-threonine Beilstein:4372061|CAS:102130-93-8|KEGG:C15533 phenio.json (2S,3S)-2-amino-4-fluoro-3-hydroxybutanoic acid|4-fluoro-L-threonine|4-fluorothreonine http://purl.obolibrary.org/obo/CHEBI_11986 3_STAR
CHEBI:11987 biolink:ChemicalSubstance 4-formylbenzenesulfonate An arenesulfonate that is the conjugate base of 4-formylbenzenesulfonic acid, obtained by deprotonation of the sulfonic acid group. UM-BBD_compID:c0303 phenio.json 4-formylbenzenesulfonate http://purl.obolibrary.org/obo/CHEBI_11987 3_STAR
CHEBI:119915 biolink:ChemicalSubstance fentanyl A monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid. CAS:437-38-7|DrugBank:DB00813|Drug_Central:1164|KEGG:D00320|PMID:10669565|PMID:10987438|PMID:11585443|PMID:14698188|PMID:16621415|PMID:18462178|PMID:18728103|PMID:30176422|PMID:30305277|Patent:FR1344366|Patent:US3164600|Reaxys:494484|VSDB:1864|Wikipedia:Fentanyl phenio.json 1-phenethyl-4-(N-phenylpropionamido)piperidine|1-phenethyl-4-N-propionylanilinopiperidine|Duragesic|N-(1-phenethyl-4-piperidinyl)-N-phenylpropionamide|N-(1-phenethyl-4-piperidyl)propionanilide|N-(1-phenethyl-piperidin-4-yl)-N-phenyl-propionamide|N-(1-phenethylpiperidin-4-yl)-N-phenylpropionamide|N-phenethyl-4-(N-propionylanilino)piperidine|N-phenyl-N-(1-(2-phenylethyl)-4-piperidinyl)propanamide|N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide|fentanilo|fentanyl|fentanylum|phentanyl http://purl.obolibrary.org/obo/CHEBI_119915 3_STAR
CHEBI:12040 biolink:ChemicalSubstance 4-oxohex-2-enedioate An oxo dicarboxylate that is the conjugate base of 4-oxohex-2-enedioic acid. phenio.json 4-oxohex-2-enedioate http://purl.obolibrary.org/obo/CHEBI_12040 3_STAR
CHEBI:12060 biolink:ChemicalSubstance 5'-deoxy-5'-fluoroadenosine Beilstein:40576|DrugBank:DB03716 phenio.json 5'-deoxy-5'-fluoroadenosine|5'-fluoro-5'-deoxyadenosine|6-amino-9-(5-deoxy-5-fluoro-beta-D-ribofuranosyl)-9H-purine|9-(5-deoxy-5-fluoro-beta-D-ribofuranosyl)-9H-purin-6-amine http://purl.obolibrary.org/obo/CHEBI_12060 3_STAR
CHEBI:12071 biolink:ChemicalSubstance 5,10-methylenetetrahydrofolate(2-) phenio.json 5,10-methylenetetrahydrofolate|N-{4-[3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamate http://purl.obolibrary.org/obo/CHEBI_12071 3_STAR
CHEBI:12109 biolink:ChemicalSubstance 5-aminolevulinate Beilstein:3937762 phenio.json 5-amino-4-oxopentanoate http://purl.obolibrary.org/obo/CHEBI_12109 3_STAR
CHEBI:12113 biolink:ChemicalSubstance 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3-) A tricarboxylic acid trianion that is the conjugate base of 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid. phenio.json 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate http://purl.obolibrary.org/obo/CHEBI_12113 3_STAR
CHEBI:121196 biolink:ChemicalSubstance reumycin A pyrimidotriazine that is 6-methyl-5,6,7,8-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 6. CAS:5016-18-2|LINCS:LSM-32639|MetaCyc:CPD-21062|PMID:1656661|PMID:3566230|PMID:4026251|PMID:4062279|PMID:4322358|PMID:4792066|PMID:5907865|PMID:6486750|Reaxys:614208 phenio.json 1-demethyltoxoflavin|6-methyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione|6-methyl-pyrimido-[5,4-e]-as-triazine-5,7(6H,8H)-dione|6-methylpyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione|reumicine|reumitsin|reumycin|rheumycin|rheumygin http://purl.obolibrary.org/obo/CHEBI_121196 3_STAR
CHEBI:12154 biolink:ChemicalSubstance 5-oxohexanoate An oxo fatty acid anion that is the conjugate base of 5-oxohexanoic acid, arising from deprotonation of the carboxy group. phenio.json 4-acetylbutyrate|5-ketocaproate|5-ketohexanoate|5-oxohexanoate|delta-ketocaproate|delta-oxocaproate|gamma-acetylbutyrate http://purl.obolibrary.org/obo/CHEBI_12154 3_STAR
CHEBI:12164 biolink:ChemicalSubstance 5-phosphoribosyl diphosphate A ribose diphosphate carrying an additional phosphate group at position 5. phenio.json http://purl.obolibrary.org/obo/CHEBI_12164 3_STAR
CHEBI:12194 biolink:ChemicalSubstance 6-(N-acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol The alpha-anomer of 6-(N-acetyl-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol. KEGG:C01288|KEGG:G00143 phenio.json 6-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)-1-O-(3-sn-phosphatidyl)-1D-myo-inositol|6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol http://purl.obolibrary.org/obo/CHEBI_12194 3_STAR
CHEBI:12195 biolink:ChemicalSubstance 6-O-(N-acetyl-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol phenio.json 6-O-(2-acetamido-2-deoxy-D-glucopyranosyl)-1-O-(3-sn-phosphatidyl)-1D-myo-inositol http://purl.obolibrary.org/obo/CHEBI_12195 3_STAR
CHEBI:122 biolink:ChemicalSubstance (-)-usnic acid The (-)-enantiomer of usnic acid. Beilstein:4719209|Beilstein:96698|CAS:6159-66-6|KEGG:C10101|KNApSAcK:C00002413|LIPID_MAPS_instance:LMPK13060002|MetaCyc:CPD-7411 phenio.json (-)-Usnic acid|(9bS)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one|(S)-Usnic acid|(S)-usnate http://purl.obolibrary.org/obo/CHEBI_122 3_STAR
CHEBI:12256 biolink:ChemicalSubstance 7-hydroxyisoflavone The simplest member of the class of 7-hydroxyisoflavones that is isoflavone with a hydroxy substituent at position 7. CAS:13057-72-2|CBA:568259|KEGG:C15615|PMID:16864424|PMID:21562980|PMID:22175340|Patent:EP0941992|Reaxys:193534 phenio.json 4H-1-Benzopyran-4-one, 7-hydroxy-3-phenyl-|7-hydroxy-3-phenyl-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_12256 3_STAR
CHEBI:12266 biolink:ChemicalSubstance 8-amino-7-oxononanoate KEGG:C01092 phenio.json 8-Amino-7-oxononanoate|8-amino-7-oxononanoate http://purl.obolibrary.org/obo/CHEBI_12266 3_STAR
CHEBI:1230 biolink:ChemicalSubstance sophorose A glycosylglucose that is D-glucopyranose attached to a beta-D-glucopyranosyl unit at position 2 via a glycosidic linkage. CAS:20429-79-2|KEGG:C08250|KNApSAcK:C00001149|MetaCyc:CPD-13242|PMID:14469205|PMID:24655731|PMID:39061|Wikipedia:Sophorose phenio.json 2-O-beta-D-Glucopyranosyl-D-glucopyranose|2-O-beta-D-Glucopyranosyl-D-glucose|2-O-beta-D-glucopyranosyl-D-glucopyranose|2-O-beta-D-glucopyranosyl-D-glucose|Sophorose|beta-D-Glc-(1->2)-D-Glc|beta-D-glucopyranosyl-(1->2)-D-glucopyranose|sophorose http://purl.obolibrary.org/obo/CHEBI_1230 3_STAR
CHEBI:1233 biolink:ChemicalSubstance 3-(all-trans-octaprenyl)benzene-1,2-diol A 3-(all-trans-polyprenyl)benzene-1,2-diol in which the substituent at position 3 is an all-trans-octaprenyl moiety. KEGG:C05811|MetaCyc:2-OCTAPRENYL-6-HYDROXYPHENOL|PMID:10419476|PMID:8703953 phenio.json 2-Octaprenyl-6-hydroxyphenol|3-(all-trans-octaprenyl)benzene-1,2-diol|3-Octaprenylcatechol|3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_1233 3_STAR
CHEBI:12336 biolink:ChemicalSubstance alpha-cyclopiazonic acids phenio.json alpha-Cyclopiazonsaeure|alpha-Zyklopiazonsaeure http://purl.obolibrary.org/obo/CHEBI_12336 3_STAR
CHEBI:1235 biolink:ChemicalSubstance 2-methoxy-6-(all-trans-octaprenyl)phenol A 2-methoxy-6-(all-trans-polyprenyl)phenol in which the substituent at position 6 is an all-trans-octaprenyl moiety. KEGG:C05812|MetaCyc:2-OCTAPRENYL-6-METHOXYPHENOL|PMID:10419476|PMID:8703953 phenio.json 2-Octaprenyl-6-methoxyphenol|2-methoxy-6-(all-trans-octaprenyl)phenol|2-methoxy-6-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]phenol|6-methoxy-2-octaprenylphenol http://purl.obolibrary.org/obo/CHEBI_1235 3_STAR
CHEBI:12350 biolink:ChemicalSubstance beta-D-fructofuranose 2-phosphate The beta-anomer of D-fructofuranose 2-phosphate. Beilstein:1386343|CAS:19046-69-6|KEGG:C03267 phenio.json 2-O-phosphono-beta-D-fructofuranose|2-phospho-beta-D-fructofuranose|beta-D-Fructofuranose 2-phosphate|beta-D-Fructose 2-phosphate|beta-D-fructofuranose 2-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_12350 3_STAR
CHEBI:12387 biolink:ChemicalSubstance beta-L-fucose 1-phosphate The beta-anomer of L-fucose 1-phosphate. Beilstein:1685243|CAS:28553-11-9|KEGG:C02985 phenio.json 6-Deoxy-L-galactose 1-phosphate|6-deoxy-1-O-phosphono-beta-L-galactopyranose|6-deoxy-beta-L-galactopyranose 1-(dihydrogen phosphate)|Fucopyranosyl phosphate|Fucose 1-phosphate|beta-L-Fucose 1-phosphate|beta-L-fucopyranose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_12387 3_STAR
CHEBI:12427 biolink:ChemicalSubstance N,N'-diacetylchitobiosyldiphosphodolichol KEGG:C04537|KEGG:G00002 phenio.json N,N'-Diacetylchitobiosyldiphosphodolichol http://purl.obolibrary.org/obo/CHEBI_12427 3_STAR
CHEBI:124938 biolink:ChemicalSubstance 2-propyl-2-pentenoic acid LINCS:LSM-36397 phenio.json http://purl.obolibrary.org/obo/CHEBI_124938 2_STAR
CHEBI:124939 biolink:ChemicalSubstance N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group. LINCS:LSM-44954 phenio.json 2-[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfonylmethyl]anilino]acetic acid|N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine|[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetic acid http://purl.obolibrary.org/obo/CHEBI_124939 3_STAR
CHEBI:124991 biolink:ChemicalSubstance cefalotin A semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections. Beilstein:945586|CAS:153-61-7|DrugBank:DB00456|Drug_Central:574|HMDB:HMDB0014599|KEGG:C07761|KEGG:D07635|LINCS:LSM-15184|PDBeChem:CLS|PMID:10930630|PMID:12569987|PMID:12833570|PMID:1384868|PMID:13963283|PMID:1701026|PMID:2083978|PMID:23472927|PMID:23680238|PMID:29017833|PMID:6176550|Patent:FR1384197|Patent:US3218318|Reaxys:945586|Wikipedia:Cephalothin phenio.json (6R,7R)-3-(acetoxymethyl)-8-oxo-7-(thiophen-2-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|3-Acetoxymethyl-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid|7-(2'-thienylacetamido)cephalosporanic acid|7-(2-Thienylacetamido)cephalosporanic acid|7-(Thiophene-2-acetamido)cephalosporin|7beta-(thiophen-2-ylacetamido)-3-acetoxymethyl-3,4-didehydrocepham-4-carboxylic acid|CEPHALOTHIN|CET|Cefalothin|Cefalotin|Cephalothin|Cephalotin|cefalotin|cefalotina|cefalotine|cefalotinum http://purl.obolibrary.org/obo/CHEBI_124991 3_STAR
CHEBI:125204 biolink:ChemicalSubstance 4-guanidinobenzoic acid Benzoic acid substituted at the para position by a guanidino group. CAS:16060-65-4|DrugBank:DB02459|PDBeChem:GBS|PMID:10848923|PMID:1144503|PMID:28166217|Patent:JP2004284982|Reaxys:2369015 phenio.json 4-Guanidino-benzoic acid|4-carbamimidamidobenzoic acid|p-guanidinobenzoic acid http://purl.obolibrary.org/obo/CHEBI_125204 3_STAR
CHEBI:125354 biolink:ChemicalSubstance plerixafor An azamacrocycle consisting of two cyclam rings connected by a 1,4-phenylenebis(methylene) linker. It is a CXCR4 chemokine receptor antagonist and a hematopoietic stem cell mobilizer. It is used in combination with grulocyte-colony stimulating factor (G-CSF) to mobilize hematopoietic stem cells to the perpheral blood for collection and subsequent autologous transplantation in patients with non-Hodgkin's lymphoma and multiple myeloma. CAS:110078-46-1|DrugBank:DB06809|Drug_Central:4410|HMDB:HMDB0015681|KEGG:D08971|LINCS:LSM-36826|PMID:17324009|PMID:18847313|PMID:24179472|PMID:26106388|PMID:26154069|PMID:26600122|PMID:27575003|PMID:28411174|PMID:29461034|PMID:30037618|PMID:30290049|PMID:30422351|PMID:30776910|PMID:7913308|Wikipedia:Plerixafor phenio.json 1,1'-(benzene-1,4-diyldimethanediyl)bis(1,4,8,11-tetraazacyclotetradecane)|1,1'-[1,4-phenylenebis(methylene)]bis(1,4,8,11-tetraazacyclotetradecane)|1-[[4-(1,4,8,11-tetrazacyclotetradec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane|AMD 3100|AMD-3100|AMD3100|JKL 169|JM3100|Mozobil|SDZ SID 791|plerixafor|plerixaforum http://purl.obolibrary.org/obo/CHEBI_125354 3_STAR
CHEBI:125372 biolink:ChemicalSubstance 1-methyl-1,2,3,4-tetrahydroisoquinoline LINCS:LSM-36851 phenio.json http://purl.obolibrary.org/obo/CHEBI_125372 2_STAR
CHEBI:125498 biolink:ChemicalSubstance 1,2,3,4-tetrahydroisoquinoline HMDB:HMDB0012489|LINCS:LSM-37002 phenio.json http://purl.obolibrary.org/obo/CHEBI_125498 2_STAR
CHEBI:125616 biolink:ChemicalSubstance 3-[2-(4-fluorophenyl)ethylamino]-1-methyl-4-(2-methyl-1H-indol-3-yl)pyrrole-2,5-dione LINCS:LSM-37170 phenio.json http://purl.obolibrary.org/obo/CHEBI_125616 2_STAR
CHEBI:126237 biolink:ChemicalSubstance enprofylline Xanthine bearing a propyl substituent at position 3. A bronchodilator, it is used for the symptomatic treatment of asthma and chronic obstructive pulmonary disease, and in the management of cerebrovascular insufficiency, sickle cell disease, and diabetic neuropathy. Beilstein:4189165|CAS:41078-02-8|DrugBank:DB00824|Drug_Central:1015|KEGG:D04006 phenio.json 3,7-dihydro-3-propyl-1H-purine-2,6-dione|3-Propyl-3,7-dihydro-purine-2,6-dione|3-n-propylxanthine|3-propyl-3,7-dihydro-1H-purine-2,6-dione|3-propylxanthine|Enprofylline|enprofilina|enprofylline|enprofyllinum http://purl.obolibrary.org/obo/CHEBI_126237 3_STAR
CHEBI:1269 biolink:ChemicalSubstance 2-polyprenylphenol A member of the class of phenols that is phenol in which the hydrogen at position 2 is replaced by a polyprenyl group. KEGG:C05807|MetaCyc:2-Polyprenyl-Phenol|PMID:17889824 phenio.json 2-(polyprenyl)phenol|a 2-polyprenylphenol http://purl.obolibrary.org/obo/CHEBI_1269 3_STAR
CHEBI:127342 biolink:ChemicalSubstance atomoxetine A secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents. CAS:83015-26-3|DrugBank:DB00289|Drug_Central:256|HMDB:HMDB0014434|KEGG:D07473|LINCS:LSM-2452|PMID:15338851|PMID:23048018|Reaxys:4318684|Wikipedia:Atomoxetine phenio.json (-)-Tomoxetine|(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine|Tomoxetina|Tomoxetinum|atomoxetine|tomoxetine http://purl.obolibrary.org/obo/CHEBI_127342 3_STAR
CHEBI:12755 biolink:ChemicalSubstance indol-3-ylacetyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of indol-3-ylacetic acid. KEGG:C15489 phenio.json 3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(1H-indol-3-ylacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]|S-(indol-3-ylacetyl)-CoA|S-(indol-3-ylacetyl)-coenzyme A|S-2-(indol-3-yl)acetyl-CoA|indol-3-ylacetyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_12755 3_STAR
CHEBI:12777 biolink:ChemicalSubstance vitamin A Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication. MetaCyc:Vitamin-A|Wikipedia:Vitamin_A phenio.json vitamin A vitamer|vitamin A vitamers|vitamin-A|vitamins A http://purl.obolibrary.org/obo/CHEBI_12777 3_STAR
CHEBI:127780 biolink:ChemicalSubstance phosphonoformic acid Phosphoric acid in which one of the hydroxy groups is replaced by a carboxylic acid group. It is used as the trisodium salt as an antiviral agent in the treatment of cytomegalovirus retinitis (CMV retinitis, an inflamation of the retina that can lead to blindness) and as an alternative to ganciclovir for AIDS patients who require concurrent antiretroviral therapy but are unable to tolerate ganciclovir due to haematological toxicity. CAS:4428-95-9|DrugBank:DB00529|Drug_Central:1241|HMDB:HMDB0014670|KEGG:C06456|KNApSAcK:C00000800|PDBeChem:PPF|PMID:11576919|PMID:15182735|PMID:16858125|PMID:19213941|PMID:19288498|PMID:21056575|PMID:21566148|PMID:7518199|Reaxys:1756501|Wikipedia:Foscarnet phenio.json FOSCARNET|Foscarmet|Foscarnet|PHOSPHONOFORMIC ACID|carboxyphosphonic acid|dihydroxyphosphanecarboxylic acid oxide|foscarnet|phosphonomethanoic acid http://purl.obolibrary.org/obo/CHEBI_127780 3_STAR
CHEBI:12834 biolink:ChemicalSubstance n-alkanal An aliphatic aldehyde obtained by formal oxygenation of one of the terminal methyl groups of any straight-chain alkane. phenio.json an n-alkanal http://purl.obolibrary.org/obo/CHEBI_12834 3_STAR
CHEBI:128458 biolink:ChemicalSubstance disodium cromoglycate An organic sodium salt that is the disodium salt of cromoglycic acid. Beilstein:3647577|CAS:15826-37-6|KEGG:D00526|PMID:12001789|PMID:19107959|PMID:26176755|PMID:26656593|PMID:26871132|PMID:26964003|PMID:3128591 phenio.json Cromoglycate disodium|Cromolyn sodium|DSCG|Dinatrium salz von 1,3-bis-(2-carboxychromon-5-yloxy)-2-hydroxypropan|Disodium 5,5'-((2-hydroxytrimethylene)bis(oxy))bis(4-oxo-4H-1-benzopyran-2-carboxylate)|FPL-670|Natrium cromoglicat|Sodium cromoglicate|Sodium cromoglycate|Sodium cromolyn|Sodium salt of 5-[3-(2-carboxy-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylic acid|disodium 5,5'-[(2-hydroxypropane-1,3-diyl)bis(oxy)]bis(4-oxo-4H-chromene-2-carboxylate)|disodium 5-[3-(2-carboxylato-4-oxo-4H-5-chromenyloxy)-2-hydroxypropoxy]-4-oxo-4H-2-chromenecarboxylate|disodium 5-{3-[(2-carboxylato-4-oxo-4H-chromen-5-yl)oxy]-2-hydroxypropoxy}-4-oxo-4H-chromene-2-carboxylate|disodium cromoglycate http://purl.obolibrary.org/obo/CHEBI_128458 3_STAR
CHEBI:12855 biolink:ChemicalSubstance (1S,2S)-cyclohexa-3,5-diene-1,2-diol Beilstein:2324500|Beilstein:4658202 phenio.json (1S,2S)-1,2-dihydrobenzene-1,2-diol|(1S,2S)-cyclohexa-3,5-diene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_12855 3_STAR
CHEBI:12875 biolink:ChemicalSubstance trans-2-coumarate The trans-isomer of 2-coumarate. Gmelin:1342074 phenio.json (2E)-3-(2-hydroxyphenyl)acrylate|(2E)-3-(2-hydroxyphenyl)prop-2-enoate|trans-2-coumarate http://purl.obolibrary.org/obo/CHEBI_12875 3_STAR
CHEBI:128753 biolink:ChemicalSubstance (2E)-4-hydroxy-3-methylbut-2-enyl diphosphate(3-) An organophosphate oxoanion that is the trianion of (2E)-4-hydroxy-3-methylbut-2-enyl diphosphate arising from deprotonation of the three OH groups of the diphosphate. PMID:12657258|Reaxys:9274408 phenio.json (2E)-4-hydroxy-3-methylbut-2-enyl diphosphate|(2E)-4-hydroxy-3-methylbut-2-enyl diphosphate trianion|(2E)-4-hydroxy-3-methylbut-2-enyl pyrophosphate(3-)|(E)-4-hydroxy-3-methyl-but-2-enyl pyrophosphate|HMBPP http://purl.obolibrary.org/obo/CHEBI_128753 3_STAR
CHEBI:12876 biolink:ChemicalSubstance trans-4-coumarate The trans-isomer of 4-coumarate. Gmelin:2148756|MetaCyc:COUMARATE|Reaxys:5513651 phenio.json (2E)-3-(4-hydroxyphenyl)acrylate|(2E)-3-(4-hydroxyphenyl)prop-2-enoate|(E)-4-coumarate|trans-p-coumarate http://purl.obolibrary.org/obo/CHEBI_12876 3_STAR
CHEBI:128769 biolink:ChemicalSubstance isopentenyl diphosphate(3-) An organophosphate oxoanion that is the trianion of isopentenyl diphosphate arising from deprotonation of the three OH groups of the diphosphate. PMID:12657258|PMID:9873578|Reaxys:1824090 phenio.json 3-methylbut-3-en-1-yl diphosphate|3-methylbut-3-enyl diphosphate|3-methylbut-3-enyl diphosphate trianion|3-methylbut-3-enyl pyrophosphate|isopentenyl diphosphate|isopentenyl pyrophosphate http://purl.obolibrary.org/obo/CHEBI_128769 3_STAR
CHEBI:12886 biolink:ChemicalSubstance (R)-4'-phosphopantothenate(1-) phenio.json 3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanamido]propanoate http://purl.obolibrary.org/obo/CHEBI_12886 3_STAR
CHEBI:12931 biolink:ChemicalSubstance D-galactonate A galactonate compound having D-configuration. KEGG:C00880 phenio.json D-Galactonate|D-galactonate http://purl.obolibrary.org/obo/CHEBI_12931 3_STAR
CHEBI:12936 biolink:ChemicalSubstance D-galactose phenio.json D-Gal|D-galacto-hexose|D-galactose http://purl.obolibrary.org/obo/CHEBI_12936 3_STAR
CHEBI:12937 biolink:ChemicalSubstance D-galactose 6-phosphate phenio.json D-galactose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_12937 3_STAR
CHEBI:1294 biolink:ChemicalSubstance (20R,22R)-20,22-dihydroxycholesterol An oxysterol that is cholesterol substituted by hydroxy groups at positions 20 and 22 (the 20R,22R-stereoisomer). CAS:596-94-1|HMDB:HMDB0006763|KEGG:C05501|LIPID_MAPS_instance:LMST01010200|MetaCyc:20A-20B-DIHYDROXY-CHOLESTEROL|Reaxys:2339391 phenio.json (20R,22R)-20,22-Dihydroxycholesterol|(20R,22R)-20,22-dihydroxycholesterol|(22R)-20alpha,22-Dihydroxycholesterol|(22R)-cholest-5-ene-3beta,20,22-triol|20,22-Dihydroxycholesterol|20alpha,22R-Dihydroxycholesterol|20alpha,22beta-Dihydroxycholesterol http://purl.obolibrary.org/obo/CHEBI_1294 3_STAR
CHEBI:12952 biolink:ChemicalSubstance aldehydo-D-galacturonate KEGG:C00333 phenio.json D-Galacturonate|D-galacturonate|aldehydo-D-galacturonate http://purl.obolibrary.org/obo/CHEBI_12952 3_STAR
CHEBI:12962 biolink:ChemicalSubstance D-glucosamine 6-phosphate A glucosamine phosphate that is D-glucosamine substituted by a phosphate group at position 6. HMDB:HMDB0001254|PMID:11270676 phenio.json 2-amino-2-deoxy-6-O-phosphono-D-glucose|2-amino-2-deoxy-D-glucose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_12962 3_STAR
CHEBI:1301 biolink:ChemicalSubstance (22S)-22-hydroxycholesterol An oxysterol that is the 22S-hydroxy derivative of cholesterol. CAS:22348-64-7 phenio.json (22S)-22-hydroxycholesterol|(22S)-cholest-5-ene-3beta,22-diol|(3beta,22S)-Cholest-5-ene-3,22-diol http://purl.obolibrary.org/obo/CHEBI_1301 3_STAR
CHEBI:130181 biolink:ChemicalSubstance calmodulin antagonist An antagonist that interferes with the action of the calcium-binding messenger protein calmodulin. PMID:26717596 phenio.json http://purl.obolibrary.org/obo/CHEBI_130181 3_STAR
CHEBI:13022 biolink:ChemicalSubstance keto-D-sorbose Beilstein:1724559|CAS:3615-56-3 phenio.json (3R,4S,5R)-1,3,4,5,6-pentahydroxyhexan-2-one|keto-D-sorbose http://purl.obolibrary.org/obo/CHEBI_13022 3_STAR
CHEBI:13043 biolink:ChemicalSubstance 3-amino-L-alaninate phenio.json (2S)-2,3-diaminopropanoate|3-amino-L-alaninate http://purl.obolibrary.org/obo/CHEBI_13043 3_STAR
CHEBI:1307 biolink:ChemicalSubstance 24-methylenecycloartanol A pentacyclic triterpenoid that is (9beta)-24-methylene-9,19-cyclolanostane which carries a hydroxy group at position 3beta. It is isolated from several plant species including Euphorbia, Epidendrum, Psychotria and Sideritis. CAS:1449-09-8|FooDB:FDB014438|KEGG:C08830|KNApSAcK:C00003661|LIPID_MAPS_instance:LMST01100001|MetaCyc:CPD-696|PMID:10691725|PMID:13573499|PMID:14622971|PMID:17265335|PMID:17337022|PMID:17691046|PMID:28480734|PMID:4651646 phenio.json (3beta,9beta)-24-methylene-9,19-cyclolanostan-3-ol|24(28)-methylenecycloartanol|24-methylene cycloartanol|24-methylene-9beta,19-cyclo-lanostan-3beta-ol|24-methylene-9beta,19-cyclolanostan-3beta-ol|24-methylene-cycloartanol|24-methylenecycloartan-3beta-ol|24-methylenecycloartanol http://purl.obolibrary.org/obo/CHEBI_1307 3_STAR
CHEBI:13086 biolink:ChemicalSubstance L-aspartate 4-semialdehyde An alpha-amino-acid anion that is the conjugate base of L-aspartic 4-semialdehyde, arising from deprotonation of the carboxy group. KEGG:C00441 phenio.json (2S)-2-amino-4-oxobutanoate|Aspartate beta-semialdehyde|L-Aspartate 4-semialdehyde http://purl.obolibrary.org/obo/CHEBI_13086 3_STAR
CHEBI:130910 biolink:ChemicalSubstance (Z)-3-(4-iodophenyl)-2-mercaptoacrylic acid An organoiodine compound that is acrylic acid in which the vinylic hydrogens at positions 2 and 3 are replaced by mercapto and 4-iodophenyl groups respectively (the Z geoisomer). CAS:179528-45-1|PMID:25358543|PMID:25546626|PMID:25714701|PMID:25813209|PMID:25820375|PMID:25874633|PMID:26091952|PMID:26138287|PMID:26183016|PMID:26269309|PMID:26297661|PMID:26974350|Reaxys:10069045 phenio.json (2Z )-3-(4-iodophenyl)-2-sulfanylprop-2-enoic acid|3-(4-Iodophenyl)-2-mercapto-(Z)-2-propenoic acid|4'-iodo-2-mercaptocinnamic acid|PD 150,606|PD 150606|PD-150,606|PD-150606|PD150606 http://purl.obolibrary.org/obo/CHEBI_130910 3_STAR
CHEBI:13115 biolink:ChemicalSubstance L-gulonate The L-enantiomer of gulonate. KEGG:C00800 phenio.json Gulonate|L-Gulonate|L-gulonate http://purl.obolibrary.org/obo/CHEBI_13115 3_STAR
CHEBI:131174 biolink:ChemicalSubstance navitoclax A N-sulfonylcarboxamide resulting from the formal condensation of the carboxy group of 4-{4-[(4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro[biphenyl]-2-yl)methyl]piperazin-1-yl}benzoic acid with the amino group of 4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]benzenesulfonamide. It is a BH3-mimetic drug which targets the anti-apoptotic B-cell lymphoma-2 (BCL-2) family proteins, including BCL-2, BCL-xL, and BCL-w, and induces apoptosis in cancer cells. Currently under clinical investigation as treatment for solid tumors and hematologic malignancies. CAS:923564-51-6|Chemspider:21864722|DrugBank:DB12340|KEGG:D09935|LINCS:LSM-42776|LINCS:LSM-4738|PDBeChem:1XJ|PMCID:PMC6011937|PMID:18085673|PMID:23291630|PMID:26575826|PMID:26958630|PMID:28713162|PMID:28947240|PMID:29156797|PMID:29237758|PMID:29580266|PMID:29753379|PMID:29913235|PMID:30224339|PMID:30614795|PMID:30721730|PMID:30919222|PMID:31276572|PMID:31367332|PMID:31399555|PMID:31459977|PMID:32247610|PMID:32337074|PMID:32446890|PMID:32509782|PMID:32611834|PMID:32652830|PMID:32675749|PMID:32687646|Wikipedia:Navitoclax phenio.json 4-{4-[(4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro[biphenyl]-2-yl)methyl]piperazin-1-yl}-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide|A-855071.0|ABT 263|ABT-263|ABT263|navitoclax|navitoclaxum http://purl.obolibrary.org/obo/CHEBI_131174 3_STAR
CHEBI:131183 biolink:ChemicalSubstance N(gamma)-nitro-L-arginine methyl ester(1+) An organic cation that is the conjugate acid of N(gamma)-nitro-L-arginine methyl ester phenio.json http://purl.obolibrary.org/obo/CHEBI_131183 3_STAR
CHEBI:131186 biolink:ChemicalSubstance IP3 receptor antagonist An antagonist that binds to and deactivates IP3 receptors. Wikipedia:Inositol_trisphosphate_receptor phenio.json D-myo-inositol 1,4,5-trisphosphate receptor antagonist|D-myo-inositol 1,4,5-trisphosphate receptor antagonists|IP3 antagonist|IP3 antagonists|IP3 receptor antagonists|InsP3R antagonist|InsP3R antagonists|inositol trisphosphate receptor antagonist|inositol trisphosphate receptor antagonists http://purl.obolibrary.org/obo/CHEBI_131186 3_STAR
CHEBI:131198 biolink:ChemicalSubstance (Z)-1,2-ethenediol A diol that is ethene substituted at positions 1 and 2 by hydroxy groups (the Z-geoisomer). CAS:65144-74-3|Reaxys:1918635 phenio.json (Z)-ethene-1,2-diol|cis-1,2-Ethenediol http://purl.obolibrary.org/obo/CHEBI_131198 3_STAR
CHEBI:131327 biolink:ChemicalSubstance amodiaquine(1+) An organic cation obtained by protonation of the tertiary amino group of amodiaquine; major species at pH 7.3. PMID:26427316 phenio.json amodiaquine|amodiaquine cation http://purl.obolibrary.org/obo/CHEBI_131327 3_STAR
CHEBI:131337 biolink:ChemicalSubstance tricaine(1+) An organic cation obtained by protonation of the anilino function of tricaine. phenio.json 3-(ethoxycarbonyl)anilinium|tricaine cation http://purl.obolibrary.org/obo/CHEBI_131337 3_STAR
CHEBI:131358 biolink:ChemicalSubstance BAY 60-6583 A member of the class of cyanopyridines that is 6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-sulfanylpyridine in which the hydroxy and sulfanyl hydrogens are replaced by cyclopropylmethyl and carboxamidomethyl groups respectively. CAS:910487-58-0|PMID:24633424|PMID:25704806|PMID:25728851|PMID:26161239|PMID:26447087|Reaxys:15017054|Wikipedia:BAY_60-6583 phenio.json 2-({6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]pyridin-2-yl}sulfanyl)acetamide http://purl.obolibrary.org/obo/CHEBI_131358 3_STAR
CHEBI:131359 biolink:ChemicalSubstance adenosine A2B receptor agonist An agonist at the A2B receptor. phenio.json A2B agonist|A2B agonists|A2B receptor agonist|A2B receptor agonists|adenosine A2B receptor agonists http://purl.obolibrary.org/obo/CHEBI_131359 3_STAR
CHEBI:131367 biolink:ChemicalSubstance 3-hydroxy-3-butenoic acid A 3-hydroxymonocarboxylic acid that is the 3-hydroxy derivative of 3-butenoic acid. Chemspider:8637633 phenio.json 3-hydroxybut-3-enoic acid http://purl.obolibrary.org/obo/CHEBI_131367 3_STAR
CHEBI:131401 biolink:ChemicalSubstance hexopyranosyl hexopyranoside A disaccharide formed by a (1<->1)-glycosidic bond between two hexopyranose units. phenio.json hexopyranosyl hexopyranoside http://purl.obolibrary.org/obo/CHEBI_131401 3_STAR
CHEBI:131429 biolink:ChemicalSubstance carcinine A beta-alanine derivative that is the amide obtained by formal condensation of the carboxy group of beta-alanine with the primary amino group of histamine. CAS:56897-53-1|HMDB:HMDB0249666|PMID:15466447|PMID:15541487|PMID:16388826|PMID:18069895|PMID:20863274|PMID:21756141|PMID:21793899|PMID:2214737|PMID:2250571|PMID:22577078|PMID:2302959|PMID:2421673|PMID:24220875|PMID:26372004|PMID:26653853|PMID:26713872|PMID:26765065|PMID:26923590|PMID:30693765|PMID:35716886|PMID:6159857|PMID:71093|PMID:7820088|PMID:7998987|PMID:8298483|PMID:8968274|Reaxys:6804743 phenio.json N-[2-(1H-imidazol-4-yl)ethyl]-beta-alaninamide|beta-Alanylhistamine|beta-alaninylhistamine|beta-alanyl-histamine http://purl.obolibrary.org/obo/CHEBI_131429 3_STAR
CHEBI:131444 biolink:ChemicalSubstance guanidinoacetate A monocarboxylic acid anion that is the conjugate base of guanidinoacetic acid, obtained by deprotonation of the carboxy group. Chemspider:18748017 phenio.json carbamimidamidoacetate http://purl.obolibrary.org/obo/CHEBI_131444 3_STAR
CHEBI:131487 biolink:ChemicalSubstance 1,2-diacyl-3-(alpha-D-6-sulfoquinovosyl)-sn-glycerol(1-) An organosulfonate oxoanion obtained by deprotonation of the sulfo group of any 1,2-diacyl-3-(6-deoxy-6-sulfo-alpha-D-glucopyranosyl)-sn-glycerol; major species at pH 7.3. MetaCyc:SULFOQUINOVOSYLDIACYLGLYCEROL phenio.json 1,2-di-O-acyl-3-O-(6-deoxy-6-sulfo-alpha-D-glucopyranosyl)-sn-glycerol(1-)|1,2-diacyl-3-(6-deoxy-6-sulfo-alpha-D-glucopyranosyl)-sn-glycerol(1-)|SQDG|a 6-sulfo-alpha-D-quinovosyldiacylglycerol|sulfoquinovosyldiacylglycerol http://purl.obolibrary.org/obo/CHEBI_131487 3_STAR
CHEBI:131492 biolink:ChemicalSubstance Wnt signalling activator A substance that activates any of the Wnt signalling pathway, a group of signal transduction pathways made of proteins that pass signals from outside of a cell through cell surface receptors to the inside of the cell. Wikipedia:Wnt_signaling_pathway phenio.json Wnt signaling activator|Wnt signaling activators|Wnt signalling activators http://purl.obolibrary.org/obo/CHEBI_131492 3_STAR
CHEBI:131496 biolink:ChemicalSubstance BW 245C A racemate comprising equimolar amounts of (3R,4S)- and (3S,4R)-BW 245C. A hydantoin-based prostglandin analogue. PMID:25218962|PMID:6302737|PMID:6344895|PMID:6727564|PMID:7473146|PMID:7498323|Reaxys:4846687 phenio.json (+-)-BW 245C|rac-7-{(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl}heptanoic acid|rac-BW 245C http://purl.obolibrary.org/obo/CHEBI_131496 3_STAR
CHEBI:131500 biolink:ChemicalSubstance (3R,4S)-BW 245C A 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid that is the (3R,4S)-enantiomer of BW 245C. CAS:72880-75-2|Reaxys:964619 phenio.json (R-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid|7-{(4S)-3-[(3R)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl}heptanoic acid http://purl.obolibrary.org/obo/CHEBI_131500 3_STAR
CHEBI:131501 biolink:ChemicalSubstance (3S,4R)-BW 245C A 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid that is the (3S,4R)-enantiomer of BW 245C. CAS:78420-16-3|Reaxys:5304906 phenio.json (S-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid|7-{(4R)-3-[(3S)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl}heptanoic acid http://purl.obolibrary.org/obo/CHEBI_131501 3_STAR
CHEBI:131502 biolink:ChemicalSubstance 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid A imidazolidine-2,4-dione that is 7-(2,5-dioxoimidazolidin-4-yl)heptanoic acid in which the imidazoline ring as substituted at position 3 by a 3-(3-cyclohexyl-3-hydroxypropyl) group. CAS:75693-75-3|Reaxys:964618 phenio.json 3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid|7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid http://purl.obolibrary.org/obo/CHEBI_131502 3_STAR
CHEBI:131509 biolink:ChemicalSubstance EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitor An EC 1.14.99.* (miscellaneous oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen) inhibitor that interferes with the action of lysine-specific histone demethylase 1A (EC 1.14.99.66). Wikipedia:KDM1A phenio.json AOF2 inhibitor|AOF2 inhibitors|BHC110 inhibitor|BHC110 inhibitors|CPRF inhibitor|CPRF inhibitors|EC 1.14.99.66 (lysine-specific histone demethylase 1A) inhibitors|EC 1.14.99.66 inhibitor|EC 1.14.99.66 inhibitors|KDM1A inhibitor|KDM1A inhibitors|KIAA0601 inhibitor|KIAA0601 inhibitors|LSD1 inhibitor|LSD1 inhibitors|[histone H3]-dimethyl-L-lysine(4)FAD-dependent demethylase 1A inhibitor|[histone H3]-dimethyl-L-lysine(4)FAD-dependent demethylase 1A inhibitors|amine oxidase (flavin containing) domain 2 inhibitor|amine oxidase (flavin containing) domain 2 inhibitors|lysine (K)-specific demethylase 1A inhibitor|lysine (K)-specific demethylase 1A inhibitors|lysine demethylase 1A inhibitor|lysine demethylase 1A inhibitors|lysine-specific demethylase 1A inhibitor|lysine-specific demethylase 1A inhibitors|lysine-specific histone demethylase 1A inhibitor|lysine-specific histone demethylase 1A inhibitors http://purl.obolibrary.org/obo/CHEBI_131509 3_STAR
CHEBI:131510 biolink:ChemicalSubstance (1R,2S)-tranylcypromine A 2-phenylcyclopropan-1-amine that is the (1R,2S)-enantiomer of tranylcypromine. CAS:3721-28-6|LINCS:LSM-5578|MetaCyc:CPD-17678|PMID:27882656|PMID:29542357|Reaxys:2206146 phenio.json (+)-(R)-Tranylcypromine|(+)-Tranylcypromine|(1R,2S)-2-phenyl-1-cyclopropanamine|(1R,2S)-2-phenylcyclopropan-1-amine|(1R,2S)-trans-tranylcypromine|d-Tranylcypromine|trans-2-Phenylcyclopropylamine|trans-2-phenylcyclopropan-1-amine http://purl.obolibrary.org/obo/CHEBI_131510 3_STAR
CHEBI:131511 biolink:ChemicalSubstance (1S,2R)-tranylcypromine A 2-phenylcyclopropan-1-amine that is the (1S,2R)-enantiomer of tranylcypromine. CAS:3721-26-4|LINCS:LSM-5943|MetaCyc:CPD-17679 phenio.json (-)-Tranylcypromine|(1S,2R)-2-phenyl-1-cyclopropanamine|(1S,2R)-2-phenylcyclopropan-1-amine|(1S,2R)-trans-tranylcypromine|l-Tranylcypromine|trans-(-)-2-Phenylcyclopropanamine|trans-2-phenylcyclopropan-1-amine http://purl.obolibrary.org/obo/CHEBI_131511 3_STAR
CHEBI:131512 biolink:ChemicalSubstance 2-phenylcyclopropan-1-amine A member of the class of cyclopropanes carrying amino and phenyl substituents at positions 1 and 2 respectively. phenio.json 2-phenylcyclopropan-1-amine http://purl.obolibrary.org/obo/CHEBI_131512 3_STAR
CHEBI:131517 biolink:ChemicalSubstance (1R,2S)-tranylcypromine(1+) A primary ammonium ion obtained by protonation of the primary amino function of (1R,2S)-tranylcypromine. phenio.json (1R,2S)-2-phenylcyclopropan-1-aminium http://purl.obolibrary.org/obo/CHEBI_131517 3_STAR
CHEBI:131520 biolink:ChemicalSubstance (1S,2R)-tranylcypromine(1+) A primary ammonium ion obtained by protonation of the primary amino function of (1S,2R)-tranylcypromine. PDBeChem:TPA|PMID:7634078 phenio.json (1S,2R)-2-phenylcyclopropan-1-aminium http://purl.obolibrary.org/obo/CHEBI_131520 3_STAR
CHEBI:131530 biolink:ChemicalSubstance pyridoxal(1+) A pyridinium ion obtained by protonation of the ring nitrogen of pyridoxal. phenio.json 4-formyl-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium|pyridoxal cation http://purl.obolibrary.org/obo/CHEBI_131530 3_STAR
CHEBI:131533 biolink:ChemicalSubstance pyridoxamine(2+) A pyridinium ion obtained by protonation of both nitrogens of pyridoxamine. phenio.json 4-(azaniumylmethyl)-3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-1-ium|pyridoxamine cation|pyridoxamine dication http://purl.obolibrary.org/obo/CHEBI_131533 3_STAR
CHEBI:131561 biolink:ChemicalSubstance hyaluronic acid synthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of hyaluronic acid. phenio.json HA inhibitor|HA inhibitors|HA synthesis inhibitor|HA synthesis inhibitors|hyaluronic acid inhibitor|hyaluronic acid inhibitors|hyaluronic acid synthesis inhibitors http://purl.obolibrary.org/obo/CHEBI_131561 3_STAR
CHEBI:131565 biolink:ChemicalSubstance steroid aldehyde Any steroid substituted by a formyl group. phenio.json steroid aldehydes http://purl.obolibrary.org/obo/CHEBI_131565 3_STAR
CHEBI:131579 biolink:ChemicalSubstance pApA A 5'-phospho-(3'->5')-dinucleotide composed from two AMP residues. Reaxys:955294 phenio.json 5'-O-phosphonoadenylyl-(3'->5')-adenosine|Ap-Ap http://purl.obolibrary.org/obo/CHEBI_131579 3_STAR
CHEBI:131603 biolink:ChemicalSubstance sucrose 6(G)-phosphate A disaccharide phosphate that is sucrose carrying a single monophosphate substituent at position 6 on the glucose ring. CAS:22372-29-8|KEGG:C16688|KNApSAcK:C00007452|MetaCyc:CPD-15716|PMID:25577257|PMID:26826371|Reaxys:8136715 phenio.json 6-O-Phosphonosucrose|6-Phosphosucrose|Sucrose 6-phosphate|Sucrose-6-phosphate|alpha-D-glucopyranosyl-(1<->2)-beta-D-fructofuranoside 6-phosphate|beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside|beta-D-fructofuranosyl-(1<->2)-alpha-D-glucopyranoside 6-phosphate http://purl.obolibrary.org/obo/CHEBI_131603 3_STAR
CHEBI:131604 biolink:ChemicalSubstance Mycoplasma genitalium metabolite Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium. phenio.json Mycoplasma genitalium metabolites http://purl.obolibrary.org/obo/CHEBI_131604 3_STAR
CHEBI:131605 biolink:ChemicalSubstance dicarboxylic acid monoester(1-) A carboxylic acid anion resulting from the deprotonation of the carboxy group of a dicarboxylic acid monoester. phenio.json http://purl.obolibrary.org/obo/CHEBI_131605 3_STAR
CHEBI:131609 biolink:ChemicalSubstance pneumocandin B0 An echinocandin initially isolated as a very minor bioactive fermentation product of Glarea lozoyensis (originally known as Zalerion arboricola). Subsequent random mutagenesis work and optimisation of the fermentation medium permitted the industrial production of pneumocandin B0, which is used as the starting point for the synthesis of the antifungal drug caspofungin. CAS:135575-42-7|PMID:24086376|PMID:24270605|PMID:25527531|Reaxys:9316734|Wikipedia:Pneumocandin_Bo phenio.json (10R,12S)-N-{(2R,6S,9S,11R,12R,14aS,15S,20S,23S,25aS)-20-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-[(1R)-1-hydroxyethyl]-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-10,12-dimethyltetradecanamide|L 688,786|L-688,786|L-688786|pneumocandin B(0)|pneumocardin B(0) http://purl.obolibrary.org/obo/CHEBI_131609 3_STAR
CHEBI:131610 biolink:ChemicalSubstance O-(beta-L-arabinofuranosyl)-trans-4-hydroxy-L-proline residue An L-alpha-amino acid residue derived from O-(beta-L-arabinofuranosyl)-trans-4-hydroxy-L-proline. MetaCyc:Proteins-hydroxyproline-arabinofuranoses|PMID:24036508 phenio.json O-(beta-L-arabinofuranosyl)-trans-4-hydroxy-L-proline residue http://purl.obolibrary.org/obo/CHEBI_131610 3_STAR
CHEBI:131617 biolink:ChemicalSubstance 18-oxoresolvin E1 A nonclassic icosanoid that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid carrying two hydroxy groups at positions 5 and 12 as well as an oxo group at position 18. LIPID_MAPS_instance:LMFA03070044|PMID:16757471|PMID:18292578 phenio.json (5S,6Z,8E,10E,12R,14Z,16E)-5,12-dihydroxy-18-oxoicosa-6,8,10,14,16-pentaenoic acid|18-oxo-5S,12R-dihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid|18-oxo-Resolvin E1|18-oxo-RvE1 http://purl.obolibrary.org/obo/CHEBI_131617 3_STAR
CHEBI:131619 biolink:ChemicalSubstance C27-steroid A steroid compound with a structure based on a 27-carbon (cholestane) skeleton. phenio.json C27-steroids http://purl.obolibrary.org/obo/CHEBI_131619 3_STAR
CHEBI:131620 biolink:ChemicalSubstance C24-steroid A steroid compound with a structure based on a 24-carbon (cholane) skeleton. phenio.json C24-steroids http://purl.obolibrary.org/obo/CHEBI_131620 3_STAR
CHEBI:131621 biolink:ChemicalSubstance C19-steroid A steroid compound with a structure based on a 19-carbon (androstane) skeleton. phenio.json C19-steroids http://purl.obolibrary.org/obo/CHEBI_131621 3_STAR
CHEBI:131622 biolink:ChemicalSubstance steroidal acyl-CoA(4-) An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any steroidal acyl-CoA; major species at pH 7.3. phenio.json steroidal acyl-coenzyme A(4-)|steryl-CoA|steryl-coenzyme A(4-) http://purl.obolibrary.org/obo/CHEBI_131622 3_STAR
CHEBI:131632 biolink:ChemicalSubstance lanostane derivative Any steroid (or derivative) based on a lanostane skeleton. phenio.json lanostane derivatives http://purl.obolibrary.org/obo/CHEBI_131632 3_STAR
CHEBI:131634 biolink:ChemicalSubstance pregnane derivative Any steroid (or derivative) based on a pregnane skeleton. phenio.json pregnane derivatives http://purl.obolibrary.org/obo/CHEBI_131634 3_STAR
CHEBI:131635 biolink:ChemicalSubstance estrane derivative Any steroid (or derivative) based on an estrane skeleton. phenio.json estrane derivatives http://purl.obolibrary.org/obo/CHEBI_131635 3_STAR
CHEBI:131637 biolink:ChemicalSubstance lanostane sterol Any sterol based on a lanostane skeleton and its derivatives. phenio.json lanostane sterols http://purl.obolibrary.org/obo/CHEBI_131637 3_STAR
CHEBI:131652 biolink:ChemicalSubstance cholestanoyl-CoA(4-) A steroidal acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any cholestanoyl-CoA; major species at pH 7.3. phenio.json cholesteryl-CoA(4-) http://purl.obolibrary.org/obo/CHEBI_131652 3_STAR
CHEBI:131657 biolink:ChemicalSubstance cholane derivative Any steroid (or derivative) based on a cholane skeleton. phenio.json cholane derivatives http://purl.obolibrary.org/obo/CHEBI_131657 3_STAR
CHEBI:13166 biolink:ChemicalSubstance Sec-tRNA(Sec) KEGG:C06482 phenio.json Sec-tRNA(Sec) http://purl.obolibrary.org/obo/CHEBI_13166 3_STAR
CHEBI:131667 biolink:ChemicalSubstance 8,11,14-icosatrien-5-ynoic acid A trienoic fatty acid, that is icosanoic acid containing double bonds at positions 8, 11 and 14 and a triple bond at position 5. Chemspider:1712 phenio.json 8,11,14-eicosatrien-5-ynoic acid|eicosa-8,11,14-trien-5-ynoic acid|icosa-8,11,14-trien-5-ynoic acid http://purl.obolibrary.org/obo/CHEBI_131667 3_STAR
CHEBI:131686 biolink:ChemicalSubstance CFTRinh-172 A thiazolidinone that is 2-thioxo-4-thiazolidinone which is substituted at position 3 by a (m--trifluoromethyl)phenyl group and at position 5 by a p-carboxybenzylidene group. It is an inhibitor of cystic fibrosis transmembrane conductance regulator, a membrane protein and chloride channel in vertebrates that is encoded by the CFTR gene. CAS:307510-92-5|PMID:15131065|PMID:18366345|PMID:20051483|PMID:21940661|PMID:21998142|PMID:24758416|Reaxys:9949257 phenio.json (inh)-172|3-[(3-trifluoromethyl)phenyl]-5-[(3-carboxyphenyl)methylene]-2-thioxo-4-thiazolidinone|4-({4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl)benzoic acid|5-[(4-carboxyphenyl)methylene]-2-thioxo-3-[(3-trifluoromethyl)phenyl]-4-thiazolidinone|C2992_SIGMA|CFTR(inh)-172|Cystic fibrosis transmembrane conductance regulator inhibitor CFTR(inh)-172|cystic fibrosis transmembrane regulator inhibitor 172 http://purl.obolibrary.org/obo/CHEBI_131686 3_STAR
CHEBI:131696 biolink:ChemicalSubstance cholestane ester Any steroid ester based on a cholestane skeleton. phenio.json cholestane esters http://purl.obolibrary.org/obo/CHEBI_131696 3_STAR
CHEBI:131697 biolink:ChemicalSubstance pyrimidotriazine Any organic heterobicyclic compound containing ortho-fused pyrimidine and triazine rings. phenio.json pyrimidotriazines http://purl.obolibrary.org/obo/CHEBI_131697 3_STAR
CHEBI:131699 biolink:ChemicalSubstance EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitor A DNA polymerase inhibitor that interferes with the action of a DNA-directed DNA polymerase (EC 2.7.7.7). Wikipedia:DNA_polymerase phenio.json DNA duplicase inhibitor|DNA duplicase inhibitors|DNA nucleotidyltransferase (DNA-directed) inhibitor|DNA nucleotidyltransferase (DNA-directed) inhibitors|DNA nucleotidyltransferase inhibitor|DNA nucleotidyltransferase inhibitors|DNA polymerase I inhibitor|DNA polymerase I inhibitors|DNA polymerase II inhibitor|DNA polymerase II inhibitors|DNA polymerase III inhibitor|DNA polymerase III inhibitors|DNA polymerase alpha inhibitor|DNA polymerase alpha inhibitors|DNA polymerase beta inhibitor|DNA polymerase beta inhibitors|DNA polymerase gamma inhibitor|DNA polymerase gamma inhibitors|DNA polymerase inhibitor|DNA polymerase inhibitors|DNA replicase inhibitor|DNA replicase inhibitors|DNA-dependent DNA polymerase inhibitor|DNA-dependent DNA polymerase inhibitors|DNA-directed DNA polymerase (EC 2.7.7.7) inhibitor|DNA-directed DNA polymerase (EC 2.7.7.7) inhibitors|EC 2.7.7.7 (DNA-directed DNA polymerase) inhibitors|EC 2.7.7.7 inhibitor|EC 2.7.7.7 inhibitors|Klenow fragment inhibitor|Klenow fragment inhibitors|Taq DNA polymerase inhibitor|Taq DNA polymerase inhibitors|Taq Pol I inhibitor|Taq Pol I inhibitors|Tca DNA polymerase inhibitor|Tca DNA polymerase inhibitors|deoxynucleate polymerase inhibitor|deoxynucleate polymerase inhibitors|deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitor|deoxynucleoside-triphosphate:DNA deoxynucleotidyltransferase (DNA-directed) inhibitors|deoxyribonucleate nucleotidyltransferase inhibitor|deoxyribonucleate nucleotidyltransferase inhibitors|deoxyribonucleic acid duplicase inhibitor|deoxyribonucleic acid duplicase inhibitors|deoxyribonucleic acid polymerase inhibitor|deoxyribonucleic acid polymerase inhibitors|deoxyribonucleic duplicase inhibitor|deoxyribonucleic duplicase inhibitors|deoxyribonucleic polymerase I inhibitor|deoxyribonucleic polymerase I inhibitors|deoxyribonucleic polymerase inhibitor|deoxyribonucleic polymerase inhibitors|duplicase inhibitor|duplicase inhibitors|sequenase inhibitor|sequenase inhibitors http://purl.obolibrary.org/obo/CHEBI_131699 3_STAR
CHEBI:13170 biolink:ChemicalSubstance Ser-tRNA(Sec) KEGG:C06481 phenio.json Ser-tRNA(Sec) http://purl.obolibrary.org/obo/CHEBI_13170 3_STAR
CHEBI:131702 biolink:ChemicalSubstance stigmastane derivative Any steroid (or derivative) based on a stigmastane skeleton. phenio.json stigmastane derivatives http://purl.obolibrary.org/obo/CHEBI_131702 3_STAR
CHEBI:131703 biolink:ChemicalSubstance stigmastane sterol Any sterol based on a stigmastane skeleton. phenio.json stigmastane sterols http://purl.obolibrary.org/obo/CHEBI_131703 3_STAR
CHEBI:131705 biolink:ChemicalSubstance 2'-deoxynucleoside 3'-monophosphate(2-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of any 2'-deoxynucleoside 3'-monophosphate; major species at pH 7.3. MetaCyc:Deoxy-Ribonucleoside-3P phenio.json a 2'-deoxyribonucleoside 3'-phosphate http://purl.obolibrary.org/obo/CHEBI_131705 3_STAR
CHEBI:131716 biolink:ChemicalSubstance garenoxacin A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid that is substituted by a cyclopropyl group at position 1, an oxo group at position 4, a (1R)-1-methyl-2,3-dihydro-1H-isoindol-5-yl group at position 7, and a difluoromethoxy group at position 8. CAS:194804-75-6|Drug_Central:4053|PMID:11711258|PMID:11892932|PMID:12572531|PMID:21762685|PMID:21796376|PMID:22088660|PMID:25327090|PMID:25989991|PMID:26097813|PMID:26349115|PMID:26597933|Reaxys:8878492|Wikipedia:Garenoxacin phenio.json BMS 284756|BMS-284756|BMS284756|T 3811|T-3811|garenoxacin|garenoxacine|garenoxacino|garenoxacinum http://purl.obolibrary.org/obo/CHEBI_131716 3_STAR
CHEBI:13172 biolink:ChemicalSubstance keto-L-sorbose Beilstein:1724554|Beilstein:3588863 phenio.json (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one|keto-L-sorbose http://purl.obolibrary.org/obo/CHEBI_13172 3_STAR
CHEBI:131727 biolink:ChemicalSubstance hydroxylipid Any lipid carrying one or more hydroxy substituents. MetaCyc:Lipid-hydroxy-fatty-acids phenio.json a hydroxy-fatty acid|hydroxy lipid|hydroxy lipids|hydroxylipids http://purl.obolibrary.org/obo/CHEBI_131727 3_STAR
CHEBI:131728 biolink:ChemicalSubstance [Glu(-Cys)]n-Gly(1-) An ionic polymer derived from [Glu(-Cys)]n-Gly. MetaCyc:Poly-Gamma-Glutamylcysteine-Glycines phenio.json [Glu(-Cys)]n-Gly http://purl.obolibrary.org/obo/CHEBI_131728 3_STAR
CHEBI:13173 biolink:ChemicalSubstance L-tagatose 6-phosphate phenio.json 6-O-phosphono-L-lyxo-hex-2-ulose|6-O-phosphono-L-tagatose|L-lyxo-hex-2-ulose 6-(dihydrogen phosphate)|L-tagatose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_13173 3_STAR
CHEBI:131738 biolink:ChemicalSubstance 2-tetradecanoyl-sn-glycero-3-phosphocholine A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as tertadecanoyl (myristoyl). LIPID_MAPS_instance:LMGP01050073|PMID:21510612|PMID:26860358|Reaxys:9670780 phenio.json (2R)-3-hydroxy-2-(tetradecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate|2-myristoyl-sn-glycero-3-phosphocholine|2-tetradecanoyl-sn-glycero-3-phosphocholine|PC(0:0/14:0) http://purl.obolibrary.org/obo/CHEBI_131738 3_STAR
CHEBI:131766 biolink:ChemicalSubstance (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate(4-) An organophosphate oxoanion obtained by deprotonation of the triphosphate OH groups of (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate; major species at pH 7.3. MetaCyc:CPD-19179|PMID:25941396 phenio.json (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate http://purl.obolibrary.org/obo/CHEBI_131766 3_STAR
CHEBI:131767 biolink:ChemicalSubstance D-erythrulose 1-phosphate(2-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-erythrulose 1-phosphate; major species at pH 7.3. MetaCyc:CPD-19135|PMID:25453104 phenio.json (3R)-3,4-dihydroxy-2-oxobutyl phosphate|D-erythrulose 1-phosphate http://purl.obolibrary.org/obo/CHEBI_131767 3_STAR
CHEBI:131770 biolink:ChemicalSubstance EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitor A EC 3.6.3.* (acid anhydride hydrolase catalysing transmembrane movement of substances) inhibitor that interferes with the action of channel-conductance-controlling ATPase (EC 3.6.3.49, also known as cystic fibrosis conductance regulator, CFCR). Wikipedia:Cystic_fibrosis_transmembrane_conductance_regulator phenio.json ATP phosphohydrolase (channel-conductance-controlling) inhibitor|ATP phosphohydrolase (channel-conductance-controlling) inhibitors|CFTR inhibitor|CFTR inhibitors|EC 3.6.3.49 (channel-conductance-controlling ATPase) inhibitors|EC 3.6.3.49 inhibitor|EC 3.6.3.49 inhibitors|channel-conductance-controlling ATPase (EC 3.6.3.49) inhibitor|channel-conductance-controlling ATPase (EC 3.6.3.49) inhibitors|channel-conductance-controlling ATPase inhibitor|channel-conductance-controlling ATPase inhibitors|cystic fibrosis conductance regulator inhibitor|cystic fibrosis conductance regulator inhibitors|cystic fibrosis transmembrane conductance regulator inhibitor|cystic fibrosis transmembrane conductance regulator inhibitors|cystic-fibrosis membrane-conductance-regulating protein inhibitor|cystic-fibrosis membrane-conductance-regulating protein inhibitors http://purl.obolibrary.org/obo/CHEBI_131770 3_STAR
CHEBI:131780 biolink:ChemicalSubstance 2-hydroxyisobutanoyl-CoA(4-) An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 2-hydroxyisobutanoyl-CoA; major species at pH 7.3 MetaCyc:CPD-19040|PMID:22433853 phenio.json 2-hydroxyisobutanoyl-CoA|2-hydroxyisobutanoyl-coenzyme A(4-)|2-hydroxyisobutyryl-CoA(4-)|2-hydroxyisobutyryl-coenzyme A(4-) http://purl.obolibrary.org/obo/CHEBI_131780 3_STAR
CHEBI:131784 biolink:ChemicalSubstance xestospongin C An organic heteropentacyclic compound that is isolated from the marine sponge Xestospongia exigua. CAS:88903-69-9|PMID:10821794|PMID:25580621|PMID:26912139|PMID:27031052|PMID:27038234|PMID:27062708|Reaxys:7626600|Reaxys:9307275 phenio.json (4aR,11R,12aS,16aS,23R,24aS)-icosahydro-2H,5H,12aH,14H-1,23:11,13-diethano[1,11]dioxacycloicosino[10,9-b:20,19-b']dipyridine|Araguspongin E|Araguspongine E http://purl.obolibrary.org/obo/CHEBI_131784 3_STAR
CHEBI:131787 biolink:ChemicalSubstance dopamine receptor D2 antagonist An antagonist that binds to and deactivates the dopamine receptor D2, the main receptor for all antipsychotic drugs. PMID:23323533|Wikipedia:Dopamine_receptor_D2 phenio.json D2 receptor antagonist|D2R antagonist http://purl.obolibrary.org/obo/CHEBI_131787 3_STAR
CHEBI:131793 biolink:ChemicalSubstance SKF 38393 A racemate comprising equimolar amounts of (R)- and (S)-SKF 38393 CAS:67287-49-4|LINCS:LSM-21649|PMID:21901319|PMID:22387069|PMID:22573387|PMID:22702101|PMID:23074829|PMID:23499830|PMID:23531471|PMID:23700659|PMID:24140426|PMID:24261116|PMID:24768642|PMID:2566489|PMID:2577061|PMID:26319554|PMID:26639424|PMID:26658514|PMID:26772761|PMID:26801827|PMID:26975318|PMID:27041647|Reaxys:1543419|Wikipedia:SKF-38,393 phenio.json (+-)-SKF 38393|(RS)-SKF 38393|2,3,4,5-Tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol|2,3,4,5-Tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine|SK&F 38393|SK&F-38393|SKF 38,393|SKF-38,393|SKF-38393|rac-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol http://purl.obolibrary.org/obo/CHEBI_131793 3_STAR
CHEBI:131794 biolink:ChemicalSubstance EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitor Any EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of a Ca(2+)/calmodulin-dependent protein kinase (EC 2.7.11.17). Wikipedia:CAMK phenio.json ATP:caldesmon O-phosphotransferase inhibitor|ATP:caldesmon O-phosphotransferase inhibitors|ATP:protein phosphotransferase ((2+)/calmodulin-dependent) inhibitor|ATP:protein phosphotransferase ((2+)/calmodulin-dependent) inhibitors|CAM PKII inhibitor|CAM PKII inhibitors|Ca(2+)/calmodulin-dependent microtubule-associated protein 2 kinase inhibitor|Ca(2+)/calmodulin-dependent microtubule-associated protein 2 kinase inhibitors|Ca(2+)/calmodulin-dependent protein kinase (EC 2.7.11.17) inhibitor|Ca(2+)/calmodulin-dependent protein kinase (EC 2.7.11.17) inhibitors|Ca(2+)/calmodulin-dependent protein kinase 1 inhibitor|Ca(2+)/calmodulin-dependent protein kinase 1 inhibitors|Ca(2+)/calmodulin-dependent protein kinase II inhibitor|Ca(2+)/calmodulin-dependent protein kinase II inhibitors|Ca(2+)/calmodulin-dependent protein kinase IV inhibitor|Ca(2+)/calmodulin-dependent protein kinase IV inhibitors|Ca(2+)/calmodulin-dependent protein kinase inhibitor|Ca(2+)/calmodulin-dependent protein kinase inhibitors|Ca(2+)/calmodulin-dependent protein kinase kinase beta inhibitor|Ca(2+)/calmodulin-dependent protein kinase kinase beta inhibitors|Ca(2+)/calmodulin-dependent protein kinase kinase inhibitor|Ca(2+)/calmodulin-dependent protein kinase kinase inhibitors|CaM kinase II inhibitor|CaM kinase II inhibitors|CaM kinase inhibitor|CaM kinase inhibitors|CaM-regulated serine/threonine kinase inhibitor|CaM-regulated serine/threonine kinase inhibitors|CaMKI inhibitor|CaMKI inhibitors|CaMKII inhibitor|CaMKII inhibitors|CaMKIV inhibitor|CaMKIV inhibitors|CaMKKalpha inhibitor|CaMKKalpha inhibitors|CaMKKbeta inhibitor|CaMKKbeta inhibitors|EC 2.7.11.17 (Ca(2+)/calmodulin-dependent protein kinase) inhibitors|EC 2.7.11.17 inhibitor|EC 2.7.11.17 inhibitors|STK20 inhibitor|STK20 inhibitors|caldesmon kinase (phosphorylating) inhibitor|caldesmon kinase (phosphorylating) inhibitors|caldesmon kinase inhibitor|caldesmon kinase inhibitors|calmodulin-dependent kinase II inhibitor|calmodulin-dependent kinase II inhibitors|microtubule-associated protein 2 kinase inhibitor|microtubule-associated protein 2 kinase inhibitors http://purl.obolibrary.org/obo/CHEBI_131794 3_STAR
CHEBI:131795 biolink:ChemicalSubstance dopamine receptor D1 agonist A dopamine agonist that binds to and activates the dopamine receptor D1. Wikipedia:Dopamine_receptor_D1 phenio.json D1 agonist|D1 agonists|dopamine D1 receptor agonist|dopamine D1 receptor agonists|dopamine receptor D1 agonists http://purl.obolibrary.org/obo/CHEBI_131795 3_STAR
CHEBI:131796 biolink:ChemicalSubstance (S)-SKF 38393 A 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol that is the S-enantiomer of SKF 38393. CAS:81702-43-4|PMID:24171673|Reaxys:5287503 phenio.json (1S)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol|(1S)-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol|(S)-SKF-38393 http://purl.obolibrary.org/obo/CHEBI_131796 3_STAR
CHEBI:131800 biolink:ChemicalSubstance (R)-SKF 38393 A 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol that is the R-enantiomer of SKF 38393. CAS:62751-59-1|LINCS:LSM-37178|PMID:12644268|PMID:7714795|Reaxys:3619270 phenio.json (1R)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol|(1R)-2,3,4,5-tetrahydro-1-phenyl-1H-3-benzazepine-7,8-diol|(R)-SKF-38393|R-(+)-SKF-38393 http://purl.obolibrary.org/obo/CHEBI_131800 3_STAR
CHEBI:131801 biolink:ChemicalSubstance 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8. phenio.json 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol http://purl.obolibrary.org/obo/CHEBI_131801 3_STAR
CHEBI:131803 biolink:ChemicalSubstance L-allysine residue An L-alpha-amino acid residue derived from L-allysine. MetaCyc:CPD-8649 phenio.json (S)-2-amino-6-oxohexanoate residue|(S)-2-amino-6-oxohexanoyl residue http://purl.obolibrary.org/obo/CHEBI_131803 3_STAR
CHEBI:131806 biolink:ChemicalSubstance (R)-SKF 38393(1+) An organic cation obtained by protonation of the secondary amino function of (R)-SKF 38393. phenio.json (1R)-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium http://purl.obolibrary.org/obo/CHEBI_131806 3_STAR
CHEBI:131807 biolink:ChemicalSubstance (S)-SKF 38393(1+) An organic cation obtained by protonation of the secondary amino function of (S)-SKF 38393. phenio.json (1S)-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium http://purl.obolibrary.org/obo/CHEBI_131807 3_STAR
CHEBI:131809 biolink:ChemicalSubstance SMO receptor agonist An agonist that enhances the action of smoothened (SMO) receptor. PMID:12437772|PMID:20439738|Wikipedia:Smoothened phenio.json SMO receptor agonists|smoothened agonist|smoothened agonists|smoothened receptor agonist|smoothened receptor agonists http://purl.obolibrary.org/obo/CHEBI_131809 3_STAR
CHEBI:131822 biolink:ChemicalSubstance sulfamate An organosulfonate oxoanion obtained by deprotonation of the N-sulfo group of any sulfamic acid; major species at pH 7.3. phenio.json a sulfamate http://purl.obolibrary.org/obo/CHEBI_131822 3_STAR
CHEBI:131825 biolink:ChemicalSubstance 8,5'-cyclo-2'-deoxyadenosine An organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5' of 2'-deoxyadenosine. CAS:117182-88-4|PMID:22817898|PMID:23961697|PMID:24471831|PMID:25034731|PMID:25605892|PMID:26344223|Reaxys:8118367 phenio.json (6R,7S,8S,10R)-4-amino-7,8,9,10-tetrahydro-6H-7,10-epoxyazepino[1,2-e]purine-6,8-diol|2'-Deoxy-8,5'-cycloadenosine|8,5'-Cda|cyclo-dA|cyclodA http://purl.obolibrary.org/obo/CHEBI_131825 3_STAR
CHEBI:131843 biolink:ChemicalSubstance meldonium An ammonium betaine that is beta-alaninate in which one of the amino hydrogens is replaced by a trimethylamino group. A clinically used cardioprotective drug that is used for treatment of heart failure, myocardial infarction, arrhythmia, atherosclerosis and diabetes. CAS:76144-81-5|Drug_Central:3995|KEGG:D10504|MetaCyc:CPD-10661|PDBeChem:REE|PMID:23238051|PMID:24124882|PMID:24273007|PMID:24571165|PMID:24729295|PMID:24754070|PMID:24864465|PMID:25001658|PMID:25177785|PMID:25177814|PMID:25177815|PMID:25446926|PMID:25675721|PMID:25702409|PMID:25847280|PMID:25902653|PMID:26697890|PMID:26761970|PMID:26850121|PMID:26961537|PMID:27015859|Reaxys:3938272|Wikipedia:Meldonium phenio.json 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium|3-(2,2,2-Trimethyldiazaniumyl)propanoate|3-(2,2,2-Trimethylhydrazine)propionate|3-(2,2,2-trimethyldiazan-2-ium-1-yl)propanoate|meldonium|mildronate http://purl.obolibrary.org/obo/CHEBI_131843 3_STAR
CHEBI:131844 biolink:ChemicalSubstance EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitor An EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor that interferes with the action of gamma-butyrobetaine dioxygenase (EC 1.14.11.1). Wikipedia:Gamma-butyrobetaine_dioxygenase phenio.json 4-trimethylammoniobutanoate,2-oxoglutarate:oxygen oxidoreductase (3-hydroxylating) inhibitor|4-trimethylammoniobutanoate,2-oxoglutarate:oxygen oxidoreductase (3-hydroxylating) inhibitors|BBOX inhibitor|BBOX inhibitors|EC 1.14.11.1 (gamma-butyrobetaine dioxygenase) inhibitors|EC 1.14.11.1 inhibitor|EC 1.14.11.1 inhibitors|alpha-butyrobetaine hydroxylase inhibitor|alpha-butyrobetaine hydroxylase inhibitors|butyrobetaine hydroxylase inhibitor|butyrobetaine hydroxylase inhibitors|gamma-butyrobetaine hydroxylase inhibitor|gamma-butyrobetaine hydroxylase inhibitors http://purl.obolibrary.org/obo/CHEBI_131844 3_STAR
CHEBI:131848 biolink:ChemicalSubstance fotemustine A racemate comprising equimolar amounts of (R)- and (S)-fotemustine. It is an alkylating agent used in the treatment of malignant melanoma. CAS:92118-27-9|KEGG:D07255|PMID:15020614|PMID:23560594|PMID:24023343|PMID:24800248|PMID:25538176|PMID:25702193|PMID:2627116|PMID:26458240|PMID:26542177|PMID:26750128|PMID:26951379|PMID:27057436|Patent:FR2536075|Patent:US4567169|Reaxys:8626774|Wikipedia:Fotemustine phenio.json (+-)-diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate|Muphoran|Mustoforan|S 10036|Servier-10036|diethyl-1-(3-(2-chloroethyl)-3-nitrosoureido)ethylphosphonate|fotemustina|fotemustine|fotemustinum|rac-fotemustine http://purl.obolibrary.org/obo/CHEBI_131848 3_STAR
CHEBI:131852 biolink:ChemicalSubstance diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate A member of the class of N-nitrosoureas that is ethyl diethylphosphonate in the hydrogen at position 1 of the ethyl group attached to the phosphorus has been replaced by a [(2-chloroethyl)(nitroso)carbamoyl]amino group. phenio.json diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate http://purl.obolibrary.org/obo/CHEBI_131852 3_STAR
CHEBI:131853 biolink:ChemicalSubstance (R)-fotemustine A diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate that has R configuration. phenio.json diethyl [(1R)-1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl]phosphonate http://purl.obolibrary.org/obo/CHEBI_131853 3_STAR
CHEBI:131854 biolink:ChemicalSubstance (S)-fotemustine A diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate that has S configuration. phenio.json diethyl [(1S)-1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl]phosphonate http://purl.obolibrary.org/obo/CHEBI_131854 3_STAR
CHEBI:131858 biolink:ChemicalSubstance HETE anion An icosanoid anion arising from deprotonation of the carboxylic acid function of any hydroxyicosatetraenoic acid. phenio.json HETE anions|hydroxyeicosatetraenoate|hydroxyeicosatetraenoates|hydroxyicosatetraenoate|hydroxyicosatetraenoates http://purl.obolibrary.org/obo/CHEBI_131858 3_STAR
CHEBI:131859 biolink:ChemicalSubstance oxo-ETE anion An icosanoid anion arising from deprotonation of the carboxylic acid function of any oxoicosatetraenoic acid. phenio.json an oxoeicosatetraenoate|oxo-ETE anions|oxoeicosatetraenoate|oxoeicosatetraenoates|oxoicosatetraenoate|oxoicosatetraenoates http://purl.obolibrary.org/obo/CHEBI_131859 3_STAR
CHEBI:131860 biolink:ChemicalSubstance octadecanoid anion An unsaturated fatty acid anion obtained by the deprotonation of the carboxy group of any octadecanoid. phenio.json anionic octadecanoid|anionic octadecanoids|octadecanoid anions http://purl.obolibrary.org/obo/CHEBI_131860 3_STAR
CHEBI:131861 biolink:ChemicalSubstance HODE(1-) An unsaturated fatty acid anion obtained by the deprotonation of the carboxy group of any hydroxyoctadecadienoic acid. phenio.json HODE anion|HODE anions|hydroxyoctadecadienoates http://purl.obolibrary.org/obo/CHEBI_131861 3_STAR
CHEBI:131862 biolink:ChemicalSubstance HPODE(1-) An octadecanoid anion anion obtained by the deprotonation of the carboxy group of any hydroperoxyoctadecadienoic acid. phenio.json HPODE anion|HPODE anions|hydroperoxyoctadecadienoate|hydroperoxyoctadecadienoates http://purl.obolibrary.org/obo/CHEBI_131862 3_STAR
CHEBI:131863 biolink:ChemicalSubstance docosanoid Any oxygenated derivative of C22 polyunsaturated fatty acids, such as docosapentaenoic acid (DPA) and docosahexaenoic acid (DHA). phenio.json docosanoids http://purl.obolibrary.org/obo/CHEBI_131863 3_STAR
CHEBI:131864 biolink:ChemicalSubstance docosanoid anion A polyunsaturated fatty acid anion obtained by the deprotonation of the carboxy group of any docosanoid. phenio.json docosanoid anions http://purl.obolibrary.org/obo/CHEBI_131864 3_STAR
CHEBI:131865 biolink:ChemicalSubstance EET(1-) An icosanoid anion obtained by the deprotonation of the carboxy group of any epoxyicosatrienoic acid. phenio.json EET anion|EET anions|epoxyeicosatrienoate|epoxyeicosatrienoates|epoxyicosatrienoate|epoxyicosatrienoates http://purl.obolibrary.org/obo/CHEBI_131865 3_STAR
CHEBI:131867 biolink:ChemicalSubstance hydroxydocosahexaenoate A hydroxy polyunsaturated fatty acid anion obtained by the deprotonation of the carboxy group of any hydroxydocosahexaenoic acid. phenio.json HDoHE anion|HDoHE anions|HDoHE(1-)|hydroxy-DHA anion|hydroxy-DHA anions|hydroxydocosahexaenoates http://purl.obolibrary.org/obo/CHEBI_131867 3_STAR
CHEBI:131868 biolink:ChemicalSubstance hydroperoxydocosahexaenoate A docosanoid anion arising from deprotonation of the carboxylic acid function of any hydroperoxydocosahexaenoic acid. phenio.json HPDHE anion|HPDHE anions|HPDHE(1-)|hydroperoxydocosahexaenoates http://purl.obolibrary.org/obo/CHEBI_131868 3_STAR
CHEBI:131869 biolink:ChemicalSubstance hydroxy monounsaturated fatty acid Any monounsaturated fatty acid carrying one or more hydroxy substituents. phenio.json hydroxy MUFA|hydroxy monounsaturated fatty acids http://purl.obolibrary.org/obo/CHEBI_131869 3_STAR
CHEBI:131870 biolink:ChemicalSubstance hydroxy monounsaturated fatty acid anion Any monounsaturated fatty acid anion carrying one or more hydroxy substituents. phenio.json hydroxy MUFA anion|hydroxy MUFA anions|hydroxy monounsaturated fatty acid anions http://purl.obolibrary.org/obo/CHEBI_131870 3_STAR
CHEBI:131871 biolink:ChemicalSubstance hydroxy polyunsaturated fatty acid anion Any polyunsaturated fatty acid anion carrying one or more hydroxy substituents. phenio.json a hydroxy polyunsaturated fatty acid|hydroxy PUFA|hydroxy polyunsaturated fatty acid anions http://purl.obolibrary.org/obo/CHEBI_131871 3_STAR
CHEBI:131872 biolink:ChemicalSubstance hydroxy saturated fatty acid anion Any saturated fatty acid anion carrying one or more hydroxy substituents. phenio.json hydroxy SFA|hydroxy saturated fatty acid anions http://purl.obolibrary.org/obo/CHEBI_131872 3_STAR
CHEBI:131873 biolink:ChemicalSubstance EpETE(1-) An unsaturated fatty acid anion arising from deprotonation of the carboxylic acid function of any epoxyicosatetraenoic acid. phenio.json EpETE anion|EpETE anions|epoxyeicosatetraenoate|epoxyeicosatetraenoates|epoxyicosatetraenoate|epoxyicosatetraenoates http://purl.obolibrary.org/obo/CHEBI_131873 3_STAR
CHEBI:131874 biolink:ChemicalSubstance HEPE(1-) An unsaturated fatty acid anion arising from deprotonation of the carboxylic acid function of any hydroxyicosapentaenoic acid (HEPE). phenio.json HEPE anion|HEPE anions|hydroxyeicosapentaenoate|hydroxyeicosapentaenoates|hydroxyicosapentaenoate|hydroxyicosapentaenoates http://purl.obolibrary.org/obo/CHEBI_131874 3_STAR
CHEBI:131876 biolink:ChemicalSubstance hydroperoxyicosapentaenoate An icosanoid anion arising from deprotonation of the carboxylic acid function of any hydroperoxyicosapentaenoic acid. phenio.json HpEPE anion|HpEPE anions|HpEPE(1-)|hydroperoxyeicosapentaenoate|hydroperoxyeicosapentaenoates|hydroperoxyicosapentaenoates http://purl.obolibrary.org/obo/CHEBI_131876 3_STAR
CHEBI:131878 biolink:ChemicalSubstance cholanic acid anion Any steroid acid anion based on a cholanic acid skeleton. PMID:1527482 phenio.json cholanic acid anions|cholanoic acid anion|cholanoic acid anions http://purl.obolibrary.org/obo/CHEBI_131878 3_STAR
CHEBI:131879 biolink:ChemicalSubstance cholanic acid conjugate anion An organic anion obtained by deprotonation of any cholanic acid conjugate. phenio.json cholanic acid conjugate anions|cholanoic acid conjugate anion|cholanoic acid conjugate anions http://purl.obolibrary.org/obo/CHEBI_131879 3_STAR
CHEBI:131880 biolink:ChemicalSubstance N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine A ketoxime that is the oxime of indan-1-one in which the hydrogen at position 5 has been replaced by an imidazol-5-yl group which has itself been substituted at positions 2 and 4 by p-[2-(dimethylamino)ethoxy]phenyl and pyridin-4-yl groups, respectively. phenio.json N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine http://purl.obolibrary.org/obo/CHEBI_131880 3_STAR
CHEBI:131881 biolink:ChemicalSubstance (E)-SB-590885 An N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine in which the oxime group has E configuration. Reaxys:15567360 phenio.json (1E)-N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine|(E)-SB 590885|(E)-SB590885 http://purl.obolibrary.org/obo/CHEBI_131881 3_STAR
CHEBI:131882 biolink:ChemicalSubstance SB-590885 A mixture of (E)- and (Z)-SB-590885. CAS:405554-55-4|PMID:16260133|PMID:17145850|PMID:24821574|PMID:26081844|Reaxys:18849081 phenio.json SB 590885|SB590885 http://purl.obolibrary.org/obo/CHEBI_131882 3_STAR
CHEBI:131906 biolink:ChemicalSubstance 4-pyranones A pyranone based on the structure of 4H-pyran-4-one and its substituted derivatives. phenio.json pyran-4-ones http://purl.obolibrary.org/obo/CHEBI_131906 3_STAR
CHEBI:131907 biolink:ChemicalSubstance 3-pyrones A pyranone based on the structure of 2H-pyran-3(4H)-one or 2H-pyran-3(6H)-one, and their substituted derivatives. phenio.json pyran-3-ones http://purl.obolibrary.org/obo/CHEBI_131907 3_STAR
CHEBI:131914 biolink:ChemicalSubstance violacein A member of the class of hydroxyindoles resulting from the formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-one, which is substituted at the 5 position by a 5-hydroxy-1H-indol-3-yl group, where the newly-formed double bond has E configuration. It is a purple chromobacterial pigment that has antibacterial, antifungal, antiprotozoan, and anticancer properties. CAS:548-54-9|KEGG:C21136|MetaCyc:VIOLACEIN|PMID:21779844|PMID:25592762|PMID:25652759|PMID:26339614|PMID:26428920|PMID:26521020|PMID:26916415|Reaxys:49923 phenio.json (3E)-3-[5-(5-hydroxy-1H-indol-3-yl)-2-oxo-1,2-dihydro-3H-pyrrol-3-ylidene]-1,3-dihydro-2H-indol-2-one|violacein http://purl.obolibrary.org/obo/CHEBI_131914 3_STAR
CHEBI:131916 biolink:ChemicalSubstance proviolacein A hydroxyindole that is 2H-pyrrol-2-one which is substituted at positions 3 and 5 by 1H-indol-3-yl and 5-hydroxy-1H-indol-3-yl groups, respectively. It is an intermediate in the biosynthesis of the purple chromobacterial pigment violacein from L-tryptophan. MetaCyc:CPD-14321|PMID:17176066|PMID:21779844|PMID:25664787|Reaxys:7340743 phenio.json 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-2H-pyrrol-2-one|proviolacein http://purl.obolibrary.org/obo/CHEBI_131916 3_STAR
CHEBI:131923 biolink:ChemicalSubstance salubrinal A member of the class of quinolines that is a mixed aminal resulting from the formal condensation oftrichloroacetaldehyde with the amide nitrogen of trans-cinnamamide and the primary amino group of 1-quinolin-8-ylthiourea. It is a selective inhibitor of cellular complexes that dephosphorylate eukaryotic translation initiation factor 2 subunit alpha (eIF2alpha). CAS:405060-95-9|PMID:15705855|PMID:22610062|PMID:23178987|PMID:23473976|PMID:23603983|PMID:23816340|PMID:23824972|PMID:24418467|PMID:24728926|PMID:25030410|PMID:25157407|PMID:25230871|PMID:25435425|PMID:25582550|PMID:25619567|PMID:25816071|PMID:25882497|PMID:25977571|PMID:26021511|PMID:26193263|PMID:26328492|PMID:26505387|PMID:26743901|PMID:26889171|PMID:27123756|PMID:27131989|Patent:EP2589593|Reaxys:13925629|Wikipedia:Salubrinal phenio.json (2E)-3-phenyl-N-{2,2,2-trichloro-1-[(quinolin-8-ylcarbamothioyl)amino]ethyl}acrylamide|(E)-3-phenyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide http://purl.obolibrary.org/obo/CHEBI_131923 3_STAR
CHEBI:131927 biolink:ChemicalSubstance dicarboxylic acids and O-substituted derivatives A class of carbonyl compound encompassing dicarboxylic acids and any derivatives obtained by substitution of either one or both of the carboxy hydrogens. phenio.json dicarboxylic acids and derivatives http://purl.obolibrary.org/obo/CHEBI_131927 3_STAR
CHEBI:13193 biolink:ChemicalSubstance hydrogen acceptor A molecular entity that can undergo reduction by the gain of hydrogen atom(s). phenio.json A http://purl.obolibrary.org/obo/CHEBI_13193 3_STAR
CHEBI:131958 biolink:ChemicalSubstance (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate A polyunsaturated fatty acid anion that is the conjugate base of 13S,14S-epoxy-DHA, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:23504711|PMID:25036362 phenio.json (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate|(13S,14S)-epoxy-DHA(1-)|(13S,14S)-epoxy-maresin(1-)|(4Z,7Z,9E,11E)-12-{(2S,3S)-3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}dodeca-4,7,9,11-tetraenoate http://purl.obolibrary.org/obo/CHEBI_131958 3_STAR
CHEBI:131960 biolink:ChemicalSubstance fluoroindole An organofluorine compound that is a compound based on an indole skeleton, containing one or more fluorine atoms. phenio.json fluoroindoles http://purl.obolibrary.org/obo/CHEBI_131960 3_STAR
CHEBI:131968 biolink:ChemicalSubstance tyrphostin B42 A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid with the amino group of benzylamine. CAS:133550-30-8|LINCS:LSM-42880|PMID:10929036|PMID:22363408|PMID:26190257|PMID:26438799|PMID:26487394|PMID:26750536|PMID:26919242|PMID:27011172|PMID:27044832|PMID:27101310|PMID:27107220|PMID:27274711|Reaxys:4323263 phenio.json (2E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enamide|AG 490|AG-490|AG490|tyrphostin AG-490 http://purl.obolibrary.org/obo/CHEBI_131968 3_STAR
CHEBI:13197 biolink:ChemicalSubstance ribonucleoside 3'-monophosphate(2-) A ribonucleoside 3'-monophosphate(2-) oxoanion in which both of the acidic hydroxy groups from the phosphate moiety are deprotonated. phenio.json a ribonucleoside 3'-phosphate http://purl.obolibrary.org/obo/CHEBI_13197 3_STAR
CHEBI:131982 biolink:ChemicalSubstance 1-icosenoyl-sn-glycero-3-phosphocholine A lysophosphatidylcholine 20:1 in which the acyl group is located at position 1. phenio.json 1-eicosenoyl-GPC|1-eicosenoyl-GPC (20:1)|1-eicosenoyl-sn-glycero-3-phosphocholine|GPC(20:1)|GPC(20:1/0:0)|LPC(20:1/0:0)|PC(20:1/0:0)|lysophosphatidylcholine (20:1/0:0) http://purl.obolibrary.org/obo/CHEBI_131982 3_STAR
CHEBI:131992 biolink:ChemicalSubstance 5,6-EET(1-) An EET(1-) that is the conjugate base of 5,6-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:8631948 phenio.json 4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoate|5,6-EpETrE|5,6-epoxy-(8Z,11Z,14Z)-eicosatrienoate|5,6-epoxy-(8Z,11Z,14Z)-icosatrienoate http://purl.obolibrary.org/obo/CHEBI_131992 3_STAR
CHEBI:132007 biolink:ChemicalSubstance cholesteryl icosapentaenoate A cholesterol ester in which the acyl group contains 20 carbons and 5 double bonds. phenio.json CE(20:5)|cholesteryl eicosapentaenoate http://purl.obolibrary.org/obo/CHEBI_132007 3_STAR
CHEBI:132016 biolink:ChemicalSubstance 17-HETE(1-) A HETE anion that is the conjugate base of 17-HETE, arising from deprotonation of the carboxy group; major species at pH 7.3. PMID:15041462 phenio.json (5Z,8Z,11Z,14Z)-17-hydroxyeicosatetraenoate|(5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoate|(5Z,8Z,11Z,14Z)-17-hydroxyicosatetraenoate|17-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate|17-hydroxy-(5Z,8Z,11Z,14Z)-icosatetraenoate|17-hydroxyarachidonate http://purl.obolibrary.org/obo/CHEBI_132016 3_STAR
CHEBI:132019 biolink:ChemicalSubstance 16-HETE(1-) A HETE anion that is the conjugate base of 16-HETE, arising from deprotonation of the carboxy group; major species at pH 7.3. PMID:15041462 phenio.json (5Z,8Z,11Z,14Z)-16-hydroxyeicosatetraenoate|(5Z,8Z,11Z,14Z)-16-hydroxyicosa-5,8,11,14-tetraenoate|(5Z,8Z,11Z,14Z)-16-hydroxyicosatetraenoate|(all-cis)-16-hydroxy-5,8,11,14-eicosatetraenoate|(all-cis)-16-hydroxy-5,8,11,14-icosatetraenoate|16-hydroxy -(5Z,8Z,11Z,14Z)-icosatetraenoate|16-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate|16-hydroxyarachidonate http://purl.obolibrary.org/obo/CHEBI_132019 3_STAR
CHEBI:132023 biolink:ChemicalSubstance S-acyl-4'-phosphopantetheine(2-) A phosphopantetheine anion obtained by deprotonation of the phosphate OH groups of any S-acyl-4'-phosphopantetheine; major species at pH 7.3. PMID:18799520 phenio.json S-acyl-D-pantetheine 4'-phosphate(2-)|an acyl-4'-phosphopantetheine http://purl.obolibrary.org/obo/CHEBI_132023 3_STAR
CHEBI:132028 biolink:ChemicalSubstance tauroursodeoxycholate An organosulfonate oxoanion that is the conjugate base of tauroursodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3. MetaCyc:CPD-18799|PMID:16332456|Reaxys:3919128 phenio.json 2-[(3alpha,7beta-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate|2-{[(3alpha,5beta,7beta)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethane-1-sulfonate|N-(3alpha,7beta-dihydroxy-5beta-cholan-24-oyl)taurine(1-)|N-ursodeoxycholoyltaurine(1-)|tauroursodeoxycholate http://purl.obolibrary.org/obo/CHEBI_132028 3_STAR
CHEBI:132040 biolink:ChemicalSubstance fatty acid-taurine conjugate(1-) An organosulfonate oxoanion obtained by deprotonation of the sulfonate group of any fatty acid-taurine conjugate; major species at pH 7.3. PMID:17116739 phenio.json an N-fatty acyl-taurine|fatty acid-taurine conjugate anion http://purl.obolibrary.org/obo/CHEBI_132040 3_STAR
CHEBI:132041 biolink:ChemicalSubstance perindoprilat A dipeptide obtained by formal condensation of one of the carboxy groups of N-[(1S)-1-carboxyethyl]-L-norvaline with the amino group of (2S,3aS,7aS)-octahydroindole-2-carboxylic acid. The major active metabolite of perindopril. CAS:95153-31-4|HMDB:HMDB0060574|PDBeChem:X94|PMID:1457697|PMID:14730103|PMID:16094492|PMID:16709467|PMID:17901571|PMID:18156630|PMID:19641692|PMID:1995891|PMID:20195579|PMID:21411099|PMID:21650082|PMID:22935500|PMID:23124459|PMID:24588464|PMID:24799074|PMID:25485905|PMID:26365335|PMID:26794937|PMID:26988149|PMID:27422988|PMID:27803936|Reaxys:4207072 phenio.json (2S,3aS,7aS)-1-[(2S)-2-{[(1S)-1-carboxybutyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid|N-{(2S)-1-[(2S,3aS,7aS)-2-carboxyoctahydro-1H-indol-1-yl]-1-oxopropan-2-yl}-L-norvaline|S 9780|S-9780|perindoprilate|perindoprilato|perindoprilatum|perondropilat http://purl.obolibrary.org/obo/CHEBI_132041 3_STAR
CHEBI:132047 biolink:ChemicalSubstance N-stearoyltaurine(1-) A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-stearoyltaurine; major species at pH 7.3. PMID:17116739 phenio.json 2-(octadecanoylamino)ethane-1-sulfonate|N-octadecanoyl-taurine|N-octadecanoyl-taurine(1-)|N-octadecanoyltaurine(1-)|N-stearoyltaurine(1-) http://purl.obolibrary.org/obo/CHEBI_132047 3_STAR
CHEBI:132058 biolink:ChemicalSubstance N-pentacosanoylsphingosine-1-phosphocholine A sphingomyelin d18:1 obtained by formal condensation of the carboxy group of pentacosanoic acid with the amino group of sphingosine. LIPID_MAPS_instance:LMSP03010027 phenio.json (2S,3R,4E)-3-hydroxy-2-(pentacosanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate|C25-Sphingomyelin|N-(pentacosanoyl)-sphing-4-enine-1-phosphocholine|N-pentacosanoylsphing-4-enine-1-phosphocholine|SM(d18:1/25:0)|sphingomyelin d18:1/25:0 http://purl.obolibrary.org/obo/CHEBI_132058 3_STAR
CHEBI:132059 biolink:ChemicalSubstance sphingomyelin 43:1 A sphingomyelin in which the total number of carbons in the sphingoid base and fatty acyl groups is 43 with 1 double bond. phenio.json SM 43:1|SM(43:1)|sphingomyelin(43:1) http://purl.obolibrary.org/obo/CHEBI_132059 3_STAR
CHEBI:132069 biolink:ChemicalSubstance (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate A cyclic purine nucleotide obtained by formation of a bond between positions 3' and 8 of guanosine 5'-triphosphate. MetaCyc:CPD-19179|PMID:25941396|Reaxys:28243020 phenio.json 3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate http://purl.obolibrary.org/obo/CHEBI_132069 3_STAR
CHEBI:132070 biolink:ChemicalSubstance eoxin A4(1-) A polyunsaturated fatty acid anion that is the conjugate base of eoxin A4, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:23242647 phenio.json (14S,15S)-epoxy-(5Z,8Z,10E,12E)-eicosatetraenoate|(14S,15S)-epoxy-(5Z,8Z,10E,12E)-icosatetraenoate|(5Z,8Z,10E,12E)-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,10,12-tetraenoate|14(S),15(S)-EETeTr(1-)|14(S),15(S)-EpETE(1-) http://purl.obolibrary.org/obo/CHEBI_132070 3_STAR
CHEBI:132079 biolink:ChemicalSubstance resolvin D1(1-) A polyunsaturated fatty acid anion that is the conjugate base of resolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3. HMDB:HMDB0003733|PMID:17244615 phenio.json (4Z,7S,9E,11E,13Z,15E,17S,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoate|RvD1(1-)|resolvin D1 http://purl.obolibrary.org/obo/CHEBI_132079 3_STAR
CHEBI:132080 biolink:ChemicalSubstance 8-oxoresolvin D1(1-) A polyunsaturated fatty acid anion that is the conjugate base of 8-oxoresolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:17244615 phenio.json (4Z,7S,9E,11E,13Z,15E,17S,19Z)-7,17-dihydroxy-8-oxodocosa-4,9,11,13,15,19-hexaenoate|8-oxo-RvD1(1-)|8-oxoresolvin D1 http://purl.obolibrary.org/obo/CHEBI_132080 3_STAR
CHEBI:132081 biolink:ChemicalSubstance 17-oxoresolvin D1(1-) A polyunsaturated fatty acid that is the conjugate base of 17-oxoresolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:17244615 phenio.json (4Z,7S,8R,9E,11E,13Z,15E,19Z)-7,8-dihydroxy-17-oxodocosa-4,9,11,13,15,19-hexaenoate|17-oxo-RvD1(1-)|17-oxoresolvin D1 http://purl.obolibrary.org/obo/CHEBI_132081 3_STAR
CHEBI:132082 biolink:ChemicalSubstance entinostat A member of the class of benzamides resulting from the formal condensation of the carboxy group of the pyridin-3-ylmethyl carbamate derivative of p-(aminomethyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an inhibitor of histone deacetylase isoform 1 (HDAC1) and isoform 3 (HDAC3). CAS:209783-80-2|KEGG:D09338|LINCS:LSM-4811|PMID:10200307|PMID:12414635|PMID:21767511|PMID:23247046|PMID:23410027|PMID:24147654|PMID:25610877|PMID:26098363|PMID:26464689|PMID:26614912|PMID:26711240|PMID:27151994|Reaxys:8442710|Wikipedia:Entinostat phenio.json BAY 86-5274|BAY86-5274|MS 27-275|MS 275|MS-27-275|MS-275|N-(2-aminophenyl)-4-(N-(pyridin-3-ylmethoxycarbonyl)aminomethyl)benzamide|N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]carbamic acid 3-pyridinylmethyl ester|SNDX 275|SNDX-275|entinostat|entinostatum|pyridin-3-ylmethyl {4-[(2-aminophenyl)carbamoyl]benzyl}carbamate http://purl.obolibrary.org/obo/CHEBI_132082 3_STAR
CHEBI:132083 biolink:ChemicalSubstance 18(S)-HEPE(1-) An 18-HEPE(1-) that is the conjugate base of 18(S)-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3. PMID:21206090 phenio.json (18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate|(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-icosapentaenoate|(5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoate http://purl.obolibrary.org/obo/CHEBI_132083 3_STAR
CHEBI:132085 biolink:ChemicalSubstance O(3)-(beta-D-xylosyl)-L-serine residue An L-alpha-amino acid residue derived from O(3)-(beta-D-xylosyl)-L-serine. MetaCyc:Core-Protein-L-Ser-Xyl phenio.json O(3)-(beta-D-xylosyl)-L-serine residue http://purl.obolibrary.org/obo/CHEBI_132085 3_STAR
CHEBI:132088 biolink:ChemicalSubstance O(3)-(beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue An L-alpha-amino acid residue derived from O(3)-(beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine. MetaCyc:CPD-8202 phenio.json O(3)-(4-beta-D-galactosyl-beta-D-xylosyl)-L-serine residue http://purl.obolibrary.org/obo/CHEBI_132088 3_STAR
CHEBI:13209 biolink:ChemicalSubstance long-chain fatty acid ethyl ester A fatty acid ethyl ester resulting from the formal condensation of the carboxy group of a long-chain fatty acid with the hydroxy group of ethanol. phenio.json a long-chain fatty acyl ethyl ester|long-chain fatty acid ethyl esters|long-chain fatty acyl ethyl ester|long-chain fatty acyl ethyl esters http://purl.obolibrary.org/obo/CHEBI_13209 3_STAR
CHEBI:132090 biolink:ChemicalSubstance O(3)-(beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue An L-alpha-amino acid residue derived from O(3)-(beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine MetaCyc:Gal-Gal-Xyl-Proteins phenio.json O(3)-(beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-Ser residue|O(3)-(beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue http://purl.obolibrary.org/obo/CHEBI_132090 3_STAR
CHEBI:132091 biolink:ChemicalSubstance (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate An icosanoid anion that is the conjugate base of (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid, arising from deprotonation of the carboxylic acid group; major species at pH 7.3. PMID:21206090 phenio.json (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoate|(5S,6E,8Z,11Z,14Z,16E,18S)-5-hydroperoxy-18-hydroxyicosa-6,8,11,14,16-pentaenoate|18(S)-hydroxy-5(S)-HpEPE(1-)|18S-hydroxy-5S-HpEPE(1-) http://purl.obolibrary.org/obo/CHEBI_132091 3_STAR
CHEBI:132093 biolink:ChemicalSubstance O(3)-(beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine(1-) residue An organic anionic group obtained by deprotonation of the glucuronosyl carboxy group of O(3)-(beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue; major species at pH 7.3. MetaCyc:GlcA-Gal-Gal-Xyl-Proteins phenio.json 3-O-(beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue|O(3)-(beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-Ser(1-) residue http://purl.obolibrary.org/obo/CHEBI_132093 3_STAR
CHEBI:132097 biolink:ChemicalSubstance methoxyacetate A monocarboxylic acid anion that is the conjugate base of methoxyacetic acid, obtained by deprotonation of the carboxy group. MetaCyc:CPD-12993|Reaxys:3536277 phenio.json methoxyacetate http://purl.obolibrary.org/obo/CHEBI_132097 3_STAR
CHEBI:132098 biolink:ChemicalSubstance methoxyacetic acid A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a methoxy group. CAS:625-45-6|HMDB:HMDB0041929|MetaCyc:CPD-12993|PMID:23290149|PMID:23290947|PMID:24798094|PMID:25606576|PMID:26001161|PMID:26006246|PMID:26802500|Reaxys:635800 phenio.json 2-Methoxyacetic acid|CH3OCH2COOH|Methoxyethanoic acid|methoxyacetic acid http://purl.obolibrary.org/obo/CHEBI_132098 3_STAR
CHEBI:132102 biolink:ChemicalSubstance buspirone(1+) An ammonium ion resulting from the addition of a proton to the piperazine nitrogen that is not attached to the pyrimidinyl group. The major species at pH 7.3. phenio.json 1-[4-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butyl]-4-(pyrimidin-2-yl)piperazin-1-ium http://purl.obolibrary.org/obo/CHEBI_132102 3_STAR
CHEBI:132104 biolink:ChemicalSubstance O(3)-(N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine(1-) residue An organic anionic group obtained by deprotonation of the glucuronosyl carboxy group of O(3)-(N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue. MetaCyc:GlcNAc-GlcA-Gal-Gal-Xyl-Protein phenio.json 3-O-(N-acetyl-alpha-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue|O(3)-(alpha-D-GlcNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-Ser(1-) residue http://purl.obolibrary.org/obo/CHEBI_132104 3_STAR
CHEBI:132105 biolink:ChemicalSubstance O(3)-(N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine(1-) residue An organic anionic group obtained by deprotonation of the glucuronosyl carboxy group of O(3)-(N-acetyl-beta-D-glucosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue. MetaCyc:GalNAc-GlcA-Gal-Gal-Xyl-Proteins phenio.json O(3)-(N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue|O(3)-(beta-D-GalNAc-(1->4)-beta-D-GlcA-(1->3)-beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Xyl)-L-serine(1-) residue http://purl.obolibrary.org/obo/CHEBI_132105 3_STAR
CHEBI:132106 biolink:ChemicalSubstance sodium propionate An organic sodium salt comprising equal numbers of sodium and propionate ions. CAS:137-40-6|KEGG:D08440|PMID:26141376|PMID:27173555|Reaxys:3566934|Wikipedia:Sodium_propionate phenio.json E281|Natriumpropionat|Propanoic acid, sodium salt|Propionic acid sodium salt|Sodium propionate anhydrous|sodium propanoate http://purl.obolibrary.org/obo/CHEBI_132106 3_STAR
CHEBI:132111 biolink:ChemicalSubstance syringate A methoxybenzoate that is the conjugate base of syringic acid, obtained by deprotonation of the carboxy group. Reaxys:3675103 phenio.json 4-hydroxy-3,5-dimethoxybenzoate|syringate http://purl.obolibrary.org/obo/CHEBI_132111 3_STAR
CHEBI:132112 biolink:ChemicalSubstance sodium thiosulfate An inorganic sodium salt composed of sodium and thiosulfate ions in a 2:1 ratio. CAS:7772-98-7|FooDB:FDB015436|PMID:26269005|PMID:26494591|PMID:26623950|PMID:26723482|PMID:26799451|PMID:26856696|PMID:26871829|PMID:27051974|PMID:27094188|PMID:27163355|Reaxys:11323704|Wikipedia:Sodium_thiosulfate phenio.json Disodium thiosulfate|Sodium hyposulfite|Sodium oxide sulfide|Sodium thiosulphate|Thiosulfuric acid, disodium salt|anhydrous sodium thiosulfate|disodium sulfurothioate|sodium thiosulfate (anhydrous) http://purl.obolibrary.org/obo/CHEBI_132112 3_STAR
CHEBI:132114 biolink:ChemicalSubstance UDP-N-acetyl-alpha-D-galactosamine 4-sulfate(3-) A UDP-N-acetyl-D-galactosamine 4-sulfate(4-) in which the anomeric centre of the galactosamine fragment has alpha-configuration phenio.json UDP-N-acetyl-alpha-D-galactosamine 4-sulfate http://purl.obolibrary.org/obo/CHEBI_132114 3_STAR
CHEBI:132115 biolink:ChemicalSubstance UDP-N-acetyl-alpha-D-galactosamine 4,6-bissulfate(4-) A UDP-N-acetyl-D-galactosamine 4,6-bissulfate(4-) in which the anomeric centre of the galactosamine fragment has alpha-configuration phenio.json UDP-N-acetyl-alpha-D-galactosamine 4,6-bissulfate http://purl.obolibrary.org/obo/CHEBI_132115 3_STAR
CHEBI:132116 biolink:ChemicalSubstance 2-hydroxyisobutanoyl-CoA A hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyisobutanoic acid. MetaCyc:CPD-19040|PMID:22433853|PMID:25720495|PMID:25911482|Reaxys:22539664 phenio.json 2-hydroxyisobutanoyl-coenzyme A|2-hydroxyisobutyryl-CoA|2-hydroxyisobutyryl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_132116 3_STAR
CHEBI:132120 biolink:ChemicalSubstance resolvin Hydroxy fatty acids that are di- or trihydroxy metabolites of the polyunsaturated omega-3 fatty acids, particularly icosapentaenoic acid, docosahexaenoic acid and docosapentaenoic acid. PMID:25359497|PMID:26546247|PMID:26986653|Wikipedia:Resolvin phenio.json resolution phase interaction product|resolution phase interaction products|resolvins http://purl.obolibrary.org/obo/CHEBI_132120 3_STAR
CHEBI:132123 biolink:ChemicalSubstance 1,2-benzoquinones Any member of the class of orthoquinones that is 1,2-benzoquinone or its C-substituted derivatives. phenio.json a 1,2-benzoquinone|o-benzoquinones|ortho-benzoquinones http://purl.obolibrary.org/obo/CHEBI_132123 3_STAR
CHEBI:132124 biolink:ChemicalSubstance 1,4-benzoquinones Any member of the class of benzoquinones that is 1,4-benzoquinone or its C-substituted derivatives. phenio.json a quinone|p-benzoquinones|para-benzoquinones http://purl.obolibrary.org/obo/CHEBI_132124 3_STAR
CHEBI:132126 biolink:ChemicalSubstance dihydroxy-1,4-benzoquinones A hydroxybenzoquinone that is any 1,4-benzoquinone in which two of the substituents on the quinone ring are hydroxy groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_132126 3_STAR
CHEBI:132127 biolink:ChemicalSubstance hepoxilin A3(1-) A hepoxilin anion that is the conjugate base of hepoxilin A3, arising from deprotonation of the carboxylic acid group; major species at pH 7.3. PMID:15123652 phenio.json (5Z,9E)-8-hydroxy-10-{(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,9-dienoate|8-hydroxy-(11S,12S)-epoxy-(5Z,9E,14Z)-eicosatrienoate|8-hydroxy-(11S,12S)-epoxy-(5Z,9E,14Z)-icosatrienoate http://purl.obolibrary.org/obo/CHEBI_132127 3_STAR
CHEBI:132130 biolink:ChemicalSubstance hydroxyquinone Any quinone in which one or more of the carbons making up the quinone moiety is substituted by a hydroxy group. phenio.json hydroxyquinones http://purl.obolibrary.org/obo/CHEBI_132130 3_STAR
CHEBI:132141 biolink:ChemicalSubstance 1,2-naphthoquinones Any napthoquinone in which the oxo groups of the quinone moiety are at the 1 and 2 positions of the naphthalene ring. phenio.json http://purl.obolibrary.org/obo/CHEBI_132141 3_STAR
CHEBI:132142 biolink:ChemicalSubstance 1,4-naphthoquinones A naphthoquinone in which the oxo groups of the quinone moiety are at positions 1 and 4 of the parent naphthalene ring. phenio.json http://purl.obolibrary.org/obo/CHEBI_132142 3_STAR
CHEBI:132151 biolink:ChemicalSubstance beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc(1-) A monocarboxylic acid anion obtained by deprotonation of the carboxy group of beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc; major species at pH 7.3. MetaCyc:CPD-13473 phenio.json 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-D-glucopyranose|3-(4-deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine|3-(4-deoxy-beta-D-gluc-4-enuronosyl)-N-acetyl-D-glucosamine(1-)|4-deoxy-beta-D-gluc-4-enuronosyl-(1->3)-N-acetyl-D-glucosamine|beta-D-4-deoxy-Delta(4)-GlcA-(1->3)-D-GlcNAc(1-) http://purl.obolibrary.org/obo/CHEBI_132151 3_STAR
CHEBI:132153 biolink:ChemicalSubstance hyaluronate A carbohydrate acid derivative anion obtained by deprotonation of the carboxy groups of hyaluronic acid; major species at pH 7.3. phenio.json hyaluronan|hyaluronate polyanion http://purl.obolibrary.org/obo/CHEBI_132153 3_STAR
CHEBI:132154 biolink:ChemicalSubstance N-acetyl-beta-D-glucosaminyl-(1->4)-[hyaluronate] A carbohydrate acid derivative anion obtained by deprotonation of the carboxy groups of N-acetyl-beta-D-glucosaminyl-(1->4)-[hyaluronic acid]; major species at pH 7.3. MetaCyc:Hyaluronan-NAc-glucosaminide phenio.json N-acetyl-beta-D-glucosaminyl-(1->4)-[hyaluronan] http://purl.obolibrary.org/obo/CHEBI_132154 3_STAR
CHEBI:132155 biolink:ChemicalSubstance hydroxynaphthoquinone Any naphthoquinone in which the naphthaoquinone moiety is substituted by at least one hydroxy group. Wikipedia:Hydroxynaphthoquinone phenio.json hydroxynaphthoquinones http://purl.obolibrary.org/obo/CHEBI_132155 3_STAR
CHEBI:132157 biolink:ChemicalSubstance hydroxy-1,4-naphthoquinone Any member of the class of 1,4-naphthoquinones in which the naphthoquinone moiety is substituted by at least one hydroxy group. phenio.json hydroxy-1,4-naphthoquinones http://purl.obolibrary.org/obo/CHEBI_132157 3_STAR
CHEBI:132174 biolink:ChemicalSubstance beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(2-) A beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate(2-) in which the anomeric centre connected to the diphosphate group has alpha-configuration. MetaCyc:BETA-D-GLUCOSYL-14-N-ACETYL-D-GLUCOSAMI phenio.json 2-acetamido-2-deoxy-4-O-beta-D-glucopyranosyl-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-alpha-D-glucopyranose|Glc-GlcNAc-PP-undecaprenol(2-)|beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate|beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate(2-) http://purl.obolibrary.org/obo/CHEBI_132174 3_STAR
CHEBI:132177 biolink:ChemicalSubstance 2-hydroxy-3-methyl-2-butenoic acid An alpha,beta-unsaturated monocarboxylic acid that is 3-methylbut-2-enoic acid in which the hydrogen at position 2 has been replaced by a hydroxy group. Chemspider:28716810 phenio.json 2-hydroxy-3-methylbut-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_132177 3_STAR
CHEBI:132188 biolink:ChemicalSubstance methionine sulfone A methionine derivative in which the sulfur has been oxidised to the corresponding sulfone. CAS:820-10-0|Chemspider:63154|Reaxys:1725512 phenio.json 2-amino-4-(methanesulfonyl)butanoic acid|methionine S,S-dioxide|methionine sulfone http://purl.obolibrary.org/obo/CHEBI_132188 3_STAR
CHEBI:132198 biolink:ChemicalSubstance pentahydroxyanthraquinone An anthraquinone in which the anthraquinone moiety is substituted by a five hydroxy groups. phenio.json pentahydroxyanthraquinones http://purl.obolibrary.org/obo/CHEBI_132198 3_STAR
CHEBI:132202 biolink:ChemicalSubstance (2R)-CDP-glycerol A CDP-glycerol in which the 2-postion of the glycerol portion has R-configuration. KEGG:C00513|MetaCyc:CPD-606|Reaxys:69438 phenio.json (2R)-cytidine 5'-diphosphate glycerol|(2R)-cytidine diphosphate glycerol|5'-O-[({[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]cytidine|cytidine 5'-{3-[(2R)-2,3-dihydroxypropyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_132202 3_STAR
CHEBI:132210 biolink:ChemicalSubstance N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(2-) An N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate(2-) in which the anomeric centre connected to the diphosphate group has alpha-configuration. MetaCyc:ACETYL-ETCETERA-GLUCOSAMINYLDIPHOSPHOUND phenio.json 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-mannopyranosyl)-2-deoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-alpha-D-glucopyranose|ManNAc-GlcNAc-PP-undecaprenol(2-)|N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate|N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate(2-) http://purl.obolibrary.org/obo/CHEBI_132210 3_STAR
CHEBI:132211 biolink:ChemicalSubstance 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(3-) An organophosphate oxoanion obtained by deprotonation of the phosphate and diphosphate functions of 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate; major species at pH 7.3. MetaCyc:CPD-5802 phenio.json 2-acetamido-4-O-(2-acetamido-2-deoxy-4-O-{[(2R)-2,3-dihydroxypropoxy]phosphinato}-beta-D-glucopyranosyl)-2-deoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-alpha-D-glucopyranose|4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate(3-)|4-O-[(2R)-glycerylphospho]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132211 3_STAR
CHEBI:132218 biolink:ChemicalSubstance 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate An icosanoid anion arising from deprotonation of the carboxylic acid function of 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid; major species at pH 7.3. PMID:21206090 phenio.json (5S)-hydroperoxy-(18R)-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoate|(5S)-hydroperoxy-(18R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate|(5S,6E,8Z,11Z,14Z,16E,18R)-5-hydroperoxy-18-hydroxyicosa-6,8,11,14,16-pentaenoate|18(R)-hydroxy-5(S)-HpEPE(1-)|5(S)-Hp-18(R)-HEPE(1-) http://purl.obolibrary.org/obo/CHEBI_132218 3_STAR
CHEBI:132224 biolink:ChemicalSubstance 4-O-({poly[(2R)-1-glycerylphosphonato]}-[2R]-1-glycerylphosphonato)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate polyanion A polyanionic polymer obtained by deprotonation of the phosphate and diphosphate functions of 4-O-({poly[(2R)-1-glycerylphosphonato]}-[2R]-1-glycerylphosphonato)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate; major species at pH 7.3. MetaCyc:Teichoic-P-Gro phenio.json 4-O-({poly[(2R)-glycerylphospho]}-(2R)-glycerylphospho)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132224 3_STAR
CHEBI:132228 biolink:ChemicalSubstance (13S,14S)-epoxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid An epoxy fatty acid consisting of (4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid having an epoxy group at the 13,14-position. An intermediate lipid in specialized proresolving mediators PMID:23504711|PMID:27791009 phenio.json (13S,14S)-epoxy-DHA|(13S,14S)-epoxymaresin|(4Z,7Z,9E,11E)-12-{(2S,3S)-3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}dodeca-4,7,9,11-tetraenoic acid|13(S),14(S)-epoxy-DHA|13(S),14(S)-epoxydocoshexaenoic acid http://purl.obolibrary.org/obo/CHEBI_132228 3_STAR
CHEBI:132230 biolink:ChemicalSubstance marbofloxacin A fluoroquinolone antibiotic that is 7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline substituted at positions 6, 9 and 10 by carboxy, fluoro and 4-methylpiperazin-1-yl groups, respectively. A synthetic, broad spectrum bactericidal agent, it is used in veterinary medicine, although its mechanism of action is not thoroughly understood. CAS:115550-35-1|LINCS:LSM-5799|PMID:25470431|PMID:25567298|PMID:25694049|PMID:25823453|PMID:26257726|PMID:26498102|PMID:26626889|PMID:26631082|PMID:26706558|PMID:26859613|PMID:26920300|PMID:26963935|PMID:26973615|PMID:27029676|Wikipedia:Marbofloxacin phenio.json 9-fluoro-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,3,4]oxadiazino[6,5,4-ij]quinoline-6-carboxylic acid|marbofloxacin|marbofloxacine|marbofloxacino|marbofloxacinum http://purl.obolibrary.org/obo/CHEBI_132230 3_STAR
CHEBI:132233 biolink:ChemicalSubstance 1-phenylpropan-2-amine A primary amine that is isopropylamine in which a hydrogen attached to one of the methyl groups has been replaced by a phenyl group. phenio.json 1-phenylpropan-2-amine http://purl.obolibrary.org/obo/CHEBI_132233 3_STAR
CHEBI:132246 biolink:ChemicalSubstance all-trans-3,4-didehydroretinol A retinoid derived from 3,4-desaturation of the beta-ionone ring of all-trans-retinol. AGR:IND601142190|CAS:79-80-1|Chemspider:4940721|FooDB:FDB013830|HMDB:HMDB0013117|KEGG:C21797|LIPID_MAPS_instance:LMPR01090008|MetaCyc:CPD-20073|PMID:12584011|PMID:1768425|PMID:1789986|PMID:19043141|PMID:2087172|PMID:21895779|PMID:22307745|PMID:22959581|PMID:24330939|PMID:26549260|PMID:27059013|PMID:2856858|PMID:28701464|PMID:28776449|PMID:31548472|PMID:3367238|PMID:3390455|PMID:3654104|PMID:3874747|PMID:4067325|PMID:7371787|PMID:7720529|PMID:7803489|PMID:8032128|PMID:8352734|PMID:8592069|PMID:9080660|Reaxys:1881707 phenio.json (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraen-1-ol|3,4-didehydro-all-trans-retinol|3,4-didehydro-retinol|3,4-didehydroretinol|3-dehydoretinol|all-trans-3,4-didehydroretinol|all-trans-3-Dehydroretinol|dehydroretinol|vitamin A2 http://purl.obolibrary.org/obo/CHEBI_132246 3_STAR
CHEBI:132248 biolink:ChemicalSubstance N(4)-(N-acetyl-beta-D-glucosyl)-L-asparagine residue An L-alpha-amino acid residue derived from N(4)-(N-acetyl-beta-D-glucosyl)-L-asparagine. MetaCyc:CPD-8541 phenio.json N(4)-(N-acetyl-beta-D-glucosyl)-L-asparagine residue http://purl.obolibrary.org/obo/CHEBI_132248 3_STAR
CHEBI:132267 biolink:ChemicalSubstance triptonide A diterpene triepoxide that is triptobenzene K in which the acylhydroquinone moiety has undergone oxidation to the corresponding triepoxyketone derivative. It has been isolated from the roots of Tripterygium wilfordii. CBA:292103|PMID:10774048|PMID:12903464|PMID:24346247|PMID:25296383|PMID:25308753|PMID:5072337|PMID:8237400|PMID:9863222|Pubchem:65411|Reaxys:5313008 phenio.json (-)-triptonide|(3bS,4aS,5aS,6aS,7aS,7bS,8aS,8bS)-6a-isopropyl-8b-methyl-3b,4,4a,7a,7b,8b,9,10-octahydrotrisoxireno[6,7:8a,9:4b,5]phenanthro[1,2-c]furan-1,6(3H,6aH)-dione http://purl.obolibrary.org/obo/CHEBI_132267 3_STAR
CHEBI:132294 biolink:ChemicalSubstance phenylephrine(1+) An organic cation obtained by protonation of the secondary amino function of phenylephrine. phenio.json (2R)-2-hydroxy-2-(3-hydroxyphenyl)-N-methylethan-1-aminium|phenylephrine cation http://purl.obolibrary.org/obo/CHEBI_132294 3_STAR
CHEBI:132296 biolink:ChemicalSubstance pseudoephedrine(1+) An organic cation obtained by protonation of the secondary amino function of pseudoephedrine. phenio.json (1S,2S)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium|(1S,2S)-pseudoephedrine|pseudoephedrine cation http://purl.obolibrary.org/obo/CHEBI_132296 3_STAR
CHEBI:132297 biolink:ChemicalSubstance methamphetamine(1+) An organic cation obtained by protonation of the secondary amino function of methamphetamine. phenio.json (2S)-N-methyl-1-phenylpropan-2-aminium|methamphetamine cation http://purl.obolibrary.org/obo/CHEBI_132297 3_STAR
CHEBI:132310 biolink:ChemicalSubstance S-acyl-4'-phosphopantetheine A thioester obtained by formal condensation of the thiol group of D-pantetheine 4'-phosphate with the carboxy group of any carboxylic acid. phenio.json S-acyl-D-pantetheine 4'-phosphate http://purl.obolibrary.org/obo/CHEBI_132310 3_STAR
CHEBI:132356 biolink:ChemicalSubstance 4-O-({poly[(2R)-2-glucosyl-1-glycerylphosphonato]}-[2R]-1-glycerylphosphonato)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate polyanion A polyanionic polymer obtained by deprotonation of the phosphate and diphosphate functions of 4-O-({poly[(2R)-2-glucosyl-1-glycerylphosphonato]}-[2R]-1-glycerylphosphonato)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate; major species at pH 7.3. MetaCyc:Teichoic-P-Gro-Glc phenio.json 4-O-({poly[(2R)-2-alpha-D-glycosyl-glycerylphospho]}-(2R)-glycerylphospho)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132356 3_STAR
CHEBI:132362 biolink:ChemicalSubstance citrate(4-) A citrate anion obtained by deprotonation of the three carboxy groups as well as the hydroxy group of citric acid. Chemspider:34552020 phenio.json 2-oxido-1,2,3-propanetricarboxylate|2-oxidopropane-1,2,3-tricarboxylate|citric acid tetraanion http://purl.obolibrary.org/obo/CHEBI_132362 3_STAR
CHEBI:132365 biolink:ChemicalSubstance EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitor An EC 1.14.11.* (oxidoreductase acting on paired donors, 2-oxoglutarate as one donor, incorporating 1 atom each of oxygen into both donors) inhibitor that interferes with the action of procollagen-proline dioxygenase (EC 1.14.11.2). Wikipedia:Procollagen-proline_dioxygenase phenio.json EC 1.14.11.2 (procollagen-proline dioxygenase) inhibitors|EC 1.14.11.2 inhibitor|EC 1.14.11.2 inhibitors|collagen proline hydroxylase inhibitor|collagen proline hydroxylase inhibitors|hydroxylase, collagen proline inhibitor|hydroxylase, collagen proline inhibitors|peptidyl proline hydroxylase inhibitor|peptidyl proline hydroxylase inhibitors|procollagen-L-proline,2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating) inhibitor|procollagen-L-proline,2-oxoglutarate:oxygen oxidoreductase (4-hydroxylating) inhibitors|procollagen-proline 4-dioxygenase inhibitor|procollagen-proline 4-dioxygenase inhibitors|procollagen-proline dioxygenase (EC 1.14.11.2) inhibitor|procollagen-proline dioxygenase (EC 1.14.11.2) inhibitors|procollagen-proline dioxygenase inhibitor|procollagen-proline dioxygenase inhibitors|procollagen-proline,2-oxoglutarate-4-dioxygenase inhibitor|procollagen-proline,2-oxoglutarate-4-dioxygenase inhibitors|proline hydroxylase inhibitor|proline hydroxylase inhibitors|proline protocollagen hydroxylase inhibitor|proline protocollagen hydroxylase inhibitors|proline, 2-oxoglutarate dioxygenase inhibitor|proline, 2-oxoglutarate dioxygenase inhibitors|proline,2-oxoglutarate 4-dioxygenase inhibitor|proline,2-oxoglutarate 4-dioxygenase inhibitors|prolyl 4-hydroxylase inhibitor|prolyl 4-hydroxylase inhibitors|prolyl hydroxylase inhibitor|prolyl hydroxylase inhibitors|prolyl-glycyl-peptide, 2-oxoglutarate:oxygen oxidoreductase, 4-hydroxylating inhibitor|prolyl-glycyl-peptide, 2-oxoglutarate:oxygen oxidoreductase, 4-hydroxylating inhibitors|prolylprotocollagen dioxygenase inhibitor|prolylprotocollagen dioxygenase inhibitors|prolylprotocollagen hydroxylase inhibitor|prolylprotocollagen hydroxylase inhibitors|protocollagen hydroxylase inhibitor|protocollagen hydroxylase inhibitors|protocollagen proline 4-hydroxylase inhibitor|protocollagen proline 4-hydroxylase inhibitors|protocollagen proline dioxygenase inhibitor|protocollagen proline dioxygenase inhibitors|protocollagen proline hydroxylase inhibitor|protocollagen proline hydroxylase inhibitors|protocollagen prolyl hydroxylase inhibitor|protocollagen prolyl hydroxylase inhibitors http://purl.obolibrary.org/obo/CHEBI_132365 3_STAR
CHEBI:132367 biolink:ChemicalSubstance beta-D-glucuronoside(1-) A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of any beta-D-glucuronoside. phenio.json acceptor beta-D-glucuronoside http://purl.obolibrary.org/obo/CHEBI_132367 3_STAR
CHEBI:132368 biolink:ChemicalSubstance glucuronate acceptor Any organic molecular entity that acts as a glucuronate acceptor. MetaCyc:Non-Glucur-Glucuronoside-Acceptors phenio.json glucuronate acceptor http://purl.obolibrary.org/obo/CHEBI_132368 3_STAR
CHEBI:132415 biolink:ChemicalSubstance O(3)-(poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl]-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue An L-alpha-amino acid residue derived from O(3)-(poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl]-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine. phenio.json O(3)-(poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl]-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue http://purl.obolibrary.org/obo/CHEBI_132415 3_STAR
CHEBI:132416 biolink:ChemicalSubstance O(3)-(N-acetyl-alpha-D-glucosaminyl-poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl]-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue An alpha-amino acid residue anion derived from O(3)-(N-acetyl-alpha-D-glucosaminyl-poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl]-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine phenio.json O(3)-(N-acetyl-alpha-D-glucosaminyl-poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl]-(1->4)-beta-D-glucuronosyl-(1->3)-beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-xylosyl)-L-serine residue http://purl.obolibrary.org/obo/CHEBI_132416 3_STAR
CHEBI:132471 biolink:ChemicalSubstance (+)-schisandrin B An organic heterotetracyclic compound that is found in Fructus Schisandrae and Schisandra chinensis. CAS:61281-37-6|PMID:24155209|PMID:25756908|PMID:25944533|PMID:26349966|PMID:26492645|PMID:26666831|PMID:26832323|PMID:26916957|PMID:26930483|PMID:27085037|PMID:27111849|PMID:27195753|PMID:27213323|PMID:28577438|PMID:28601638|PMID:28748322|PMID:28794616|PMID:28827665|PMID:28833320|PMID:28837807|PMID:28846887|PMID:28860616|PMID:29031142|PMID:29115607|PMID:29166724|PMID:29393335|PMID:29405807|PMID:29423034|Reaxys:5775836 phenio.json (+)-gamma-schizandrin|(+)-schizandrin B|(6R,7S13aR)-1,2,3,13-tetramethoxy-6,7-dimethyl-5,6,7,8-tetrahydro-11H-benzo[3',4']cycloocta[1',2':4,5]benzo[1,2-d][1,3]dioxole|Schizandrin B|Wuweizisu B|gamma-schisandrin|gamma-schizandrin|schisandrin B http://purl.obolibrary.org/obo/CHEBI_132471 3_STAR
CHEBI:132474 biolink:ChemicalSubstance fatty acid-taurine conjugate A monocarboxylic acid amide obtained by formal condensation of the carboxy group of any fatty acid with the amino group of taurine. PMID:17116739 phenio.json N-fatty acyl-taurine http://purl.obolibrary.org/obo/CHEBI_132474 3_STAR
CHEBI:132479 biolink:ChemicalSubstance N-stearoyltaurine A fatty acid-taurine conjugate derived from stearic acid. LIPID_MAPS_instance:LMFA08020078|Reaxys:17116739 phenio.json 2-(octadecanoylamino)ethane-1-sulfonic acid|N-octadecanoyl-taurine|N-octadecanoyltaurine|N-stearoyl taurine|N-stearoyl-taurine http://purl.obolibrary.org/obo/CHEBI_132479 3_STAR
CHEBI:13248 biolink:ChemicalSubstance anilide Any aromatic amide obtained by acylation of aniline. KEGG:C01402|PMID:23535982|PMID:23968552|PMID:24273122|PMID:6205897 phenio.json N-phenyl amide|N-phenyl amides|an anilide http://purl.obolibrary.org/obo/CHEBI_13248 3_STAR
CHEBI:132494 biolink:ChemicalSubstance fatty acid 16:2 Any polyunsaturated fatty acid containing 16 carbons and 2 double bonds. phenio.json FA 16:2|free fatty acid 16:2 http://purl.obolibrary.org/obo/CHEBI_132494 3_STAR
CHEBI:132499 biolink:ChemicalSubstance fatty acid 16:3 Any trienoic fatty acid containing 16 carbons. phenio.json FA 16:3|free fatty acid 16:3 http://purl.obolibrary.org/obo/CHEBI_132499 3_STAR
CHEBI:132502 biolink:ChemicalSubstance fatty acid 18:3 Any trienoic fatty acid containing 18 carbons. phenio.json FA 18:3|free fatty acid 18:3 http://purl.obolibrary.org/obo/CHEBI_132502 3_STAR
CHEBI:132503 biolink:ChemicalSubstance fatty acid 18:4 Any polyunsaturated fatty acid containing 18 carbons and 4 double bonds. phenio.json FA 18:4|free fatty acid 18:4 http://purl.obolibrary.org/obo/CHEBI_132503 3_STAR
CHEBI:132510 biolink:ChemicalSubstance alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) An alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5161 phenio.json alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol(2-)|alpha-D-mannopyranosyl-(1->3)-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132510 3_STAR
CHEBI:132511 biolink:ChemicalSubstance alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) An alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5162 phenio.json alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol(2-)|alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132511 3_STAR
CHEBI:132515 biolink:ChemicalSubstance alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5164 phenio.json alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-)|alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-mannopyranosyl-(1->6)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132515 3_STAR
CHEBI:132516 biolink:ChemicalSubstance alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5165 phenio.json alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-)|alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->6)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132516 3_STAR
CHEBI:132517 biolink:ChemicalSubstance alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5166 phenio.json alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132517 3_STAR
CHEBI:132519 biolink:ChemicalSubstance alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5167 phenio.json alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132519 3_STAR
CHEBI:132520 biolink:ChemicalSubstance alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5168 phenio.json alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132520 3_STAR
CHEBI:132521 biolink:ChemicalSubstance alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) An alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5169 phenio.json alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-glucopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132521 3_STAR
CHEBI:132522 biolink:ChemicalSubstance alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) An alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5170 phenio.json alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-glucopyranosyl-(1->3)-alpha-D-glucopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132522 3_STAR
CHEBI:132523 biolink:ChemicalSubstance alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) An alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-18076 phenio.json alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-glucopyranosyl-(1->2)-alpha-D-glucopyranosyl-(1->3)-alpha-D-glucopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132523 3_STAR
CHEBI:132525 biolink:ChemicalSubstance oligosaccharide-(1->4)-N-acetyl-beta-D-glucosamine-(1->4)-N-acetyl-alpha-D-glucosamine 1-phosphate(2-) An organophosphate oxoanion obtained by deprotonation of the phosphate group of any oligosaccharide-(1->4)-N-acetyl-beta-D-glucosamine-(1->4)-N-acetyl-alpha-D-glucosamine 1-phosphate; major species at pH 7.3. phenio.json an oligosaccharide-(1->4)-N,N'-diacetylchitobiosylphosphate (2-)|an oligosaccharide-(1->4)-N-acetyl-beta-D-glucosamine-(1->4)-N-acetyl-alpha-D-glucosamine 1-phosphate http://purl.obolibrary.org/obo/CHEBI_132525 3_STAR
CHEBI:132529 biolink:ChemicalSubstance N(4)-(oligosaccharide-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl)-L-asparagine residue An L-alpha-amino acid residue derived from any N(4)-(oligosaccharide-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl)-L-asparagine. phenio.json an N(4)-(oligosaccharide-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl)-L-asparagine residue http://purl.obolibrary.org/obo/CHEBI_132529 3_STAR
CHEBI:13253 biolink:ChemicalSubstance Asp-tRNA(Asx) phenio.json L-aspartyl-tRNA(Asx) http://purl.obolibrary.org/obo/CHEBI_13253 3_STAR
CHEBI:132537 biolink:ChemicalSubstance N(4)-(alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-asparaginyl residue An N(4)-(oligosaccharide-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl)-L-asparagine residue that is derived from N(4)-(alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-asparagine MetaCyc:CPD-18077 phenio.json N(4)-(alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc)-L-asparaginyl residue http://purl.obolibrary.org/obo/CHEBI_132537 3_STAR
CHEBI:132538 biolink:ChemicalSubstance fatty acid 20:1 Any monounsaturated fatty acid containing 20 carbons and 1 double bond. phenio.json FA 20:1|FA(20:1)|free fatty acid 20:1 http://purl.obolibrary.org/obo/CHEBI_132538 3_STAR
CHEBI:132539 biolink:ChemicalSubstance fatty acid 20:4 Any polyunsaturated fatty acid containing 20 carbons and 4 double bonds. phenio.json FA 20:4|free fatty acid 20:4 http://purl.obolibrary.org/obo/CHEBI_132539 3_STAR
CHEBI:132540 biolink:ChemicalSubstance fatty acid 20:5 Any polyunsaturated fatty acid containing 20 carbons and 5 double bonds. phenio.json FA 20:5|free fatty acid 20:5 http://purl.obolibrary.org/obo/CHEBI_132540 3_STAR
CHEBI:132541 biolink:ChemicalSubstance fatty acid 22:1 phenio.json FA 22:1|free fatty acid 22:1 http://purl.obolibrary.org/obo/CHEBI_132541 2_STAR
CHEBI:132542 biolink:ChemicalSubstance fatty acid 22:4 Any polyunsaturated fatty acid containing 22 carbons and 4 double bonds. phenio.json FA 22:4|FA(22:4)|free fatty acid 22:4 http://purl.obolibrary.org/obo/CHEBI_132542 3_STAR
CHEBI:132543 biolink:ChemicalSubstance fatty acid 22:5 Any polyunsaturated fatty acid containing 22 carbons and 5 double bonds. phenio.json FA 22:5|free fatty acid 22:5 http://purl.obolibrary.org/obo/CHEBI_132543 3_STAR
CHEBI:132544 biolink:ChemicalSubstance fatty acid 22:6 Any polyunsaturated fatty acid containing 22 carbons and 6 double bonds. phenio.json FA 22:6|FA(22:6)|free fatty acid 22:6 http://purl.obolibrary.org/obo/CHEBI_132544 3_STAR
CHEBI:132546 biolink:ChemicalSubstance 3-cyanoalanine An alanine derivative obtained by replacement of one of the methyl hydrogens in alanine with a cyano group CAS:923-01-3|PMID:26714205|PMID:27979192|Reaxys:2410687 phenio.json 2-amino-3-cyanopropanoic acid|beta-Cyanoalanine|beta-cyanoalanine|cyanoalanine|propargylglycine http://purl.obolibrary.org/obo/CHEBI_132546 3_STAR
CHEBI:132554 biolink:ChemicalSubstance oligomer A molecule of intermediate relative molecular mass, the structure of which essentially comprises a small plurality of units derived, actually or conceptually, from molecules of lower relative molecular mass. PMID:26399226|PMID:26453210|PMID:26915902|PMID:27077449|PMID:27281682|PMID:27363332|Wikipedia:Oligomer phenio.json oligomers http://purl.obolibrary.org/obo/CHEBI_132554 3_STAR
CHEBI:132569 biolink:ChemicalSubstance O-(S-[2R,4R,6R,8R]-2,4,6,8-tetramethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine(1-) residue An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue obatined by deprotonation of the phosphate group of any O-(S-[2R,4R,6R,8R]-2,4,6,8-tetramethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine residue; major species at pH 7.3. MetaCyc:mycocerosyl-MAS phenio.json O-(S-[2R,4R,6R,8R]-2,4,6,8-tetramethyl-very-long-chain fatty acyl-pantetheine-4'-phosphoryl)serine residue http://purl.obolibrary.org/obo/CHEBI_132569 3_STAR
CHEBI:132601 biolink:ChemicalSubstance phosphatidylethanolamine 42:7 zwitterion A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the two acyl groups contain 42 carbons in total with 7 double bonds. phenio.json PE 42:7|PE(42:7)|phosphatidylethanolamine(42:7) http://purl.obolibrary.org/obo/CHEBI_132601 3_STAR
CHEBI:132608 biolink:ChemicalSubstance TRPM4 channel inhibitor An inhibitor of transient receptor potential cation channel subfamily M member 4. Wikipedia:TRPM4 phenio.json TRPM4 channel inhibitors|Transient receptor potential cation channel subfamily M member 4 inhibitor|Transient receptor potential cation channel subfamily M member 4 inhibitors|melastatin 4 inhibitor|melastatin 4 inhibitors http://purl.obolibrary.org/obo/CHEBI_132608 3_STAR
CHEBI:132610 biolink:ChemicalSubstance phthalic acid monoester A dicarboxylic acid monoester resulting from the formal condensation of an alcoholic or aromatic hydroxy group with just one of the two carboxy groups of phthalic acid. phenio.json monoester of phthalic acid|monoesters of phthalic acid|phthalic acid monoesters http://purl.obolibrary.org/obo/CHEBI_132610 3_STAR
CHEBI:132623 biolink:ChemicalSubstance nodakenetin A marmesin with R-configuration. Beilstein:85845|CAS:495-32-9|KEGG:C09278|KNApSAcK:C00002485|PMID:17703773|PMID:18058380|PMID:18661821|PMID:19431019|PMID:19572262|PMID:20822011|PMID:22715728|PMID:24696544|PMID:25068578|PMID:25340301|PMID:26152875|PMID:27444348|Reaxys:85845 phenio.json (-)-Marmesin|(2R)-2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one|(R)-2-(1-Hydroxy-1-methylethyl)-2,3-dihydro-7H-furo(3,2-g)(1)benzopyran-7-one http://purl.obolibrary.org/obo/CHEBI_132623 3_STAR
CHEBI:132672 biolink:ChemicalSubstance phosphatidylethanolamine P-36:3 A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl and acyl groups at positions 1 and 2 contain 36 carbon atoms in total with 3 additional double bonds. phenio.json PE P-36:3|PE(P-36:3)|phosphatidylethanolamine P-36:3 zwitterion|phosphatidylethanolamine(P-36:3) http://purl.obolibrary.org/obo/CHEBI_132672 3_STAR
CHEBI:132673 biolink:ChemicalSubstance phosphatidylethanolamine P-36:4 A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl and acyl groups at positions 1 and 2 contain 36 carbon atoms in total with 4 additional double bonds. phenio.json PE P-36:4|PE(P-36:4)|phosphatidylethanolamine P-36:4 zwitterion|phosphatidylethanolamine(P-36:4) http://purl.obolibrary.org/obo/CHEBI_132673 3_STAR
CHEBI:132674 biolink:ChemicalSubstance phosphatidylethanolamine P-38:5 A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl and acyl groups at positions 1 and 2 contain 38 carbon atoms in total with 5 additional double bonds. phenio.json PE P-38:5|PE(P-38:5)|phosphatidylethanolamine(P-38:5) http://purl.obolibrary.org/obo/CHEBI_132674 3_STAR
CHEBI:132717 biolink:ChemicalSubstance bleaching agent A reagent that lightens or whitens a substrate through chemical reaction. Bleaching reactions usually involve oxidative or reductive processes that degrade colour systems. Bleaching can occur by destroying one or more of the double bonds in the conjugated chain, by cleaving the conjugated chain, or by oxidation of one of the other moieties in the conjugated chain. Their reactivity results in many bleaches having strong bactericidal, disinfecting, and sterilising properties. Wikipedia:Bleach phenio.json http://purl.obolibrary.org/obo/CHEBI_132717 3_STAR
CHEBI:132742 biolink:ChemicalSubstance lysophosphatidic acid A member of the class of lysophosphatidic acids obtained by hydrolytic removal of one of the two acyl groups of any phosphatidic acid. A 'closed' class. phenio.json lysophosphatidic acids http://purl.obolibrary.org/obo/CHEBI_132742 3_STAR
CHEBI:132749 biolink:ChemicalSubstance (S)-nandinine A berberine alkaloid that is 5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline carrying hydroxy and methoxy substituents at positions 9 and 10 respectively. CAS:572-76-9|CBA:618457|KEGG:C21370|MetaCyc:CPD-16783|PMID:17250743|PMID:21094631|PMID:27462872|PMID:28085967|Reaxys:21963851 phenio.json (+)-Nandinin|(+)-Tetrahydroberberrubine|(+)-nandinine|(13aS)-10-methoxy-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-9-ol|(S)-nandinine|10-Methoxy-2,3-(methylenedioxy)berbin-9-ol|Nandinine|S-Tetrahydroberberrubine http://purl.obolibrary.org/obo/CHEBI_132749 3_STAR
CHEBI:132767 biolink:ChemicalSubstance ferric pyrophosphate An iron coordination entity composed from Fe(3+) cations and diphosphate(4-) anions in a 4:3 ratio. CAS:10058-44-3|PMID:26928401|PMID:27053382|PMID:27132828|PMID:27153768|PMID:27267429|Reaxys:11322214|Reaxys:28495693 phenio.json Iron pyrophosphate|Iron(3+) pyrophosphate|Iron(III) diphosphate|Iron(III) pyrophosphate|Tetrairon tris(pyrophosphate)|ferric diphosphate|iron(3+) diphosphate|iron(3+) diphosphate (4/3)|tetrairon tris(diphosphate) http://purl.obolibrary.org/obo/CHEBI_132767 3_STAR
CHEBI:132771 biolink:ChemicalSubstance EC 3.6.5.* (hydrolases acting on GTP; involved in cellular and subcellular movement) inhibitor Any EC 3.6.* (hydrolases acting on acid anhydrides) inhibitor that interferes with the action of any such enzyme acting on GTP that is involved in cellular and subcellular movement (EC 3.6.5.*). phenio.json EC 3.6.5.* (hydrolases acting on GTP; involved in cellular and subcellular movement) inhibitors http://purl.obolibrary.org/obo/CHEBI_132771 3_STAR
CHEBI:132793 biolink:ChemicalSubstance albiflorin A monoterpene glycoside with formula C23H28O11, originally isolated from the roots of Paeonia lactiflora. CAS:39011-90-0|KEGG:C17457|KNApSAcK:C00033623|PMID:22674837|PMID:22782934|PMID:23695964|PMID:23707745|PMID:24422408|PMID:24646307|PMID:24907546|PMID:25042570|PMID:25423839|PMID:25507561|PMID:25938872|PMID:26058364|PMID:26080568|PMID:26089940|PMID:26475043|PMID:26719283|PMID:27038516|PMID:27070118|PMID:27313650|PMID:27376264|PMID:27429639|PMID:27608949|PMID:27633302|PMID:27646789|PMID:27975815|PMID:27993636|Reaxys:18602070 phenio.json [(1R,3R,4R,6S,9S)-1-(beta-D-glucopyranosyloxy)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0(3,9)]nonan-9-yl]methyl benzoate http://purl.obolibrary.org/obo/CHEBI_132793 3_STAR
CHEBI:132797 biolink:ChemicalSubstance 8-oxoresolvin D1 A resolvin that is docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid which is substituted by hydroxy groups at the 7 and 17 positions as well as an oxo group at the 8-position (the 7S,17S-stereoisomer). LIPID_MAPS_instance:LMFA04000079|PMID:17244615 phenio.json (4Z,7S,9E,11E,13Z,15E,17S,19Z)-7,17-dihydroxy-8-oxodocosa-4,9,11,13,15,19-hexaenoic acid|8-oxo-(7S,17S)-dihydroxy-(4Z,9E,11E,13Z,15E,19Z)-docosahexaenoic acid|8-oxo-7S,17S-dihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid|8-oxo-RvD1 http://purl.obolibrary.org/obo/CHEBI_132797 3_STAR
CHEBI:132800 biolink:ChemicalSubstance 17-oxoresolvin D1 A resolvin that is docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid which is substituted by hydroxy groups at the 7 and 8 positions as well as an oxo group at the 17-position (the 7S,8R-stereoisomer). LIPID_MAPS_instance:LMFA04000080|PMID:17244615 phenio.json (4Z,7S,8R,9E,11E,13Z,15E,19Z)-7,8-dihydroxy-17-oxodocosa-4,9,11,13,15,19-hexaenoic acid|17-oxo-(7S,8R)-dihydroxy-(4Z,9E,11E,13Z,15E,19Z)-docosahexaenoic acid|17-oxo-7S,8R-dihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid|17-oxo-RvD1 http://purl.obolibrary.org/obo/CHEBI_132800 3_STAR
CHEBI:132801 biolink:ChemicalSubstance 18(S)-HEPE An 18-HEPE that consists of (5Z,8Z,11Z,14Z,16E)-icosapentaenoic in which the 18-hydroxy group has S-configuration. LIPID_MAPS_instance:LMFA03070038|PMID:21206090|PMID:25187667 phenio.json (18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoic acid|(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-icosapentaenoic acid|(5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid|18S-HEPE|18S-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_132801 3_STAR
CHEBI:132802 biolink:ChemicalSubstance (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid A polyunsaturated fatty acid that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid substituted at positions 5 and 18 by hydroperoxy and hydroxy groups respectively (the 5S, 18S-stereoisomer). PMID:21206090 phenio.json (5S)-hydroperoxy-(18S)-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoic acid|(5S,6E,8Z,11Z,14Z,16E,18S)-5-hydroperoxy-18-hydroxyicosa-6,8,11,14,16-pentaenoic acid|18(S)-OH-5(S)-HpEPE|18(S)-hydroxy-5(S)-HpEPE http://purl.obolibrary.org/obo/CHEBI_132802 3_STAR
CHEBI:132803 biolink:ChemicalSubstance UDP-N-acetyl-alpha-D-galactosamine 4,6-bissulfate A UDP-N-acetyl-D-galactosamine 4,6-bissulfate in which the anomeric centre of the galactosamine fragment has alpha-configuration. KEGG:C04589 phenio.json UDP-N-acetyl-D-galactosamine 4,6-bissulfate http://purl.obolibrary.org/obo/CHEBI_132803 3_STAR
CHEBI:132804 biolink:ChemicalSubstance UDP-N-acetyl-alpha-D-galactosamine 4-sulfate A UDP-N-acetyl-D-galactosamine 4-sulfate in which the anomeric centre of the galactosamine fragment has alpha-configuration. CAS:3863-56-7|KEGG:C04426 phenio.json UDP-N-acetyl-D-galactosamine 4-sulfate|Udp-Ga1NAc-S|Udp-N-acetylgalactosamine 4-sulfate|Uridine diphosphate-N-acetylgalactosamine 4-sulfate http://purl.obolibrary.org/obo/CHEBI_132804 3_STAR
CHEBI:132814 biolink:ChemicalSubstance beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-D-Glcp An amino tetrasaccharide consisting of beta-D-galactose, N-acetyl-beta-D-galactosamine, beta-D-galactose and D-glucose residues in a linear (1->3), (1->4), (1->4) sequence. GlyGen:G00407UJ|GlyTouCan:G00407UJ|PMID:16406213 phenio.json Galbeta1-3GalNAcbeta1-4Galbeta1-4Glc|WURCS=2.0/3,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b4-c1_c3-d1|beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-D-Glc|beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose|beta-D-galactosyl-(1-3)-N-acetyl-beta-D-galactosaminyl-(1-4)-beta-D-galactosyl-(1-4)-D-glucose|beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-D-glucose http://purl.obolibrary.org/obo/CHEBI_132814 3_STAR
CHEBI:132818 biolink:ChemicalSubstance apigenin 7-O-beta-L-glucoside A glycosyloxyflavone that is apigenin substituted by a beta-L-glucopyranosyl moiety at position 7 via a glycosidic linkage. Pubchem:101339211|Reaxys:1359341 phenio.json 5,4'-dihydroxy-7-O-beta-L-glucopyranosyloxyflavone|5,4'-dihydroxy-7-O-beta-L-glucosyloxyflavone|5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl beta-L-glucopyranoside|7-O-beta-L-(beta-L-glucopyranosyl)apigenin|7-O-beta-L-(beta-L-glucosyl)apigenin|7-O-beta-L-glucosyl-5,7,4'-trihydroxyflavone http://purl.obolibrary.org/obo/CHEBI_132818 3_STAR
CHEBI:132823 biolink:ChemicalSubstance clionasterol A member of the class of phytosterols that is poriferast-5-ene carrying a beta-hydroxy substituent at position 3. CAS:83-47-6|HMDB:HMDB0000649|KNApSAcK:C00023769|LIPID_MAPS_instance:LMST01040122|PMID:22863942|PMID:24417147|PMID:24831420|PMID:26710827|PMID:27694009|Reaxys:2061922 phenio.json (24S)-stigmast-5-en-3beta-ol|(3beta,24S)-stigmast-5-en-3-ol|22,23-Dihydroporiferasterol|24-Ethylcholest-5-en-3 beta-ol|24S-ethylcholest-5-en-3beta-ol|24beta-ethyl-5-cholesten-3beta-ol|24beta-ethylcholesterol|beta-dihydrofucosterol|gamma-Sitosterol|gamma-sitosterol|poriferast-5-en-3beta-ol http://purl.obolibrary.org/obo/CHEBI_132823 3_STAR
CHEBI:132841 biolink:ChemicalSubstance clodinafop An aromatic ether that is (R)-lactic acid in which the hydroxy group at position 2 has been converted to the corresponding p-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenyl ether. It is the parent acid of the herbicide clodinafop-propargyl. AGR:IND43870723|AGR:IND44076496|CAS:114420-56-3|PMID:10557330|PMID:16047877|PMID:16977528|PMID:19290455|PMID:19594140|PMID:19756846|PMID:19784963|PMID:24121741|PMID:26065513|PPDB:1416|Pesticides:clodinafop|Reaxys:10562170 phenio.json (2R)-2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid|(2R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propanoic acid|(R)-2-[4-(5-chloro-3-fluoro-2-pyridyloxy)phenoxy]propionic acid|(R)-2-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]phenoxy}propionic acid http://purl.obolibrary.org/obo/CHEBI_132841 3_STAR
CHEBI:132842 biolink:ChemicalSubstance sulfapyridine A sulfonamide consisting of pyridine with a 4-aminobenzenesulfonamido group at the 2-position. CAS:144-83-2|DrugBank:DB00891|Drug_Central:2524|Gmelin:219135|HMDB:HMDB0015028|KEGG:D02434|LINCS:LSM-5531|PMID:11431418|PMID:17964793|PMID:6136612|PMID:6993682|PMID:7021831|Patent:GB512145|Patent:US2275354|Reaxys:222065|VSDB:1922|Wikipedia:Sulfapyridine phenio.json 2-(p-Aminobenzenesulphonamido)pyridine|2-Sulfanilamidopyridin|2-Sulfanilamidopyridine|2-Sulfanilylaminopyridine|2-Sulfapyridine|4-(2-Pyridinylsulfonyl)aniline|4-Amino-N,2-pyridinylbenzenesulfonamide|4-Amino-N-pyridin-2-yl-benzenesulfonamide|4-[(2-Pyridylamino)sulfonyl]aniline|4-amino-N-(pyridin-2-yl)benzenesulfonamide|N(1)-2-Pyridylsulfanilamide|N(1)-Pyridylsulfanilamide|N-2-Pyridylsulfanilamide|Solfapiridina|Sulphapyridine|sulfapiridina|sulfapyridine|sulfapyridinum http://purl.obolibrary.org/obo/CHEBI_132842 3_STAR
CHEBI:132853 biolink:ChemicalSubstance acteoside A glycoside that is the alpha-L-rhamnosyl-(1->3)-beta-D-glucoside of hydroxytyrosol in which the hydroxy group at position 4 of the glucopyranosyl moiety has undergone esterification by formal condensation with trans-caffeic acid. CAS:61276-17-3|HMDB:HMDB0034843|KEGG:C10501|KNApSAcK:C00002783|PMID:10432210|PMID:25628651|PMID:25900014|PMID:25900087|PMID:26427909|PMID:26453510|PMID:26700563|PMID:26827721|PMID:26856531|PMID:26981096|PMID:26990576|PMID:27096224|PMID:27125592|PMID:27191581|PMID:27223850|PMID:27326537|PMID:27428333|Reaxys:1278646|Wikipedia:Verbascoside phenio.json 2-(3,4-dihydroxyphenyl)ethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside|2-(3,4-dihydroxyphenyl)ethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside|kusaginin|verbascoside http://purl.obolibrary.org/obo/CHEBI_132853 3_STAR
CHEBI:132873 biolink:ChemicalSubstance meadowlactone A delta-lactone obtained by intramolecular condensation of the 5-hydroxy and carboxy groups of 5-hydroxyicosanoic acid. A nonenzymatic oxidation product of arachidonic acid. CAS:110071-67-5|PMID:15772423|PMID:17935296|Patent:US2007092465|Patent:US7615231|Reaxys:7639766 phenio.json 5-HETE 1,5-lactone|5-hydroxy-eicosatetraenoic acid 1,5-lactone|5-hydroxyicosatetraenoic acid 1,5-lactone|6-pentadecyloxan-2-one|Meadowfoam delta-lactone|delta-eicosalactone|delta-icosalactone http://purl.obolibrary.org/obo/CHEBI_132873 3_STAR
CHEBI:132875 biolink:ChemicalSubstance N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate An N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate in which the anomeric centre connected to the diphosphate group has alpha-configuration. KEGG:C04881|MetaCyc:ACETYL-ETCETERA-GLUCOSAMINYLDIPHOSPHOUND phenio.json 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-mannopyranosyl)-2-deoxy-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-alpha-D-glucopyranose|ManNAc-GlcNAc-PP-undecaprenol|N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132875 3_STAR
CHEBI:132876 biolink:ChemicalSubstance beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate A beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate in which the anomeric centre connected to the diphosphate group has alpha-configuration. KEGG:C04830|MetaCyc:BETA-D-GLUCOSYL-14-N-ACETYL-D-GLUCOSAMI phenio.json 2-acetamido-2-deoxy-4-O-beta-D-glucopyranosyl-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-alpha-D-glucopyranose|Glc-GlcNAc-PP-undecaprenol|beta-D-glucosyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132876 3_STAR
CHEBI:132877 biolink:ChemicalSubstance 4-O-[(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate A polyprenyl glycosyl diphosphate having eleven prenyl units and with 4-O-[(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosamine as the glycosyl fragment. MetaCyc:CPD-5802 phenio.json 2-acetamido-4-O-(2-acetamido-2-deoxy-4-O-{[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}-beta-D-glucopyranosyl)-2-deoxy-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-alpha-D-glucopyranose|4-O-[(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_132877 3_STAR
CHEBI:132889 biolink:ChemicalSubstance graphene oxide A single carbon layer of the graphite oxide structure. PMCID:PMC8540551|PMCID:PMC8582055|PMCID:PMC8585176|PMID:20023850|PMID:33668189|PMID:34270266|PMID:34327598|PMID:34371431|PMID:34443964|PMID:34668901 phenio.json GO http://purl.obolibrary.org/obo/CHEBI_132889 2_STAR
CHEBI:132893 biolink:ChemicalSubstance fangchinoline A bisbenzylisoquinoline alkaloid that is (1beta)- berbaman which has been substituted by methyl groups at the 2 and 2' positions, by methoxy groups at the 6, 6', and 12 positions, and by a hydroxy group at position 7. Isolated from Stephania tetrandra, it has been found to possess neuroprotective and anti-tumour activity. CAS:436-77-1|PMID:18161288|PMID:19428795|PMID:19764054|PMID:20030508|PMID:20208355|PMID:21418191|PMID:22130369|PMID:22720080|PMID:23112944|PMID:23401195|PMID:23452799|PMID:23596478|PMID:24568493|PMID:24856768|PMID:25539072|PMID:25645647|PMID:25754692|PMID:25872479|PMID:26408176|PMID:26512898|PMID:26893655|Reaxys:78975|Wikipedia:Fangchinoline phenio.json (+)-fangchinoline|(+)-limacine|(1beta)-2,2'-dimethyl-6,6',12-trimethoxyberbaman-7-ol|(1beta)-6,6',12-trimethoxy-2,2'-dimethylberbaman-7-ol|7-O-demethyltetrandrine http://purl.obolibrary.org/obo/CHEBI_132893 3_STAR
CHEBI:132908 biolink:ChemicalSubstance 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid A polyunsaturated fatty acid that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid substituted at positions 5 and 18 by hydroperoxy and hydroxy groups respectively (the 5S, 18R-stereoisomer). PMID:21206090|Reaxys:14535272 phenio.json (5S)-hydroperoxy-(18R)-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoic acid|(5S)-hydroperoxy-(18R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid|(5S,6E,8Z,11Z,14Z,16E,18R)-5-hydroperoxy-18-hydroxyicosa-6,8,11,14,16-pentaenoic acid|18(R)-hydroxy-5(S)-HpEPE|5(S)-Hp-18(R)-HEPE|5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_132908 3_STAR
CHEBI:132915 biolink:ChemicalSubstance (R,S,S,S)-nebivolol(1+) An organic cation obtained by protonation of the secondary amino function of (R,S,S,S)-nebivolol. phenio.json (2S)-2-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-N-{(2S)-2-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl}-2-hydroxyethan-1-aminium|(R,S,S,S)-nebivolol cation http://purl.obolibrary.org/obo/CHEBI_132915 3_STAR
CHEBI:132916 biolink:ChemicalSubstance (S,R,R,R)-nebivolol(1+) An organic cation obtained by protonation of the secondary amino function of (S,R,R,R)-nebivolol. phenio.json (2R)-2-[(2S)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-N-{(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl]-2-hydroxyethyl}-2-hydroxyethan-1-aminium|(S,R,R,R)-nebivolol cation http://purl.obolibrary.org/obo/CHEBI_132916 3_STAR
CHEBI:132917 biolink:ChemicalSubstance 2-isopropylmalate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of 2-isopropylmalic acid. phenio.json 2-isopropylmalate anion|2-isopropylmalic acid anion http://purl.obolibrary.org/obo/CHEBI_132917 3_STAR
CHEBI:132922 biolink:ChemicalSubstance ibuprofen(1-) A monocarboxylic acid anion that is the conjugate base of ibuprofen, obtained by deprotonation of the carboxy group; major species at pH 7.3. Reaxys:4784081 phenio.json 2-[4-(2-methylpropyl)phenyl]propanoate|ibuprofen|ibuprofen anion http://purl.obolibrary.org/obo/CHEBI_132922 3_STAR
CHEBI:132923 biolink:ChemicalSubstance salicylurate A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Reaxys:3673294 phenio.json (2-hydroxybenzamido)acetate|2-hydroxyhippurate|o-hydroxyhippurate|ortho-hydroxyhippurate|salicyloylglycinate|salicylylglycinate http://purl.obolibrary.org/obo/CHEBI_132923 3_STAR
CHEBI:132933 biolink:ChemicalSubstance intermediate-density lipoprotein A class of lipoproteins with a density between that of low-density and very-low-density lipoproteins. They are formed by the degradatiion of very-low-density lipoproteins. PMID:15698598|PMID:24353240|PMID:24680982|PMID:9133510|PMID:9740500|Wikipedia:Intermediate-density_lipoprotein phenio.json IDL|intermediate density lipoprotein|intermediate density lipoproteins|intermediate-density lipoproteins http://purl.obolibrary.org/obo/CHEBI_132933 3_STAR
CHEBI:132938 biolink:ChemicalSubstance ethylmalonate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of ethylmalonic acid. phenio.json ethylmalonate anion|ethylmalonic acid anion http://purl.obolibrary.org/obo/CHEBI_132938 3_STAR
CHEBI:132939 biolink:ChemicalSubstance ethylmalonate(2-) A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of ethylmalonic acid. Reaxys:3904851 phenio.json ethylpropanedioate http://purl.obolibrary.org/obo/CHEBI_132939 3_STAR
CHEBI:132940 biolink:ChemicalSubstance 1,3,7-trimethylurate An organic anion obtained by deprotonation of 1,3,7-trimethyluric acid. phenio.json 1,3,7-trimethylurate anion|1,3,7-trimethyluric acid anion http://purl.obolibrary.org/obo/CHEBI_132940 3_STAR
CHEBI:132941 biolink:ChemicalSubstance 2-hydroxyglutarate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of 2-hydroxyglutaric acid. phenio.json 2-hydroxyglutarate anion|2-hydroxyglutaric acid anion http://purl.obolibrary.org/obo/CHEBI_132941 3_STAR
CHEBI:132942 biolink:ChemicalSubstance quinolinate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of quinolinic acid. phenio.json quinolinate anion|quinolinic acid anion http://purl.obolibrary.org/obo/CHEBI_132942 3_STAR
CHEBI:132943 biolink:ChemicalSubstance aspartate phenio.json http://purl.obolibrary.org/obo/CHEBI_132943 1_STAR
CHEBI:132944 biolink:ChemicalSubstance octadec-9-enoate An octadecenoate in which the double bond is at C-9. phenio.json 9-octadecenoate|C18:1, n-9(1-)|Delta(9)-octadecenoate|octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_132944 3_STAR
CHEBI:132946 biolink:ChemicalSubstance (R)-2-hydroxyglutaryl-CoA(5-) A 2-hydroxyglutaryl-CoA(5-) that results from the removal of all five protons from the phosphate and carboxylic acid groups of (R)-2-hydroxyglutaryl-CoA; major species at pH 7.3. MetaCyc:2-HYDROXYGLUTARYL-COA phenio.json (R)-2-hydroxyglutaryl-CoA http://purl.obolibrary.org/obo/CHEBI_132946 3_STAR
CHEBI:132948 biolink:ChemicalSubstance pyridoxate A pyridinemonocarboxylate obtained by deprotonation of the carboxy group of any pyridoxic acid. phenio.json pyridoxate anion|pyridoxate anions|pyridoxates|pyridoxic acid anion|pyridoxic acid anions http://purl.obolibrary.org/obo/CHEBI_132948 3_STAR
CHEBI:132950 biolink:ChemicalSubstance tartrate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of any tartaric acid. phenio.json tartaric acid anion|tartaric acid anions|tartrate|tartrate anion|tartrate anions|tartrates http://purl.obolibrary.org/obo/CHEBI_132950 3_STAR
CHEBI:132951 biolink:ChemicalSubstance maleate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of maleic acid. phenio.json maleate anion|maleate anions|maleates|maleic acid anion|maleic acid anions http://purl.obolibrary.org/obo/CHEBI_132951 3_STAR
CHEBI:132952 biolink:ChemicalSubstance oxalate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of oxalic acid. phenio.json ethanedioic acid anion|ethanedioic acid anions|oxalate anion|oxalate anions|oxalates|oxalic acid anion|oxalic acid anions http://purl.obolibrary.org/obo/CHEBI_132952 3_STAR
CHEBI:132953 biolink:ChemicalSubstance suberate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of suberic acid. phenio.json octanedioic acid anion|octanedioic acid anions|suberate anion|suberate anions|suberates|suberic acid anion|suberic acid anions http://purl.obolibrary.org/obo/CHEBI_132953 3_STAR
CHEBI:132954 biolink:ChemicalSubstance sebacate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of sebacic acid. phenio.json decanedioic acid anion|decanedioic acid anions|sebacate anion|sebacate anions|sebacates|sebacic acid anion|sebacic acid anions http://purl.obolibrary.org/obo/CHEBI_132954 3_STAR
CHEBI:132955 biolink:ChemicalSubstance azelaate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of azelaic acid. phenio.json azelaate anion|azelaate anions|azelaates|azelaic acid anion|azelaic acid anions|nonanedioic acid anion|nonanedioic acid anions http://purl.obolibrary.org/obo/CHEBI_132955 3_STAR
CHEBI:132957 biolink:ChemicalSubstance N-acetylmethioninate A monocarboxylic acid anion that is the conjugate base of N-acetylmethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json 2-acetamido-4-(methylsulfanyl)butanoate|Ac-Met(1-)|N-Ac-Met(1-)|N-acetylmethionine(1-) http://purl.obolibrary.org/obo/CHEBI_132957 3_STAR
CHEBI:132958 biolink:ChemicalSubstance N-acetylmethionine A methionine derivative that is methionine in which one of the amine hydrogens is substituted by an acetyl group. CAS:1115-47-5|PMID:1157846|PMID:16129491|PMID:23626375|PMID:2738074|PMID:35357105|PMID:448454|PMID:9589603|Reaxys:1725554 phenio.json 2-acetamido-4-(methylsulfanyl)butanoic acid|2-acetylamino-4-methylsulfanyl-butyric acid|Ac-Met|N-Ac-Met|N-acetylmethionine http://purl.obolibrary.org/obo/CHEBI_132958 3_STAR
CHEBI:132960 biolink:ChemicalSubstance 3-phosphoglycerate An organic anion obtained by deprotonation of at least one of the acidic groups of 3-phosphoglyceric acid. phenio.json 2-hydroxy-3-(phosphonooxy)propanoic acid anion|2-hydroxy-3-(phosphonooxy)propanoic acid anions|3-phosphoglycerate anion|3-phosphoglycerate anions|3-phosphoglycerates|3-phosphoglyceric acid anion|3-phosphoglyceric acid anions http://purl.obolibrary.org/obo/CHEBI_132960 3_STAR
CHEBI:132961 biolink:ChemicalSubstance methylsuccinate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of 3-methylsuccinic acid. phenio.json 2-methylbutanedioic acid anion|2-methylbutanedioic acid anions|methylsuccinate anion|methylsuccinates|methylsuccinic acid anion|methylsuccinic acid anions http://purl.obolibrary.org/obo/CHEBI_132961 3_STAR
CHEBI:132962 biolink:ChemicalSubstance acetaminophen O-beta-D-glucosiduronate A beta-D-glucosiduronate that is the conjugate base of acetaminophen O-beta-D-glucosiduronic acid, obtained by deprotonation of the carboxy group. phenio.json 4-acetamidophenyl beta-D-glucopyranosiduronate|4-acetamidophenyl beta-D-glucosiduronate|4-acetamidophenyl beta-D-glucuronide(1-)|p-acetamidophenyl beta-D-glucopyranosiduronate|p-acetamidophenyl beta-D-glucosiduronate|p-acetamidophenyl beta-D-glucuronide(1-) http://purl.obolibrary.org/obo/CHEBI_132962 3_STAR
CHEBI:132966 biolink:ChemicalSubstance hippurates An N-acylglycinate obtained by deprotonation of the carboxy group of hippuric acid (N-benzoylglycine) and its derivatives. phenio.json N-benzoylglycinates|N-benzoylglycine anions http://purl.obolibrary.org/obo/CHEBI_132966 3_STAR
CHEBI:132970 biolink:ChemicalSubstance 5-ammoniolevulinic acid A primary ammonium ion obtained by protonation of the amino group of 5-aminolevulinic acid. phenio.json 4-carboxy-2-oxobutan-1-aminium|5-aminolevulinic acid cation|5-aminolevulinic acid(1+) http://purl.obolibrary.org/obo/CHEBI_132970 3_STAR
CHEBI:132972 biolink:ChemicalSubstance farnesoid X receptor agonist An agonist that binds to and activates farnesoid X receptors Wikipedia:Farnesoid_X_receptor phenio.json BAR agonist|BAR agonists|FXR agonist|FXR agonists|bile acid receptor agonist|bile acid receptor agonists|farnesoid X receptor agonists http://purl.obolibrary.org/obo/CHEBI_132972 3_STAR
CHEBI:132977 biolink:ChemicalSubstance 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-CoA(4-) A steroidal acyl-CoA(4-) oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-CoA; major species at pH 7.3. MetaCyc:3-OXO-DELTA4-CHOLYL-COA phenio.json 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-CoA|7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-coenzyme A(4-) http://purl.obolibrary.org/obo/CHEBI_132977 3_STAR
CHEBI:132978 biolink:ChemicalSubstance 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA(4-) A steroidal acyl-CoA(4-) oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA; major species at pH 7.3. MetaCyc:3-OXO-DELTA46-CHOLYL-COA phenio.json 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA|12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-coenzyme A(4-) http://purl.obolibrary.org/obo/CHEBI_132978 3_STAR
CHEBI:132986 biolink:ChemicalSubstance sapitinib A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3. CAS:848942-61-0|PMID:20145185|PMID:24554387|PMID:24875132|PMID:24886365|PMID:24900741|PMID:25007130|PMID:25149507|PMID:26095475|Reaxys:12223131 phenio.json 2-(4-{[4-(3-chloro-2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy}piperidin-1-yl)-N-methylacetamide|2-[4-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)piperidin-1-yl]-N-methylacetamide|AZD-8931|AZD8931|sapitinib|sapitinibum http://purl.obolibrary.org/obo/CHEBI_132986 3_STAR
CHEBI:132988 biolink:ChemicalSubstance bradykinin(2+) A peptide cation obtained by deprotonation of the carboxy group and protonation of the amino and guanidino groups of bradykinin; major species at pH 7.3. phenio.json 1-[(2S)-2-azaniumyl-5-carbamimidamidopentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-N-[(1S)-4-carbamimidamido-1-carboxylatobutyl]-L-phenylalaninamide|1-[(2S)-2-azaniumyl-5-{[azaniumyl(imino)methyl]amino}pentanoyl]-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-N-[(1S)-4-{[azaniumyl(imino)methyl]amino}-1-carboxylatobutyl]-L-phenylalaninamide|bradykinin http://purl.obolibrary.org/obo/CHEBI_132988 3_STAR
CHEBI:132989 biolink:ChemicalSubstance O-acetylhomoserine zwitterion An alpha-amino acid zwitterion that is O-acetylhomoserine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. phenio.json 4-(acetyloxy)-2-azaniumylbutanoate http://purl.obolibrary.org/obo/CHEBI_132989 3_STAR
CHEBI:132992 biolink:ChemicalSubstance radiosensitizing agent A drug that makes increases the sensitivity of tumour cells to radiation therapy. PMID:12520460|Wikipedia:Radiosensitizer phenio.json radiosensitiser|radiosensitisers|radiosensitising agent|radiosensitising agents|radiosensitizer|radiosensitizers|radiosensitizing agents http://purl.obolibrary.org/obo/CHEBI_132992 3_STAR
CHEBI:133000 biolink:ChemicalSubstance pregnenolone sulfate(1-) A steroid sulfate oxoanion that is the conjugate base of pregnenolone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. Reaxys:7195695 phenio.json (3beta)-20-oxopregn-5-en-3-yl sulfate|20-oxopregn-5-en-3beta-yl sulfate|pregnenolone sulfate http://purl.obolibrary.org/obo/CHEBI_133000 3_STAR
CHEBI:133004 biolink:ChemicalSubstance bisbenzylisoquinoline alkaloid A type of benzylisoquinoline alkaloid whose structures are built up of two benzylisoquinoline units linked by ether bridges. Various structural patterns resulting from additional bridging between the two units by direct carbon-carbon bridging or by methylenedioxy groups are common. PMID:1955879|PMID:2191354|PMID:3323421 phenio.json bis(benzylisoquinoline) alkaloid|bis(benzylisoquinoline) alkaloids|bis-benzylisoquinoline alkaloid|bis-benzylisoquinoline alkaloids|bisbenzylisoquinoline alkaloids http://purl.obolibrary.org/obo/CHEBI_133004 3_STAR
CHEBI:133011 biolink:ChemicalSubstance oxytetracycline zwitterion A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the adjacent tertiary amino group of oxytetracycline; major species at pH 7.3. MetaCyc:CPD-19255 phenio.json (1S,4aS,11S,11aR,12S,12aR)-3-carbamoyl-1-(dimethylazaniumyl)-4a,5,7,11,12-pentahydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate|oxytetracycline http://purl.obolibrary.org/obo/CHEBI_133011 3_STAR
CHEBI:133013 biolink:ChemicalSubstance brivaracetam A non-proteinogenic amino acid derivative that is butanamide in which the pro-S hydrogen at position 2 is replaced by a (4R)-2-oxo-4-propylpyrrolidin-1-yl. Used for treatment of partial onset seizures related to epilepsy. CAS:357336-20-0|Drug_Central:5068|KEGG:D08879|PMID:26515103|PMID:26664121|PMID:26666500|PMID:26719676|PMID:26740317|PMID:26760311|PMID:26891946|PMID:26899665|PMID:26920914|PMID:26944275|PMID:27002062|PMID:27146213|PMID:27192732|PMID:27217762|PMID:27221208|PMID:27236448|PMID:27252986|PMID:27265725|PMID:27274002|PMID:27335114|PMID:27346728|PMID:27389600|PMID:27403785|PMID:27450143|PMID:27503181|Reaxys:9629290|Wikipedia:Brivaracetam phenio.json (2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanamide|2-(2-Oxo-4-propylpyrrolidin-1-yl)butanamide|Briviact|UCB 34714|UCB34714|brivaracetam http://purl.obolibrary.org/obo/CHEBI_133013 3_STAR
CHEBI:133015 biolink:ChemicalSubstance alpha-D-Xyl-(1->3)-beta-D-GlcA-(1->3)-alpha-D-Xyl-(1->3)-beta-D-GlcA A tetrasaccharide consisting of alternating D-glucuronic acid and D-xylosyl residues joined in sequence by (1->3)-linkages. A repeating unit in glycoprotein DAG1 phenio.json Xylalpha1-3GlcAbeta1-3Xylalpha1-3GlcAbeta|alpha-D-Xylp-(1->3)-beta-D-GlcpA-(1->3)-alpha-D-Xylp-(1->3)-beta-D-GlcpA|alpha-D-xylopyranosyl-(1->3)-beta-D-glucopyranuronosyl-(1->3)-alpha-D-xylopyranosyl-(1->3)-beta-D-glucopyranuronic acid|alpha-D-xylosyl-(1->3)-beta-D-glucuronosyl-(1->3)-alpha-D-xylosyl-(1->3)-beta-D-glucuronic acid|alpha-Xyl-(1->3)-beta-GlcA-(1->3)-alpha-Xyl-(1->3)-beta-GlcA http://purl.obolibrary.org/obo/CHEBI_133015 3_STAR
CHEBI:133016 biolink:ChemicalSubstance 5-hydroxytryptamine 2A receptor inverse agonist An inverse agonist that binds to the same receptor as a 5-hydroxytryptamine 2A receptor agonist, but which induces a pharmacological response opposite to that agonist. Wikipedia:5-HT2A_receptor phenio.json 5-hydroxytryptamine (2A) receptor inverse agonist|5-hydroxytryptamine (2A) receptor inverse agonists|5-hydroxytryptamine 2A receptor inverse agonists|5HT(2A) inverse agonist|5HT(2A) inverse agonists|5HT2A inverse agonists|5HT2Ainverse agonist http://purl.obolibrary.org/obo/CHEBI_133016 3_STAR
CHEBI:133017 biolink:ChemicalSubstance pimavanserin A member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease. CAS:706779-91-1|Drug_Central:5142|PMID:16469866|PMID:19040345|PMID:19864614|PMID:19907417|PMID:21256805|PMID:21921840|PMID:22750845|PMID:22954754|PMID:23969614|PMID:24016069|PMID:24183563|PMID:24183566|PMID:24247322|PMID:24292660|PMID:24682754|PMID:25655720|PMID:26744739|PMID:26908168|PMID:27242287|PMID:27245248|PMID:27249096|PMID:27261226|PMID:27262680|PMID:27503570|Patent:CA2652300|Reaxys:10386699|Wikipedia:Pimavanserin phenio.json N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide|N-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-N'-{[4-(2-methylpropoxy)phenyl]methyl}urea|pimavanserin http://purl.obolibrary.org/obo/CHEBI_133017 3_STAR
CHEBI:133018 biolink:ChemicalSubstance diterpene triepoxide A diterpenoid compound that contains three epoxide groups. Patent:US2002068098 phenio.json diterpene triepoxides http://purl.obolibrary.org/obo/CHEBI_133018 3_STAR
CHEBI:133020 biolink:ChemicalSubstance pimavanserin(1+) A piperidinium ion obtained by protonation of the piperidine nitrogen of pimavanserin. phenio.json 4-{[(4-fluorophenyl)methyl]({[4-(2-methylpropoxy)phenyl]methyl}carbamoyl)amino}-1-methylpiperidin-1-ium|pimavanserin cation http://purl.obolibrary.org/obo/CHEBI_133020 3_STAR
CHEBI:133021 biolink:ChemicalSubstance venetoclax A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion. CAS:1257044-40-8|Drug_Central:5133|KEGG:D10679|PMID:24794804|PMID:25185206|PMID:25658896|PMID:25768998|PMID:25829398|PMID:25882699|PMID:25957396|PMID:26110568|PMID:26467384|PMID:26493374|PMID:26516589|PMID:26565405|PMID:26589495|PMID:26711339|PMID:26927160|PMID:26967820|PMID:27030982|PMID:27056887|PMID:27092880|PMID:27095788|PMID:27103402|PMID:27166183|PMID:27283158|PMID:27466751|PMID:27480872|Reaxys:20908256|Wikipedia:Venetoclax phenio.json 4-{4-[(4'-chloro-5,5-dimethyl[3,4,5,6-tetrahydro[1,1'-biphenyl]]-2-yl)methyl]piperazin-1-yl}-N-(3-nitro-4-{[(oxan-4-yl)methyl]amino}benzene-1-sulfonyl)-2-[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]benzamide|ABT 199|ABT-199|ABT199|GDC 0199|Venclexta|venetoclax http://purl.obolibrary.org/obo/CHEBI_133021 3_STAR
CHEBI:133022 biolink:ChemicalSubstance B-cell lymphoma 2 inhibitor Any inhibitor of B-cell lymphoma 2 protein. Wikipedia:Bcl-2 phenio.json B-cell lymphoma 2 inhibitors|Bcl-2 inhibitor|Bcl-2 inhibitors http://purl.obolibrary.org/obo/CHEBI_133022 3_STAR
CHEBI:133050 biolink:ChemicalSubstance N-tetradecanoylglycyl group A univalent carboacyl group derived from N-tetradecanoylglycine. phenio.json N-myristoylglycyl group|N-terminal N-tetradecanoylglycyl residue http://purl.obolibrary.org/obo/CHEBI_133050 3_STAR
CHEBI:133066 biolink:ChemicalSubstance S-(5-acetamido-2-hydroxyphenyl)cysteine A cysteine derivative in which the thiol hydrogen of cysteine is replaced by a 5-acetamido-2-hydroxyphenyl group. PMID:1992763|PMID:2200409|PMID:2385841|PMID:2913271 phenio.json 3-(cystein-S-yl)acetaminophen|3-(cystein-S-yl)paracetamol|S-(5-acetamido-2-hydroxyphenyl)cysteine|acetaminophen cysteine conjugate|cysteine S-acetaminophen conjugate|cysteine S-paracetamol conjugate|paracetamol cysteine conjugate http://purl.obolibrary.org/obo/CHEBI_133066 3_STAR
CHEBI:133067 biolink:ChemicalSubstance S-(5-acetamido-2-hydroxyphenyl)cysteine zwitterion An alpha-amino acid zwitterion that is S-(5-acetamido-2-hydroxyphenyl)cysteine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. phenio.json 3-(cystein-S-yl)acetaminophen zwitterion|3-(cystein-S-yl)paracetamol zwitterion|3-[(5-acetamido-2-hydroxyphenyl)sulfanyl]-2-azaniumylpropanoate|acetaminophen cysteine conjugate zwitterion|cysteine S-acetaminophen conjugate zwitterion|cysteine S-paracetamol conjugate zwitterion|paracetamol cysteine conjugate zwitterion http://purl.obolibrary.org/obo/CHEBI_133067 3_STAR
CHEBI:133092 biolink:ChemicalSubstance gamma-Glu-Abu A dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of 2-aminobutyric acid. Reaxys:25853400 phenio.json N-(1-carboxypropyl)glutamine|gamma-glutamyl-2-aminobutyric acid http://purl.obolibrary.org/obo/CHEBI_133092 3_STAR
CHEBI:133093 biolink:ChemicalSubstance gamma-Glu-Abu(1-) A peptide anion that is the conjugate base of gamma-Glu-Abu, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3. phenio.json 2-azaniumyl-5-[(1-carboxylatopropyl)amino]-5-oxopentanoate|gamma-glutamyl-2-aminobutyrate http://purl.obolibrary.org/obo/CHEBI_133093 3_STAR
CHEBI:133118 biolink:ChemicalSubstance 5alpha-pregnane-3beta,20alpha-diol disulfate anion A steroid sulfate oxoanion obtained by deprotonation of at least one of the sulfo groups of 5alpha-pregnan-3beta,20alpha-diol disulfate phenio.json 5alpha-pregnan-3beta,20alpha-diol disulfate http://purl.obolibrary.org/obo/CHEBI_133118 3_STAR
CHEBI:133119 biolink:ChemicalSubstance 5alpha-pregnane-3beta,20alpha-diol disulfate A steroid sulfate that is 5alpha-pregnane-3beta,20alpha-diol in which both hydroxy hydrogens have been replaced by sulfo groups. CAS:27935-53-1 phenio.json (20S)-5alpha-pregnane-3beta,20-diyl bis(hydrogen sulfate)|(3beta,5alpha,20S)-pregnane-3,20-diyl bis(hydrogen sulfate)|Pregnane-3,20-diol 3,20-disulfate http://purl.obolibrary.org/obo/CHEBI_133119 3_STAR
CHEBI:133121 biolink:ChemicalSubstance 5alpha-pregnane-3beta,20alpha-diol disulfate(2-) A 5alpha-pregnane-3beta,20alpha-diol disulfate anion obtained by deprotonation of both sulfo groups of 5alpha-pregnane-3beta,20alpha-diol disulfate. phenio.json (20S)-5alpha-pregnane-3beta,20-diyl disulfate|(3beta,5alpha,20S)-pregnane-3,20-diyl disulfate http://purl.obolibrary.org/obo/CHEBI_133121 3_STAR
CHEBI:133131 biolink:ChemicalSubstance spiro-epoxide An oxaspiro compound in which a carbon atom of an epoxide ring is the only common member of two rings. phenio.json spiro-epoxides|spiroepoxide|spiroepoxides http://purl.obolibrary.org/obo/CHEBI_133131 3_STAR
CHEBI:133134 biolink:ChemicalSubstance prostaglandin H3(1-) A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin H3, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S,,5Z)-3-hydroxyocta-1,5-dien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoate|(5Z,9S,11R,13E,15S,17Z)-15-hydroxy-9,11-epidioxyprosta-5,13,17-trienoate|prostaglandin H3 http://purl.obolibrary.org/obo/CHEBI_133134 3_STAR
CHEBI:133135 biolink:ChemicalSubstance chromenochromene Any organic heteroolycyclic compound whose skeleton two ortho-fused chromene rings, and their derivatives. phenio.json chromenochromenes http://purl.obolibrary.org/obo/CHEBI_133135 3_STAR
CHEBI:133202 biolink:ChemicalSubstance (ADP-D-ribosyl)(n)-acceptor A generic representative substrate in the ADP ribosylation of proteins phenio.json http://purl.obolibrary.org/obo/CHEBI_133202 2_STAR
CHEBI:133203 biolink:ChemicalSubstance (ADP-D-ribosyl)(n+1)-acceptor A generic representative product of ADP ribosylation of proteins phenio.json http://purl.obolibrary.org/obo/CHEBI_133203 2_STAR
CHEBI:133220 biolink:ChemicalSubstance tuberonic acid An oxo monocarboxylic acid that is (+)-7-isojasmonic acid in which one of the hydrogens of the side-chain methyl group is replaced by a hydroxy group. CAS:124649-26-9|Chemspider:4947920|KNApSAcK:C00000221|LIPID_MAPS_instance:LMFA02020007|Reaxys:11073168 phenio.json (+)-12-hydroxy-7-isojasmonic acid|(1R,2S)-3-oxo-2-(5'-hydroxy-2'Z-pentenyl)-cyclopentaneacetic acid|12-hydroxy-epi-jasmonic acid|{(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetic acid http://purl.obolibrary.org/obo/CHEBI_133220 3_STAR
CHEBI:133241 biolink:ChemicalSubstance omega-carboxyacyl-CoA(5-) An acyl-CoA oxoanion obtained by deprotonation of the phosphate, diphosphate and carboxy groups of any omega-carboxyacyl-CoA; major species at pH 7.3. phenio.json omega-dicarboxyl-CoA http://purl.obolibrary.org/obo/CHEBI_133241 3_STAR
CHEBI:133243 biolink:ChemicalSubstance O-[S-(long-chain fatty acyl)pantetheine-4'-phosphoryl]serine(1-) residue An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is derived from a long-chain fatty acid. phenio.json O-(S-[long-chain fatty acyl]pantetheine-4'-phosphoryl)serine residue http://purl.obolibrary.org/obo/CHEBI_133243 2_STAR
CHEBI:133246 biolink:ChemicalSubstance tetramethylpyrazine A member of the class of pyrazines that is pyrazine in which all four hydrogens have been replaced by methyl groups. An alkaloid extracted from Chuanxiong (Ligusticum wallichii). CAS:1124-11-4|HMDB:HMDB0036584|MetaCyc:CPD-15901|PMID:11583735|PMID:18790005|PMID:21456940|PMID:23253813|PMID:23563941|PMID:2413290|PMID:24333010|PMID:25841319|PMID:26275042|PMID:26404762|PMID:27179035|PMID:27389185|PMID:27391608|PMID:27431939|PMID:27607420|PMID:27610159|PMID:27717875|Reaxys:113100|Wikipedia:Tetramethylpyrazine phenio.json 2,3,5,6,-tetramethyl-1,4-pyrazine|2,3,5,6-tetramethylpyrazine|FEMA 3237|FEMA No. 3237|TMP|liqustrazine|tetramethylpyrazine http://purl.obolibrary.org/obo/CHEBI_133246 3_STAR
CHEBI:133249 biolink:ChemicalSubstance saturated fatty aldehyde A fatty aldehyde in which there is no carbon-carbon unsaturation. PMID:14564727|PMID:17805609|PMID:4531008 phenio.json a saturated fatty aldehyde|saturated fatty aldehydes http://purl.obolibrary.org/obo/CHEBI_133249 3_STAR
CHEBI:133251 biolink:ChemicalSubstance 3-hydroxydicarboxylate(2-) A dicarboxylic acid dianion that results from the removal of a proton from both of the carboxylic acid groups of any 3-hydroxydicarboxylic acid. phenio.json 3-hydroxydicarboxylic acid dianion(2-)|a 3-hydroxy dicarboxylic acid http://purl.obolibrary.org/obo/CHEBI_133251 3_STAR
CHEBI:133291 biolink:ChemicalSubstance saturated dicarboxylic acid dianion(2-) A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid that contains no carbon-carbon double bonds. phenio.json a saturated dicarboxylic acid|saturated dicarboxylate(2-) http://purl.obolibrary.org/obo/CHEBI_133291 3_STAR
CHEBI:133292 biolink:ChemicalSubstance 3-oxo fatty acid anion An oxo fatty acid anion obtained by deprotonation of the carboxy group of any 3-oxo fatty acid. phenio.json 3-keto fatty acid anion|3-keto fatty acid anions|a 3-oxo fatty acid http://purl.obolibrary.org/obo/CHEBI_133292 3_STAR
CHEBI:133294 biolink:ChemicalSubstance oxo dicarboxylic acid dianion A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of any oxo dicarboxylic acid. phenio.json oxo dicarboxylic acid dianions http://purl.obolibrary.org/obo/CHEBI_133294 3_STAR
CHEBI:133309 biolink:ChemicalSubstance 12-dehydro-leukotriene B4(1-) An icosanoid anion that is the conjugate base of 12-dehydro-leukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoate|12-dehydroleukotriene B4(1-)|12-oxo-leukotriene B4|5(S)-hydroxy-12-oxo-(6Z,8E,10E,14Z)-eicosatetraenoate http://purl.obolibrary.org/obo/CHEBI_133309 3_STAR
CHEBI:13332 biolink:ChemicalSubstance GDP-beta-L-fucose A GDP-L-fucose in which the anomeric oxygen is on the same side of the fucose ring as the methyl substituent. CAS:15839-70-0|KEGG:C00325|PDBeChem:GFB|PMID:10424902|PMID:10988249|PMID:11502265|PMID:21966509|PMID:22588082|PMID:27434622|PMID:28334865|PMID:28530709|PMID:8495447|Reaxys:75468 phenio.json GDP-beta-L-fucose|guanosine 5'-[3-(6-deoxy-beta-L-galactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_13332 3_STAR
CHEBI:133326 biolink:ChemicalSubstance barium sulfate A metal sulfate with formula BaO4S. Virtually insoluble in water at room temperature, it is mostly used as a component in oil well drilling fluid it occurs naturally as the mineral barite. CAS:7727-43-7|KEGG:D02052|PMID:22831859|PMID:25710096|PMID:26903568|Reaxys:11343139|Wikipedia:Barium_sulfate phenio.json BaSO4|Baritop|Barosperse|Barotrast|E-Z-Paque|Enamel White|EneCat|EneMark|EntroBar|Esophotrast|Liquipake|Macropaque|Micropaque|Microtrast|Pigment White 22|Radiobaryt|Radiopaque|Readi-CAT|barite|barium sulfate|blanc fixe|sulfuric acid, barium salt (1:1) http://purl.obolibrary.org/obo/CHEBI_133326 3_STAR
CHEBI:133334 biolink:ChemicalSubstance small nucleolar RNA A group of non-coding RNAs that primarily accumulate in the nucleoli and consist of 60-300 nucleotides. They are responsible for the post-transcriptional modification and maturation of ribosomal RNAs (rRNAs), small nuclear RNAs (snRNAs), and other cellular RNAs. There are two main classes of snoRNA, the C/D box snoRNAs, which are associated with methylation, and the H/ACA box snoRNAs, which are associated with pseudouridylation. PMID:31338327|PMID:31780925|PMID:31828325|PMID:32312483|PMID:32393576|PMID:32599901|PMID:33104528|PMID:33288886|PMID:33315200|PMID:33400969|PMID:33501699|PMID:33561224|PMID:33894626|PMID:33938625|PMID:34088344|PMID:34228845|Wikipedia:Small_nucleolar_RNA phenio.json small nucleolar RNAs|snoRNA|snoRNAs http://purl.obolibrary.org/obo/CHEBI_133334 3_STAR
CHEBI:133353 biolink:ChemicalSubstance montmorillonite An aluminosilicate mineral consisting of aluminosilicate layers approximately 1 nm thick which are surface-substituted with metal cations and stacked in ca. 10 mum-sized multilayer stacks. Its approximate formula is R(+)0.33(Al,Mg)2Si4O10(OH)2.nH2O where R(+) includes one or more of the cations Na(+), K(+), Mg(2+), and Ca(2+). AGR:IND43816870|CAS:1318-93-0|PMID:14576428|PMID:17767730|PMID:17874771|PMID:24453833|Reaxys:11403277|Reaxys:16080915|Wikipedia:Montmorillonite phenio.json montmorillonite clay http://purl.obolibrary.org/obo/CHEBI_133353 3_STAR
CHEBI:133354 biolink:ChemicalSubstance bentonite An aluminosilicate mineral consisting mostly of montmorillonite. The different types of bentonite (aluminium bentonite; calcium bentonite; potassium bentonite; sodium bentonite) are named after their dominant element. CAS:1302-78-9|Reaxys:8194168|Wikipedia:Bentonite phenio.json http://purl.obolibrary.org/obo/CHEBI_133354 3_STAR
CHEBI:133367 biolink:ChemicalSubstance resolvin D2(1-) A polyunsaturated fatty acid anion that is the conjugate base of resolvin D2, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,7S,8E,10Z,12E,14E,16R,17S,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoate|(7S,16R,17S)-trihydroxy-(4Z,8E,10Z,12E,14E,19Z)-docosahexaenoate|resolvin D2 http://purl.obolibrary.org/obo/CHEBI_133367 3_STAR
CHEBI:133368 biolink:ChemicalSubstance resolvin E2(1-) A polyunsaturated fatty acid anion that is the conjugate base of resolvin E2, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (5S,18R)-dihydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoate|(5S,6E,8Z,11Z,14Z,16E,18R)-5,18-dihydroxyicosa-6,8,11,14,16-pentaenoate|resolvin E2 http://purl.obolibrary.org/obo/CHEBI_133368 3_STAR
CHEBI:133370 biolink:ChemicalSubstance prostaglandin A2(1-) A prostaglandin carboxylic acid anion resulting from the removal of the proton from the carboxy group of prostaglandin A2. phenio.json (5E)-7-{2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-5-oxocyclopent-3-en-1-yl}hept-5-enoate|(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,10,13-trien-1-oate|PGA2|prostaglandin 2|prostaglandin A2 http://purl.obolibrary.org/obo/CHEBI_133370 3_STAR
CHEBI:133374 biolink:ChemicalSubstance 13,14-dihydro-15-keto-PGF2alpha(1-) A prostaglandin carboxylic acid anion that is the conjugate base of 13,14-dihydro-15-keto-PGF2alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:17449869 phenio.json (5Z,9alpha,11alpha)-9,11-dihydroxy-15-oxoprost-5-en-1-oate|13,14-dihydro-15-ketoprostaglandin F2alpha(1-)|13,14-dihydro-15-oxo-PGF2alpha http://purl.obolibrary.org/obo/CHEBI_133374 3_STAR
CHEBI:133391 biolink:ChemicalSubstance prostaglandin B2(1-) A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B2, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oate|PGB2|Prostaglandin B2|prostaglandin B2 http://purl.obolibrary.org/obo/CHEBI_133391 3_STAR
CHEBI:133392 biolink:ChemicalSubstance prostaglandin C2(1-) A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin C2, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,11,13-trien-1-oate|PGC2|Prostaglandin C2|prostaglandin C2 http://purl.obolibrary.org/obo/CHEBI_133392 3_STAR
CHEBI:133396 biolink:ChemicalSubstance prostaglandin J2(1-) A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin J2, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oate|PGJ2|Prostaglandin J2|prostaglandin J2 http://purl.obolibrary.org/obo/CHEBI_133396 3_STAR
CHEBI:133409 biolink:ChemicalSubstance 15-oxoprostaglandin F2alpha(1-) A prostaglandin carboxylic acid anion that is the conjugate base of 15-oxoprostaglandin F2alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:17449869 phenio.json 15-oxo-PGF2alpha(1-)|15-oxoprostaglandin F2alpha http://purl.obolibrary.org/obo/CHEBI_133409 3_STAR
CHEBI:133414 biolink:ChemicalSubstance N-acetyl-L-methionyl residue An N-acetylamino-acid residue derived from N-acetyl-L-methionine. phenio.json Ac-Met residue|N-acetylmethionyl residue|N-terminal N(alpha)-acetyl-L-methionine residue http://purl.obolibrary.org/obo/CHEBI_133414 3_STAR
CHEBI:133424 biolink:ChemicalSubstance 13,14-dihydro-Delta(12)-prostaglandin J2(1-) A prostaglandin carboxylic acid anion that is the conjugate base of 13,14-dihydro-Delta(12)-prostaglandin J2, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (5Z,12E,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oate|13,14-dihydro-Delta(12)-PGJ2(1-)|Delta(12)-prostaglandin J2 http://purl.obolibrary.org/obo/CHEBI_133424 3_STAR
CHEBI:133427 biolink:ChemicalSubstance omega-ammonioaldehyde An ammonio aldehyde that is an aliphatic aldehyde in which one of the hydrogens of the terminal methyl group has been replaced by an ammonio group. NH3(+)CH2(CH2)nCHO, where n = 0, 1, 2, etc. phenio.json an omega-aminoaldehyde http://purl.obolibrary.org/obo/CHEBI_133427 3_STAR
CHEBI:133435 biolink:ChemicalSubstance S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine An S-substituted N-acetyl-L-cysteine in which the S-substitutuent is specified as 5-acetamido-2-hydroxyphenyl. CAS:52372-86-8|PMID:1440617|PMID:2087153|PMID:6833497|PMID:7705777|Reaxys:8395991 phenio.json 3-(N-acetyl-L-cystein-S-yl)acetaminophen|Acetaminophen mercapturate|N-Acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine|N-acetyl-L-cysteine S-acetaminophen conjugate|N-acetyl-L-cysteine S-paracetamol conjugate|S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine|acetaminophen N-acetyl-L-cysteine conjugate|acetaminophen mercapturic acid|paracetamol N-acetyl-L-cysteine conjugate http://purl.obolibrary.org/obo/CHEBI_133435 3_STAR
CHEBI:133438 biolink:ChemicalSubstance S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate An S-substituted N-acetyl-L-cysteine that is the conjugate base of S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (2R)-2-acetamido-3-[(5-acetamido-2-hydroxyphenyl)sulfanyl]propanoate|3-(N-acetyl-L-cystein-S-yl)acetaminophen(1-)|N-acetyl-L-cysteinate S-acetaminophen conjugate|N-acetyl-L-cysteinate S-paracetamol conjugate|N-acetyl-S-(5-(acetylamino)-2-hydroxyphenyl)-L-cysteine|S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate|S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine(1-)|acetaminophen N-acetyl-L-cysteinate conjugate|acetaminophen mercapturate|paracetamol N-acetyl-L-cysteinate conjugate http://purl.obolibrary.org/obo/CHEBI_133438 3_STAR
CHEBI:133442 biolink:ChemicalSubstance (5R)-5-hydroxy-L-lysine(1+) residue An amino-acid cation residue obtained by protonation of the side-chain amino group of (5R)-5-hydroxy-L-lysine residue residue; major species at pH 7.3. MetaCyc:PROCOLLAGEN-5-HYDROXY-L-LYSINE phenio.json (5R)-5-hydroxy-L-lysine residue|L-erythro-5-hydroxy-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_133442 3_STAR
CHEBI:133443 biolink:ChemicalSubstance (5R)-5-(beta-D-galactosyloxy)-L-lysine(1+) residue An alpha-amino-acid cation residue obtained by protonation of the side-chain amino group of (5R)-5-(beta-D-galactosyloxy)-L-lysine residue; major species at pH 7.3. MetaCyc:PROCOLLAGEN-5-GALACTOSYLOXY-L-LYSINE phenio.json (5R)-5-O-(beta-D-galactosyl)-5-hydroxy-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_133443 3_STAR
CHEBI:133445 biolink:ChemicalSubstance saturated fatty acyl-L-carnitine An O-acylcarnitine in which the R is a saturated fatty acyl chain. phenio.json a saturated fatty acyl-L-carnitine http://purl.obolibrary.org/obo/CHEBI_133445 3_STAR
CHEBI:133446 biolink:ChemicalSubstance monounsaturated fatty acyl-L-carnitine An O-acylcarnitine in which the R is a monounsaturated fatty acyl chain. phenio.json a monounsaturated fatty acyl-L-carnitine http://purl.obolibrary.org/obo/CHEBI_133446 3_STAR
CHEBI:133447 biolink:ChemicalSubstance methyl-branched fatty acyl-L-carnitine An O-acylcarnitine in which the R group is a methyl-branched fatty acyl chain. phenio.json a methyl-branched fatty acyl-L-carnitine http://purl.obolibrary.org/obo/CHEBI_133447 3_STAR
CHEBI:133451 biolink:ChemicalSubstance 6-oxoprostaglandin F1alpha(1-) A prostaglandin carboxylic acid anion that is the conjugate base of 6-oxoprostaglandin F1alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json 6-oxo-PGF1alpha(1-)|6-oxo-prostaglandin F1alpha(1-) http://purl.obolibrary.org/obo/CHEBI_133451 3_STAR
CHEBI:133452 biolink:ChemicalSubstance (5R)-5-[(alpha-D-glucosyl-(1->2)-beta-D-galactosyl)oxy]-L-lysine(1+) residue An alpha-amino-acid cation residue obtained by protonation of the side-chain amino group of (5R)-5-[(alpha-D-glucosyl-(1->2)-beta-D-galactosyl)oxy]-L-lysine residue; major species at pH 7.3. MetaCyc:12-D-GLUCOSYL-5-D-GALACTOSYLOXY-L-LYS phenio.json (5R)-5-O-[alpha-D-glucosyl-(1->2)-beta-D-galactosyl]-5-hydroxy-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_133452 3_STAR
CHEBI:13346 biolink:ChemicalSubstance Glu-tRNA(Glx) phenio.json Glu-tRNA(Glx)|L-glutamyl-tRNA(Glx) http://purl.obolibrary.org/obo/CHEBI_13346 3_STAR
CHEBI:133470 biolink:ChemicalSubstance beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminide Any glycoside derived from beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosamine. MetaCyc:beta-Gal-13-alpha-GalNac-R phenio.json a beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl derivative|beta-D-Gal-(1->3)-alpha-D-GalNAc-OR http://purl.obolibrary.org/obo/CHEBI_133470 3_STAR
CHEBI:133476 biolink:ChemicalSubstance hydantoin-5-propionate A monocarboxylic acid anion that is the conjugate base of hydantoin-5-propionic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json 3-(2,5-dioxoimidazolidin-4-yl)propanoate|hydantoin-5-propanoate http://purl.obolibrary.org/obo/CHEBI_133476 3_STAR
CHEBI:133479 biolink:ChemicalSubstance S-(long-chain fatty acyl)-L-cysteine residue An L-alpha-amino acid residue derived from any S-(long-chain fatty acyl)-L-cysteine. MetaCyc:LuxE-long-chain-fatty-acyl-L-cysteine phenio.json S-(long-chain fatty acyl)-L-cysteine residue http://purl.obolibrary.org/obo/CHEBI_133479 3_STAR
CHEBI:133492 biolink:ChemicalSubstance polyunsaturated dicarboxylic acid dianion A dicarboxylic acid dianion having 2 or more units of unsaturation. phenio.json a polyunsaturated dicarboxylic fatty acid|polyunsaturated dicarboxylic acid dianions|polyunsaturated dicarboxylic acid(2-) http://purl.obolibrary.org/obo/CHEBI_133492 3_STAR
CHEBI:133493 biolink:ChemicalSubstance omega-(methylthio)-2-oxocarboxylate A 2-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of any omega-(methylthio)-2-oxocarboxylic acid; major species at pH 7.3. MetaCyc:CPD-19485|PMID:14740211|PMID:17369439 phenio.json an omega-(methylsulfanyl)-2-oxoalkanoate http://purl.obolibrary.org/obo/CHEBI_133493 3_STAR
CHEBI:133494 biolink:ChemicalSubstance 2-(omega-methylthio)alkylmalate(2-) A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of any 2-(omega-methylthio)alkylmalic acid; major species at pH 7.3. MetaCyc:CPD-19482|PMID:14740211|PMID:17369439 phenio.json a 2-omega-(methylsulfanyl)alkylmalate http://purl.obolibrary.org/obo/CHEBI_133494 3_STAR
CHEBI:133506 biolink:ChemicalSubstance beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminide Any glycoside derived from beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosamine MetaCyc:beta-Gal-13-beta-GlcNac-R phenio.json a beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl derivative|beta-D-Gal-(1->3)-beta-D-GlcNAc-OR http://purl.obolibrary.org/obo/CHEBI_133506 3_STAR
CHEBI:133507 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide Any glycoside derived from beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine KEGG:C04657|MetaCyc:B-Gal-14-NacGlc-R|PMID:2118655|PMID:804484 phenio.json a beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl derivative|beta-D-Gal-(1->4)-beta-D-GlcNAc-OR http://purl.obolibrary.org/obo/CHEBI_133507 3_STAR
CHEBI:133509 biolink:ChemicalSubstance alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminide Any glycoside derived from alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosamine MetaCyc:Type-1-H-Antigen phenio.json alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-OR|an alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc derivative http://purl.obolibrary.org/obo/CHEBI_133509 3_STAR
CHEBI:133511 biolink:ChemicalSubstance 3-hydroxyoctanoate A 3-hydroxy fatty acid anion that is the conjugate base of 3-hydroxyoctanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json 3-hydroxycaprylate|3-hydroxyoctanoate|beta-hydroxycaprylate|beta-hydroxyoctanoate http://purl.obolibrary.org/obo/CHEBI_133511 3_STAR
CHEBI:133513 biolink:ChemicalSubstance 3-methylglutaconate anion A dicarboxylic anion obtained by deprotonation of at least one of the carboxy groups of 3-methylglutaconic acid. phenio.json 3-methylglutaconate anions http://purl.obolibrary.org/obo/CHEBI_133513 3_STAR
CHEBI:133518 biolink:ChemicalSubstance (E)-3-methylglutaconate anion A 3-methylglutaconate anion obtained by deprotonation of at least one of the carboxyl groups of (E)-3-methylglutaconic acid. phenio.json (E)-3-methylglutaconate anions|(E)-beta-methylglutaconate anion|(E)-beta-methylglutaconate anions http://purl.obolibrary.org/obo/CHEBI_133518 3_STAR
CHEBI:133520 biolink:ChemicalSubstance N-acetyl-L-alaninate A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3. Reaxys:4131390 phenio.json (2S)-2-acetamidopropanoate|N-acetylalaninate http://purl.obolibrary.org/obo/CHEBI_133520 3_STAR
CHEBI:133524 biolink:ChemicalSubstance dopamine 3-O-sulfate zwitterion A zwitterion obtained by transfer of a proton from the sulfonyl to the amino group of dopamine 3-O-sulfate; major species at pH 7.3. phenio.json 5-(2-azaniumylethyl)-2-hydroxyphenyl sulfate|dopamine 3-O-sulfate|dopamine 3-monosulfate zwitterion|dopamine 3-sulfate zwitterion http://purl.obolibrary.org/obo/CHEBI_133524 3_STAR
CHEBI:133526 biolink:ChemicalSubstance oxodocosahexaenoate An oxo fatty acid anion obtained by deproitonation of any oxo-DoHE; major species at pH 7.3. phenio.json ketodocosahexaenoate|oxo-DoHE(1-)|oxodocosahexaenoates http://purl.obolibrary.org/obo/CHEBI_133526 3_STAR
CHEBI:133538 biolink:ChemicalSubstance L-lysine zwitterion An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-lysine; major species at pH 7.3. phenio.json (2S)-6-amino-2-azaniumylhexanoate|L-lysine|Lys|lysine zwitterion http://purl.obolibrary.org/obo/CHEBI_133538 3_STAR
CHEBI:133539 biolink:ChemicalSubstance hydroxyicosatrienoate A hydroxy polyunsaturated fatty acid anion consisting of icosatrieonate anion carrying one or more hydroxy substituents. phenio.json hydroxy-eicosatrienoate|hydroxyeicosatrienoate http://purl.obolibrary.org/obo/CHEBI_133539 3_STAR
CHEBI:133558 biolink:ChemicalSubstance hydroperoxyoctadecatrienoate An octadecanoid anion that is octadecatrienoate containing a hydroperoxy substituent attached to its carbon chain. phenio.json HPOTrE(1-)|hydroperoxyoctadecatrienoates http://purl.obolibrary.org/obo/CHEBI_133558 3_STAR
CHEBI:133564 biolink:ChemicalSubstance D-glucosyl salicylate A benzoate ester resulting from the formal condensation of the carboxy group of salicylic acid with the anomeric hydroxy group of D-glucose. phenio.json 1-O-(2-hydroxybenzoyl)-D-glucopyranose|1-O-(2-hydroxybenzoyl)-D-glucose|1-O-salicyl-D-glucose|salicylate-D-glucose ester http://purl.obolibrary.org/obo/CHEBI_133564 3_STAR
CHEBI:133574 biolink:ChemicalSubstance 5-hydroxylysinium An alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the two amino groups of 5-hydroxylysine. phenio.json 2,6-bis(azaniumyl)-5-hydroxyhexanoate|2,6-bis[(azaniumyl)]-2,3,4,6-tetradeoxyhexonate|5-hydroxylysine|5-hydroxylysine cation|5-hydroxylysine(1+) http://purl.obolibrary.org/obo/CHEBI_133574 3_STAR
CHEBI:133575 biolink:ChemicalSubstance N-acyl-gamma-aminobutyrate A monocarboxylic acid anion that is the conjugate base of N-acyl-gamma-aminobutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json N-acyl-4-aminobutanoate|N-acyl-4-aminobutyrate|N-acyl-gamma-aminobutanoate http://purl.obolibrary.org/obo/CHEBI_133575 3_STAR
CHEBI:133580 biolink:ChemicalSubstance N-hexanoylglycinate A monocarboxylic acid anion that is the conjugate base of N-hexanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (hexanoylamino)acetate|N-caproylglycinate|N-hexanoylglycine|N-hexanoylglycine anion|N-hexanoylglycine(1-) http://purl.obolibrary.org/obo/CHEBI_133580 3_STAR
CHEBI:133598 biolink:ChemicalSubstance chlortetracycline(1-) An organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.). MetaCyc:CPD-19258 phenio.json (5S,5aS,6aS,7S,10aS)-9-carbamoyl-4-chloro-7-(dimethylazaniumyl)-5,10a,11-trihydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate)|7-chlorotetracycline http://purl.obolibrary.org/obo/CHEBI_133598 3_STAR
CHEBI:133602 biolink:ChemicalSubstance carbon black nanoparticle Any form of carbon black which has a particle size of less than 100 nm in each dimension. PMCID:PMC3190904|PMID:21525001|PMID:22753103|PMID:24078381|PMID:24283474|PMID:25056782|PMID:25071917|PMID:25184212|PMID:25451823|PMID:25833640|PMID:25966413|PMID:26066782|PMID:26551751|PMID:26914170|PMID:27460290|PMID:27534448 phenio.json carbon black nanoparticles http://purl.obolibrary.org/obo/CHEBI_133602 3_STAR
CHEBI:133608 biolink:ChemicalSubstance 1-methylhistidine zwitterion An alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 1-methylhistidine; major species at pH 7.3. phenio.json 2-azaniumyl-3-(1-methyl-1H-imidazol-4-yl)propanoate http://purl.obolibrary.org/obo/CHEBI_133608 3_STAR
CHEBI:133609 biolink:ChemicalSubstance 3-methylhistidine zwitterion An alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-methylhistidine; major species at pH 7.3. phenio.json 2-azaniumyl-3-(1-methyl-1H-imidazol-5-yl)propanoate http://purl.obolibrary.org/obo/CHEBI_133609 3_STAR
CHEBI:133610 biolink:ChemicalSubstance N-isobutyrylglycinate A monocarboxylic acid anion that is the conjugate base of N-isobutyrylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. HMDB:HMDB0000730 phenio.json (2-methylpropanamido)acetate|N-(2-methylpropanoyl)glycinate|N-isobutanoylglycinate|isobutanoylglycinate|isobutyrylglycinate http://purl.obolibrary.org/obo/CHEBI_133610 3_STAR
CHEBI:133648 biolink:ChemicalSubstance S-allylcysteine zwitterion An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-allylcysteine. Major species at pH 7.3. phenio.json (2R)-2-azaniumyl-3-[(prop-2-en-1-yl)sulfanyl]propanoate|Cys(All) zwitterion|L-deoxyalliin zwitterion|S-2-propenyl-L-cysteine|S-allyl-L-cysteine zwitterion http://purl.obolibrary.org/obo/CHEBI_133648 3_STAR
CHEBI:133649 biolink:ChemicalSubstance 1-(1Z-hexadecenyl)-2-linoleoyl-sn-glycero-3-phosphoethanolamine zwitterion A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkenyl and acyl groups are specified as (1Z)-hexadecenyl and linoleoyl respectively. phenio.json 1-(1-enyl-palmitoyl)-2-linoleoyl-GPE|1-(1-enyl-palmitoyl)-2-linoleoyl-GPE (P-16:0/18:2)|1-(1Z-hexadecenyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine zwitterion|1-[(1Z)-hexadecenyl]-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phosphoethanolamine zwitterion|2-azaniumylethyl (2R)-3-{[(1Z)-hexadec-1-en-1-yl]oxy}-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl phosphate|GPE(P-16:0/18:2) http://purl.obolibrary.org/obo/CHEBI_133649 3_STAR
CHEBI:133653 biolink:ChemicalSubstance hydroperoxy(hydroxy)icosapentaenoate An icosanoid anion that is any icosapentaenoate bearing hydroxy and hydroperoxy substituents. An oxidation product of icosapentaenoic acid metabolism. phenio.json hydroperoxy(hydroxy)eicosapentaenoate http://purl.obolibrary.org/obo/CHEBI_133653 3_STAR
CHEBI:133654 biolink:ChemicalSubstance hydroxydocosapentaenoate A docosanoid anion that is any docosapentaenoate carrying a hydroxy substituent on its carbon chain. phenio.json http://purl.obolibrary.org/obo/CHEBI_133654 3_STAR
CHEBI:133667 biolink:ChemicalSubstance glycitein 4'-O-glucuronide A glycosyloxyisoflavone that is the glucuronide-conjugated form of the phytoestrogen glycitein. HMDB:HMDB0041740 phenio.json 4-(7-hydroxy-6-methoxy-4-oxo-4H-1-benzopyran-3-yl)phenyl beta-D-glucopyranosiduronic acid|glycitein 4'-O-beta-D-glucuronide|glycitein 4'-O-beta-glucuronide http://purl.obolibrary.org/obo/CHEBI_133667 3_STAR
CHEBI:133673 biolink:ChemicalSubstance glyphosate(1-) An organophosphate oxoanion obtained by the deprotonation of the carboxy and one of the phosphate OH groups as well as protonation of the amino group of glyphosate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). phenio.json glyphosate http://purl.obolibrary.org/obo/CHEBI_133673 3_STAR
CHEBI:133677 biolink:ChemicalSubstance hexadecanoylcholine An acylcholine obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of choline. CAS:13100-90-8|Reaxys:1801641 phenio.json 2-(hexadecanoyloxy)-N,N,N-trimethylethan-1-aminium|O-hexadecanoylcholine|O-palmitoylcholine|choline hexadecanoate|choline palmitate|palmitoylcholine http://purl.obolibrary.org/obo/CHEBI_133677 3_STAR
CHEBI:133686 biolink:ChemicalSubstance 5-bromotryptophan A non-proteinogenic alpha-amino acid that is tryptophan in which the hydrogen at position 5 on the indole ring is replaced by a bromo group. CAS:6548-09-0|Reaxys:5280904 phenio.json 2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid|5-bromotryptophan http://purl.obolibrary.org/obo/CHEBI_133686 3_STAR
CHEBI:133688 biolink:ChemicalSubstance 5-bromotryptophan zwitterion An alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 5-bromotryptophan; major species at pH 7.3. phenio.json 2-azaniumyl-3-(5-bromo-1H-indol-3-yl)propanoate http://purl.obolibrary.org/obo/CHEBI_133688 3_STAR
CHEBI:133719 biolink:ChemicalSubstance hydroxyoctanoate A hydroxy fatty acid anion that is octanoate (caprylate) substituted by a hydroxy group at any position. phenio.json hydroxycaprylate|hydroxycaprylates|hydroxyoctanoates http://purl.obolibrary.org/obo/CHEBI_133719 3_STAR
CHEBI:133720 biolink:ChemicalSubstance glycochenodeoxycholic acid sulfate anion An organic anion obtained by deprotonation of at least one of the acidic functions of glycochenodeoxycholic acid sulfate. phenio.json glycochenodeoxycholic acid sulfate anions http://purl.obolibrary.org/obo/CHEBI_133720 3_STAR
CHEBI:133721 biolink:ChemicalSubstance rhamnacene A dimethoxyflavone that is quercetin in which the hydroxy groups at the 3' and 7 positions have been replaced by methoxy groups. CAS:552-54-5|PMID:11594002|PMID:25704088|PMID:27025066|PMID:35723317|Reaxys:338203|Wikipedia:Rhamnazin phenio.json 3',7-dimethylquercetin|3,5,4'-trihydroxy-7,3'-dimethoxyflavone|3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4H-chromen-4-one|rhamnazin http://purl.obolibrary.org/obo/CHEBI_133721 3_STAR
CHEBI:133737 biolink:ChemicalSubstance phenio.json http://purl.obolibrary.org/obo/CHEBI_133737
CHEBI:133741 biolink:ChemicalSubstance (E)-dodec-2-enal A trans-2,3-unsaturated fatty aldehyde that is (E)-dodec-2-ene in which the allylic methyl group has been oxidised to the corresponding aldehyde. AGR:IND44119408|AGR:IND500604868|AGR:IND600802502|CAS:20407-84-5|HMDB:HMDB0031020|PMID:14194100|PMID:15012807|PMID:15161192|PMID:15612802|PMID:21062639|PMID:24139239|PMID:24243612|PMID:25619643|PMID:25870012|PMID:26667677|PMID:6483572|Patent:EP0282940 phenio.json (2E)-dodec-2-enal|(2E)-dodecenal|(E)-2-dodecen-1-al|(E)-dodec-2-en-1-al|eryngial|trans-2-dodecenal|trans-dodec-2-enal http://purl.obolibrary.org/obo/CHEBI_133741 3_STAR
CHEBI:133744 biolink:ChemicalSubstance homovanillate A hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid. phenio.json (4-hydroxy-3-methoxyphenyl)acetate|3-methoxy-4-hydroxyphenylacetate http://purl.obolibrary.org/obo/CHEBI_133744 3_STAR
CHEBI:133748 biolink:ChemicalSubstance citrate anion A tricarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of citric acid. phenio.json citrate|citrate anions http://purl.obolibrary.org/obo/CHEBI_133748 3_STAR
CHEBI:133750 biolink:ChemicalSubstance Cutin-1 A phosphonium ylide that is 2-(triphenylphosphoranylidene)acetamide in which the nitrogen has been converted to the corresponding carbamoyl derivative. By targeting the beta-subunit of fatty acid synthase, it inhibits nuclear envelope expansion and nuclear elongation during the closed mitosis of fission yeast. CAS:53296-08-5|PMID:26869222|Reaxys:2765280 phenio.json 2-(triphenyl-lambda(5)-phosphanylidene)acetamide|N-carbamoyl-2-(triphenylphosphoranylidene)acetamide|triphenylphosphonium(carbamoylcarbamoyl)methylylid|ureidocarbomethylentriphenylphosphoniumylid http://purl.obolibrary.org/obo/CHEBI_133750 3_STAR
CHEBI:133752 biolink:ChemicalSubstance epsilon-(gamma-glutamyl)lysine dizwitterion An L-alpha-amino acid zwitterion that is the dizwitterionic form of epsilon-(gamma-glutamyl)lysine obtained by migration of protons from both carboxy groups to the amino groups; major species at pH 7.3. phenio.json (2S)-2-azaniumyl-6-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}hexanoate|L-gamma-glutamyl-L-epsilon-lysine dizwitterion|epsilon-(L-gamma-glutamyl)-L-lysine dizwitterion|epsilon-(gamma-L-glutamyl)-L-lysine|gamma-Glu-epsilon-Lys dizwitterion|gamma-glutamyl-epsilon-lysine dizwitterion http://purl.obolibrary.org/obo/CHEBI_133752 3_STAR
CHEBI:133773 biolink:ChemicalSubstance pimelate A tricarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of pimelic acid. phenio.json heptanedioic acid anion|heptanedioic acid anions|pimelates|pimelic acid anion|pimelic acid anions http://purl.obolibrary.org/obo/CHEBI_133773 3_STAR
CHEBI:133775 biolink:ChemicalSubstance dimethylargininium(1+) An alpha-amino-acid cation obtained by protonation of any dimethylarginine. phenio.json dimethylarginine cation|dimethylarginine(1+) http://purl.obolibrary.org/obo/CHEBI_133775 3_STAR
CHEBI:133790 biolink:ChemicalSubstance linolenate A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid. phenio.json linolenates http://purl.obolibrary.org/obo/CHEBI_133790 3_STAR
CHEBI:133792 biolink:ChemicalSubstance erythronate A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy group of any erythronic acid; major species at pH 7.3. phenio.json erythronate anion|erythronate anions|erythronates http://purl.obolibrary.org/obo/CHEBI_133792 3_STAR
CHEBI:133795 biolink:ChemicalSubstance (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate A hydroperoxydocosahexaenoate that is the conjugate base of (17S)-HPDoHE, obtained by deprotonation of the carboxy group; major species at pH 7.3. MetaCyc:CPD66-80|PMID:19324874 phenio.json (17S)-HPDHA(1-)|(17S)-HPDoHE(1-)|(17S)-hydroperoxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoate|(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoate|(4Z,7Z,10Z,13Z,15E,17S,19Z)-hydroperoxydocosahexaenoate http://purl.obolibrary.org/obo/CHEBI_133795 3_STAR
CHEBI:133797 biolink:ChemicalSubstance (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoate A hydroperoxydocosapentaenoate that is the conjugate base of 17-HPDoPE, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:19324874 phenio.json (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosa-7,10,13,15,19-pentaenoate|(7Z,10Z,13Z,15E,19Z)-hydroperoxydocosahexaenoate|17-HPDPA(n-3)(1-)|17-HPDoPE(n-3)(1-)|17-hydroperoxy-(7Z,10Z,13Z,15E,19Z)-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_133797 3_STAR
CHEBI:133798 biolink:ChemicalSubstance (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoate A hydroperoxydocosapentaenoate that is the conjugate base of (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:19324874 phenio.json (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosa-7,10,12,16,19-pentaenoate|14-HPDPA(n-3)(1-)|14-HPDoPE(1-)|14-HPDoPE(n-3)(1-)|14-hydroperoxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_133798 3_STAR
CHEBI:133809 biolink:ChemicalSubstance anisindione A cyclic beta-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position. Beilstein:1880681|CAS:117-37-3|DrugBank:DB01125|Drug_Central:222|KEGG:D07457|Patent:US2899358|Wikipedia:Anisindione phenio.json 2-(4-Methoxyphenyl)-1H-indene-1,3(2H)-dione|2-(4-Methoxyphenyl)indan-1,3-dione|2-(4-methoxyphenyl)-1H-indene-1,3(2H)-dione|2-(p-Methoxyphenyl)-1,3-indandione|2-(p-Methoxyphenyl)indane-1,3-dione|2-p-Anisyl-1,3-indandione|2-para-Anisyl-1,3-indandione|Anisin indandione|anisindiona|anisindione|anisindionum http://purl.obolibrary.org/obo/CHEBI_133809 3_STAR
CHEBI:133817 biolink:ChemicalSubstance doxorubicinol A member of the class of tetracenequinones that is the major metabolite of the anthracycline doxorubicin, a chemotherapeutic agent effective against a broad range of malignant neoplasms. It is thought to exhibit cardiotoxic properties. CAS:54193-28-1|HMDB:HMDB0041884|PMID:10408701|PMID:11448472|PMID:12647011|PMID:16168722|PMID:1628370|PMID:16614166|PMID:16915573|PMID:16958789|PMID:17197005|PMID:17379584|PMID:18371724|PMID:18967867|PMID:19174209|PMID:23192654|PMID:23337906|PMID:24631816|PMID:25446851|PMID:27447545|PMID:2897122|PMID:8298821|PMID:8595168|PMID:9261889|PMID:9696578|PMID:9888978|Reaxys:6773847 phenio.json (1S,3S)-3-[(1S)-1,2-dihydroxyethyl]-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside|13-dihydrodoxorubicin|Antibiotic 27706RP|DOXOL|adriamycinol http://purl.obolibrary.org/obo/CHEBI_133817 3_STAR
CHEBI:133819 biolink:ChemicalSubstance 13-HODE(1-) A HODE(1-) that is the conjugate base of 13-HODE, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:11192938 phenio.json (9Z,11E)-13-hydroxyoctadeca-9,11-dienoate|(9Z,11E)-13-hydroxyoctadecadienoate|13-hydroxy-(9Z,11E)-octadecadienoate http://purl.obolibrary.org/obo/CHEBI_133819 3_STAR
CHEBI:133820 biolink:ChemicalSubstance 9-HODE(1-) A HODE(1-) that is the conjugate base of 9-HODE, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:11192938 phenio.json (10E,12Z)-9-hydroxyoctadeca-10,12-dienoate|(10E,12Z)-9-hydroxyoctadecadienoate|9-hydroxy-(10E,12Z)-octadecadienoate http://purl.obolibrary.org/obo/CHEBI_133820 3_STAR
CHEBI:133833 biolink:ChemicalSubstance benznidazole A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2-nitroimidazol-1-yl)acetic acid with the aromatic amino group of benzylamine. Used for treatment of Chagas disease. CAS:22994-85-0|Drug_Central:322|KEGG:D02489|PMID:26760092|PMID:26760093|PMID:26760094|PMID:26760095|PMID:26974551|PMID:26982179|PMID:27001816|PMID:27067322|PMID:27158908|PMID:27161638|PMID:27223650|PMID:27246447|PMID:27376278|PMID:27487264|PMID:27488437|PMID:27550362|PMID:27619190|PMID:27688600|Reaxys:551486|Wikipedia:Benznidazole phenio.json 2-Nitro-N-(phenylmethyl)-1H-imidazole-1-acetamide|N-Benzyl-2-nitroimidazol-1-yl-acetamide|N-Benzyl-2-nitroimidazole-1-acetamide|N-benzyl-2-(2-nitro-1H-imidazol-1-yl)acetamide|benznidazol|benznidazole|benznidazolum http://purl.obolibrary.org/obo/CHEBI_133833 3_STAR
CHEBI:133867 biolink:ChemicalSubstance 4-O-[di(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate(4-) An organophosphate oxoanion obtained by deprotonation of the phosphate and diphosphate functions of 4-O-[di(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate; major species at pH 7.3. MetaCyc:CPD-19301|PMID:21035733|PMID:24024634 phenio.json 2-acetamido-4-O-(2-acetamido-2-deoxy-4-O-{[(2R)-3-({[(2R)-2,3-dihydroxypropoxy]phosphinato}oxy)-2-hydroxypropoxy]phosphinato}-beta-D-mannopyranosyl)-2-deoxy-1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-alpha-D-glucopyranose|4-O-[di(2R)-glycerylphospho]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_133867 3_STAR
CHEBI:133872 biolink:ChemicalSubstance (2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid An oxodicarboxylic acid that is a tautomer of 4-maleylacetoacetic acid in which the carbonyl of the alpha,beta-unsaturated ketone moiety has tautomerised to the corresponding enol (the 2Z,4E isomer). phenio.json (2Z,4E)-4-hydroxy-6-oxo-2,4-octadienedioic acid|(2Z,4E)-4-hydroxy-6-oxoocta-2,4-dienedioic acid http://purl.obolibrary.org/obo/CHEBI_133872 3_STAR
CHEBI:133886 biolink:ChemicalSubstance FMNH2(3-) A organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as position N1 of FMNH2. PMID:8422349 phenio.json 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-1-id-10(5H)-yl)-5-O-phosphonato-D-ribitol http://purl.obolibrary.org/obo/CHEBI_133886 3_STAR
CHEBI:13389 biolink:ChemicalSubstance NAD Abbreviation for nicotinamide-adenine dinucleotide when its oxidation state is unknown or unspecified. It is used in metabolic pathways like glycolysis and citric acid cycle. HMDB:HMDB0000902|Wikipedia:Nicotinamide_adenine_dinucleotide phenio.json nicotinamide-adenine dinucleotide http://purl.obolibrary.org/obo/CHEBI_13389 3_STAR
CHEBI:133894 biolink:ChemicalSubstance 4-O-[poly(1-D-ribitylphosphonato)-1-D-ribitylphosphonato-(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion An organophosphate oxoanion obtained by global deprotonation of the phosphate and diphosphate functions of 4-O-[poly(1-D-ribitylphosphonato)-1-D-ribitylphosphonato-(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate. MetaCyc:CPD-19308|PMID:21035733 phenio.json 4-O-[poly(D-ribitylphospho)-D-ribitylphospho-(2R)-glycerylphospho]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_133894 3_STAR
CHEBI:133896 biolink:ChemicalSubstance 4-O-({poly[1-D-ribitylphosphonato]}-di{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion An organophosphate oxoanion obtained by global deprotonation of the phosphate and diphosphate functions of 4-O-({poly[1-D-ribitylphosphonato]}-di{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate MetaCyc:CPD-19303|PMID:18215769|PMID:18556787|PMID:21035733 phenio.json 4-O-({poly[1-D-ribitylphospho]}-di{[2R]-glycerylphospho})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_133896 3_STAR
CHEBI:13390 biolink:ChemicalSubstance NAD(P)(+) A coenzyme that may be NAD(+) or NADP(+). phenio.json http://purl.obolibrary.org/obo/CHEBI_13390 3_STAR
CHEBI:133901 biolink:ChemicalSubstance 3-aminobutyryl-CoA(3-) An acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino group of 3-aminobutyryl-CoA; major species at pH 7.3. PMID:21826218 phenio.json 3-aminobutanoyl-CoA|3-aminobutanoyl-coenzyme A(3-)|3-aminobutyryl-coenzyme A(3-) http://purl.obolibrary.org/obo/CHEBI_133901 3_STAR
CHEBI:133907 biolink:ChemicalSubstance hypothiocyanous acid A sulfur oxoacid that is sulfenic acid in which the hydrogen attached to the sulfur has been replaced by a cyano group. CAS:63296-34-4|Chemspider:111270|HMDB:HMDB0012974|PMID:19705807|PMID:19821602|PMID:22031955|PMID:22053976|PMID:23088652|PMID:23540488|PMID:24112082|PMID:24120969|PMID:24632382|PMID:24657078|PMID:24928513|PMID:25172223|PMID:25309750|PMID:25393952|PMID:25795019|PMID:26453918|PMID:26608498|PMID:26616646|PMID:26898502|PMID:27013775|PMID:27343172|PMID:27350402|PMID:27629563|PMID:27864363|Pubchem:124985|Reaxys:2958668 phenio.json (hydroxysulfanyl)formonitrile|Hypothiocyanite|cyanosulfoxylic acid|hypocyanous acid|hypothiocyanous acid|nitrilomethane-SO-thioperoxol http://purl.obolibrary.org/obo/CHEBI_133907 3_STAR
CHEBI:133911 biolink:ChemicalSubstance alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) An alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5161 phenio.json alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-mannopyranosyl-(1->3)-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl dihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_133911 3_STAR
CHEBI:133912 biolink:ChemicalSubstance alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) An alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5162 phenio.json alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-amino-2-deoxy-alpha-D-glucopyranosyl dolichyl dihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_133912 3_STAR
CHEBI:133917 biolink:ChemicalSubstance ochratoxin alpha A member of the class of isocoumarins that is 1-oxo-3,4-dihydro-2-benzopyran-7-carboxylic acid carrying additional methyl, chloro and hydroxy substituents at positions 3, 5 and 8 respectively. A non-toxic metabolite of the mycotoxin ochratoxin A. CAS:19165-63-0|PMID:10398513|PMID:10441032|PMID:20031488|PMID:21443919|PMID:23041474|PMID:26861395|PMID:27597255|PMID:27924714|PMID:27959549|PMID:28119679|PMID:6341224|Reaxys:6125765 phenio.json (-)-ochratoxin alpha|(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carboxylic acid|(R)-(-)-ochratoxin alpha|(R)-ochratoxin alpha|Ochratoxin alpha|alpha-Ochratoxin|alpha-ochratoxin http://purl.obolibrary.org/obo/CHEBI_133917 3_STAR
CHEBI:13392 biolink:ChemicalSubstance NAD(P)H A coenzyme that may be NADH or NADPH. phenio.json http://purl.obolibrary.org/obo/CHEBI_13392 3_STAR
CHEBI:133930 biolink:ChemicalSubstance 5alpha-androst-1-ene-3,17-dione A 3-oxo Delta(1)-steroid that is androst-1-ene substituted by oxo groups at positions 3 and 17. CAS:571-40-4|PMID:17123559|PMID:21310167|PMID:22350385|PMID:23090723|PMID:25797375|PMID:8655514|Reaxys:3085323 phenio.json 1-Androstenedione|5alpha-androst-1-ene-3,17-dione|Delta(1)-androstene-3,17-dione|delta1-5alpha-Androstene-3,17-dione http://purl.obolibrary.org/obo/CHEBI_133930 3_STAR
CHEBI:133932 biolink:ChemicalSubstance (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate A docosanoid anion that is the conjugate base of (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:16112640 phenio.json (4Z,7Z,10Z,13Z)-15-{3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,13-tetraenoate|16,17-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_133932 3_STAR
CHEBI:133940 biolink:ChemicalSubstance lithocholate sulfate(2-) A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of lithocholic acid sulfate; major species at pH 7.3. PMID:17425406 phenio.json (3alpha,5beta)-3-(sulfonatooxy)cholan-24-oate|3alpha-(sulfonatooxy)-5beta-cholan-24-oate|lithocholate 3-sulfate(2-)|lithocholate sulfate|sulfolithocholate(2-) http://purl.obolibrary.org/obo/CHEBI_133940 3_STAR
CHEBI:133959 biolink:ChemicalSubstance 4'-methoxyisoflavones Any methoxyisoflavone which has a methoxy group at the 4-position of the phenyl substituent. phenio.json a 4'-methoxyisoflavone http://purl.obolibrary.org/obo/CHEBI_133959 3_STAR
CHEBI:133967 biolink:ChemicalSubstance aflatoxin B1 dialdehyde(1-) A phenolate anion that is the conjugate base of aflatoxin B1 dialdehyde, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). phenio.json 6-(3-hydroxy-1,4-dioxobutan-2-yl)-9-methoxy-3,4-dioxo-1,4-dihydro-3H-furo[3,4-C][1]benzopyran-7-olate http://purl.obolibrary.org/obo/CHEBI_133967 3_STAR
CHEBI:133969 biolink:ChemicalSubstance 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-purine-ribonucleotide)(2-) residue A 7-methyl guanosine (m7G) linked via an inverted 5'-5' triphosphate bridge to an initiating 2'-O-methyl-purine-ribonucleotide MetaCyc:m7G5-pppRm-mRNAs phenio.json a 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-purine-ribonucleoside) residue http://purl.obolibrary.org/obo/CHEBI_133969 3_STAR
CHEBI:133970 biolink:ChemicalSubstance N-retinylidene-N-retinylphosphatidylethanolamine betaine An iminium betaine obtained by deprotonation of the phosphate group of any N-retinylidene-N-retinylphosphatidylethanolamine. phenio.json N-retinylidene-N-retinylphosphatidylethanolamine http://purl.obolibrary.org/obo/CHEBI_133970 3_STAR
CHEBI:133972 biolink:ChemicalSubstance primary nitroalkane A nitroalkane in which the nitro group is attached to a terminal carbon. Major microspecies at pH 7.3. MetaCyc:Nitroalkanes|PMID:1710166|PMID:26506056|PMID:7762004 phenio.json a primary nitroalkane http://purl.obolibrary.org/obo/CHEBI_133972 3_STAR
CHEBI:133975 biolink:ChemicalSubstance Delta(6)-trans-12-epi-leukotriene B4(1-) A leukotriene anion that is the conjugate base of Delta(6)-trans-12-epi-leukotriene B4, obtained by deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:8394361 phenio.json (5S,12S)-dihydroxy-(6E,10E,12E,14Z)-eicosatetraenoate|(5S,12S)-dihydroxy-(6E,10E,12E,14Z)-icosapentaenoate|(5S,6E,10E,12E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate|(5S,6E,10E,12E,12S,14Z)-5,12-dihydroxyicosatetraenoate|12-epi-6-trans-LTB4(1-)|12-epi-6-trans-leukotriene B4(1-) http://purl.obolibrary.org/obo/CHEBI_133975 3_STAR
CHEBI:133977 biolink:ChemicalSubstance S-(2,4-dinitrophenyl)glutathione(1-) An S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the glutamyl amino group of S-(2,4-dinitrophenyl)glutathione. Major microspecies at pH 7.3. MetaCyc:S-24-DINITROPHENYLGLUTATHIONE phenio.json (2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(2,4-dinitrophenyl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate|2,4-dinitrophenyl-S-glutathione|DNP-SG|S-(2,4-dinitrophenyl)glutathionate http://purl.obolibrary.org/obo/CHEBI_133977 3_STAR
CHEBI:133980 biolink:ChemicalSubstance oxidised coenzyme F420-(gamma-Glu)n polyanion A polyanionic polymer derived from oxidised coenzyme F420-(gamma-Glu)n. Major microspecies at pH 7.3 phenio.json coenzyme F420-(gamma-Glu)n|oxidized coenzyme F420-(gamma-Glu)n polyanion http://purl.obolibrary.org/obo/CHEBI_133980 3_STAR
CHEBI:133985 biolink:ChemicalSubstance 13(R)-HPODE(1-) A 13-HPODE(1-) that is the conjugate base of 13(R)-HPODE, obtained by deprotonation of the carboxylic acid function. Major microspecies at pH 7.3. phenio.json (13R)-hydroperoxy-(9Z,11E)-octadecadienoate|(9Z,11E,13R)-13-hydroperoxyoctadeca-9,11-dienoate|(9Z,11E,13R)-13-hydroperoxyoctadecadienoate http://purl.obolibrary.org/obo/CHEBI_133985 3_STAR
CHEBI:133986 biolink:ChemicalSubstance (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid A hydroperoxyoctadecatrienoic acid, obtained by the formal substitution of a hydrogen at position 13 of (9Z,11E,15Z)-octadeca-9,11,15-trienoic acid by a hydroperoxy group (the 13R-stereoisomer). PMID:21167311|Reaxys:6864314 phenio.json (13R)-HPOTrE|(13R)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoic acid|(9Z,11E,13R,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid|13(R)-HPOTrE http://purl.obolibrary.org/obo/CHEBI_133986 3_STAR
CHEBI:133987 biolink:ChemicalSubstance (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoate A hydroperoxyoctadecatrienoate that is the conjugate base of (9Z,11E,13R,15Z)-13-hydroperoxyoctadecatrienoic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3. phenio.json (13R)-HPOTrE(1-)|(13R)-hydroperoxy-(9Z,11E,15Z)-octadeca-9,11,15-trienoate|(13R)-hydroperoxy-(9Z,11E,15Z)-octadecatrienoate|(9Z,11E,13R,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoate|13(R)-HPOTrE(1-) http://purl.obolibrary.org/obo/CHEBI_133987 3_STAR
CHEBI:133994 biolink:ChemicalSubstance alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5164 phenio.json alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-mannopyranosyl-(1->6)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl dihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_133994 3_STAR
CHEBI:133998 biolink:ChemicalSubstance alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5165 phenio.json alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->6)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl dihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_133998 3_STAR
CHEBI:133999 biolink:ChemicalSubstance alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5166 phenio.json alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl dihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_133999 3_STAR
CHEBI:134000 biolink:ChemicalSubstance alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5167 phenio.json alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)-diphosphodolichol|alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl dihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_134000 3_STAR
CHEBI:134002 biolink:ChemicalSubstance alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5168 phenio.json alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl dihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_134002 3_STAR
CHEBI:134003 biolink:ChemicalSubstance alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) An alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5169 phenio.json alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)-diphosphodolichol|alpha-D-glucopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl dihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_134003 3_STAR
CHEBI:134004 biolink:ChemicalSubstance alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) An alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-5170 phenio.json alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol|alpha-D-glucopyranosyl-(1->3)-alpha-D-glucopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl dihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_134004 3_STAR
CHEBI:134005 biolink:ChemicalSubstance alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol) An alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol) in which the anomeric centre has alpha-configuration. MetaCyc:CPD-18076 phenio.json alpha-D-Glc-(1->2)-alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)-diphosphodolichol|alpha-D-glucopyranosyl-(1->2)-alpha-D-glucopyranosyl-(1->3)-alpha-D-glucopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl dihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_134005 3_STAR
CHEBI:134018 biolink:ChemicalSubstance N-acyl-gamma-aminobutyric acid A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of gamma-aminobutyric acid. phenio.json N-acyl-4-aminobutanoic acid|N-acyl-4-aminobutyric acid|N-acyl-GABA http://purl.obolibrary.org/obo/CHEBI_134018 3_STAR
CHEBI:134019 biolink:ChemicalSubstance hydroperoxy polyunsaturated fatty acid anion Any polyunsaturated fatty acid anion carrying one or more hydroperoxy substituents. phenio.json a hydroperoxy polyunsaturated fatty acid|hydroperoxy polyunsaturated fatty acid anions|hydroperoxy-polyunsaturated fatty acid anion|hydroperoxy-polyunsaturated fatty acid anions http://purl.obolibrary.org/obo/CHEBI_134019 3_STAR
CHEBI:134020 biolink:ChemicalSubstance N-oleoyl-L-phenylalaninate An N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-phenylalanine. The major species at pH 7.3. PMID:27374330 phenio.json (2S)-2-[(9Z)-octadec-9-enoylamino]-3-phenylpropanoate|(2S)-2-[(9Z)-octadec-9-enoylamino]-3-phenylpropionate|N-(9Z-octadecenoyl)-L-phenylalanine|N-oleoyl-L-phenylalaninate http://purl.obolibrary.org/obo/CHEBI_134020 3_STAR
CHEBI:134021 biolink:ChemicalSubstance N-oleoyl-L-phenylalanine An N-acyl-L-phenylalanine resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-phenylalanine. LIPID_MAPS_instance:LMFA08020092|PMID:27374330|Reaxys:20745810 phenio.json (2S)-2-[(9Z)-octadec-9-enoylamino]-3-phenylpropanoic acid|(2S)-2-[(9Z)-octadec-9-enoylamino]-3-phenylpropionic acid|N-(9Z-octadecenoyl)-phenylalanine|N-[(9Z)-octadec-9-enoyl]-L-phenylalanine|N-oleoyl phenylalanine|oleoyl-L-Phe-OH http://purl.obolibrary.org/obo/CHEBI_134021 3_STAR
CHEBI:134043 biolink:ChemicalSubstance phenylureas Any member of the class of ureas in which at least one of the nitrogens of the urea moiety is substituted by a phenyl or substituted phenyl group. phenio.json http://purl.obolibrary.org/obo/CHEBI_134043 3_STAR
CHEBI:134045 biolink:ChemicalSubstance polychlorinated dibenzodioxines and related compounds Organochlorine compounds that are polychlorinated dibenzodioxines and structurally related entities that are persistant organic pollutants. These include polychlorinated dibenzofurans as well as polychlorinated and polybrominated biphenyls They vary widely in their toxicity, but their toxic mode of action is through the aryl hydrocarbon receptor. Wikipedia:Dioxins_and_dioxin-like_compounds phenio.json DLCs|PCDDs and related compounds|dioxins and dioxin-like compounds|polychlorinated dibenzodioxins and related compounds http://purl.obolibrary.org/obo/CHEBI_134045 3_STAR
CHEBI:134066 biolink:ChemicalSubstance N(6)-(pyridoxal phosphate)-L-lysine An L-lysine derivative that is the aldimine obtained via formal condensation of the side-chain amino group of L-lysine with the carbonyl group of pyridoxal phosphate. CAS:2440-59-7|PDBeChem:LLP|Reaxys:5457489 phenio.json (E)-N(6)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-lysine|(S)-2-amino-6-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-4-pyridine)methyleneamino]hexanoic acid|2-azanyl-6-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid|N'-PYRIDOXYL-LYSINE-5'-MONOPHOSPHATE|N(6)-pyridoxal phosphate-L-lysine conjugate|N6-((3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinyl)methylene)-L-lysine http://purl.obolibrary.org/obo/CHEBI_134066 3_STAR
CHEBI:134068 biolink:ChemicalSubstance (1->4)-6-phospho-alpha-D-glucan polyanion An organophosphate oxoanion obtained by global deprotonation of the phosphate OH groups of (1->4)-6-phospho-alpha-D-glucan; major species at pH 7.3. MetaCyc:(1right4)-6-phospho-alpha-D-glucan phenio.json (1->4)-6-phospho-alpha-D-glucan http://purl.obolibrary.org/obo/CHEBI_134068 3_STAR
CHEBI:134084 biolink:ChemicalSubstance EC 1.15.1.1 (superoxide dismutase) inhibitor phenio.json http://purl.obolibrary.org/obo/CHEBI_134084 1_STAR
CHEBI:134085 biolink:ChemicalSubstance 3-hydroxyanthocyanidin cation Any anthocyanin cation carrying a 3-hydroxy substituent. MetaCyc:3-OH-Anthocyanidins|PMID:12532018|PMID:14725861 phenio.json 3-hydroxyanthocyanidin cations http://purl.obolibrary.org/obo/CHEBI_134085 3_STAR
CHEBI:134087 biolink:ChemicalSubstance 3-hydroxyanthocyanidin betaine An oxonium betaine obtained by deprotonation of the 3-hydroxy group of any 3-hydroxyanthocyanidin cation. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). PMID:12532018|PMID:14725861 phenio.json an anthocyanidin with a 3-hydroxy group http://purl.obolibrary.org/obo/CHEBI_134087 3_STAR
CHEBI:134090 biolink:ChemicalSubstance N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide Any glycoside derived from N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine. MetaCyc:N-ACETYL-BETA-D-GLUCOSAMINYL-13-ETCETERA phenio.json an N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl derivative http://purl.obolibrary.org/obo/CHEBI_134090 3_STAR
CHEBI:134091 biolink:ChemicalSubstance perfluorinated compound An organofluorine compound containing only C-F bonds (no C-H bonds) and C-C bonds but also other heteroatoms (particularly other halogens, oxygen, and sulfur). Their properties represent a blend of fluorocarbons (containing only C-F and C-C bonds) and the parent functionalised organic species. Wikipedia:Perfluorinated_compound phenio.json PFC|PFCs|perfluorinated compounds http://purl.obolibrary.org/obo/CHEBI_134091 3_STAR
CHEBI:134117 biolink:ChemicalSubstance presqualene monophosphate A triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a monophosphate group. PMID:16464866|PMID:16990613|PMID:23568778|PMID:9353124 phenio.json {(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropan-1-yl}methyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_134117 3_STAR
CHEBI:134126 biolink:ChemicalSubstance picrotoxin A mixture consisting of equimolar amounts of picrotoxinin and picrotin found in the climbing plant Anamirta cocculus. CAS:124-87-8|HMDB:HMDB0014609|Reaxys:21526388|Wikipedia:Picrotoxin phenio.json (1R,3R,5S,8S,9R,12S,13R,14R)-1-hydroxy-13-methyl-14-(prop-1-en-2-yl)-4,7,10-trioxapentacyclo[6.4.1.1(9,12).0(3,5).0(5,13)]tetradecane-6,11-dione -- (1R,3R,5S,8S,9R,12S,13R,14S)-1-hydroxy-14-(2-hydroxypropan-2-yl)-13-methyl-4,7,10-trioxapentacyclo[6.4.1.1(9,12).0(3,5).0(5,13)]tetradecane-6,11-dione (1:1)|Cocculin|Cocculus|Coques du levant|picrotoxine|picrotoxinin - picrotin (1:1) http://purl.obolibrary.org/obo/CHEBI_134126 3_STAR
CHEBI:134133 biolink:ChemicalSubstance 1-acylglycerol 20:4 A 1-monoglyceride in which the acyl group contains 20 carbons and 4 double bonds. phenio.json 1-AG 20:4|1-monoglyceride 20:4 http://purl.obolibrary.org/obo/CHEBI_134133 3_STAR
CHEBI:134144 biolink:ChemicalSubstance 2-acylglycerol 20:4 A 2-monoglyceride in which the acyl group contains 20 carbons and 4 double bonds. phenio.json 2-AG 20:4|2-monoglyceride 20:4 http://purl.obolibrary.org/obo/CHEBI_134144 3_STAR
CHEBI:134157 biolink:ChemicalSubstance N-acylethanolamine 18:0 A N-(long-chain-acyl)ethanolamine in which the acyl group contains 18 carbons and is fully saturated. phenio.json NAE 18:0 http://purl.obolibrary.org/obo/CHEBI_134157 3_STAR
CHEBI:134158 biolink:ChemicalSubstance N-acylethanolamine 18:1 An N-acylethanolamine in which the acyl group contains 18 carbons and 1 double bond. phenio.json NAE 18:1 http://purl.obolibrary.org/obo/CHEBI_134158 3_STAR
CHEBI:134161 biolink:ChemicalSubstance N-acylethanolamine 20:4 A N-(long-chain-acyl)ethanolamine in which the acyl group contains 20 carbons and 4 double bonds. phenio.json NAE 20:4 http://purl.obolibrary.org/obo/CHEBI_134161 3_STAR
CHEBI:134173 biolink:ChemicalSubstance antidote to barbiturate poisoning A role borne by a molecule that acts to counteract or neutralise the deleterious effects of barbiturates. PMID:15432128 phenio.json antidote to barbiturate overdose http://purl.obolibrary.org/obo/CHEBI_134173 3_STAR
CHEBI:134174 biolink:ChemicalSubstance picrotoxane sesquiterpenoid A group of sesquiterpenoids whose structure is based on a hexahydroindane skeleton, as exemplified by picrotin. phenio.json picrotoxane sesquiterpenoids http://purl.obolibrary.org/obo/CHEBI_134174 3_STAR
CHEBI:134175 biolink:ChemicalSubstance N-acylserotonin A fatty amide resulting from the condensation of the carboxy group of a fatty acid with the primary amino group of serotonin. PMID:21798367|PMID:24444601|PMID:25291601 phenio.json N-acyl-serotonin|N-acyl-serotonins|N-acylserotonins|an N-(fatty acyl)-serotonin http://purl.obolibrary.org/obo/CHEBI_134175 3_STAR
CHEBI:134178 biolink:ChemicalSubstance all-trans-4-hydroxyretinoate A hydroxy monocarboxylic acid anion that is the conjugate base of all-trans-4-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:8939936 phenio.json (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-3-hydroxy-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate|(2E,4E,6E,8E)-9-(3-hydroxy-2,6,6-trimethyl-1-cyclohexenyl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate|(7E,9E,11E,13E)-4-hydroxyretinoic acid|4-hydroxy-(7E,9E,11E,13E)-retinoate|4-hydroxy-15-oxidoretinal|4-hydroxy-all-trans-retinoate|all-trans-4-hydroxyretinoate http://purl.obolibrary.org/obo/CHEBI_134178 3_STAR
CHEBI:134179 biolink:ChemicalSubstance volatile organic compound Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa. Wikipedia:Volatile_organic_compound phenio.json VOC|VOCs|volatile organic compounds http://purl.obolibrary.org/obo/CHEBI_134179 3_STAR
CHEBI:134182 biolink:ChemicalSubstance platelet-activating factor receptor antagonist An antagonist that acts at the platelet-activating factor receptor. phenio.json PAF antagonist|PAF antagonists|platelet-activating factor receptor antagonists http://purl.obolibrary.org/obo/CHEBI_134182 3_STAR
CHEBI:134185 biolink:ChemicalSubstance (S)-all-trans-4-hydroxyretinoate An all-trans-4-hydroxyretinoate that is the conjugate base of (S)-all-trans-4-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:25492813 phenio.json (4S)-4-hydroxy-15-oxidoretinal|(4S)-OH-atRA|all-trans-(4S)-hydroxyretinoate http://purl.obolibrary.org/obo/CHEBI_134185 3_STAR
CHEBI:134190 biolink:ChemicalSubstance capsiate A carboxylic ester obtained by formal condensation of the carboxy group of (6E)-8-methylnon-6-enoic acid with the benzylic hydroxy group of vanillyl alcohol. A non-pungent analogue of capsaicin with a similar biological profile. AGR:IND44385191|CAS:205687-01-0|Chemspider:8015237|HMDB:HMDB0034780|KEGG:C20203|PMID:12726827|PMID:12959953|PMID:16636441|PMID:17264228|PMID:17971242|PMID:18172315|PMID:19773740|PMID:20102390|PMID:20123015|PMID:21071592|PMID:21878735|PMID:21883144|PMID:21928164|PMID:22038945|PMID:23026494|PMID:24026939|PMID:24102723|PMID:24644244|PMID:25806854|PMID:26030806|PMID:28001433|PMID:28230360|PMID:28569248|Reaxys:7933697 phenio.json (4-hydroxy-3-methoxyphenyl)methyl (6E)-8-methylnon-6-enoate|capsiate|vanillyl (6E)-8-methylnon-6-enoate http://purl.obolibrary.org/obo/CHEBI_134190 3_STAR
CHEBI:134196 biolink:ChemicalSubstance (2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid A 2,5-dihydro-1,3-thiazole carrying carboxy-, methyl- and (2-phosphonooxy)ethylidene-substituents at positions 2, 4 and 5 respectively. KEGG:C20246|PMID:21534620|Reaxys:19003148 phenio.json (2R,5Z)-4-methyl-5-[2-(phosphonooxy)ethylidene]-2,5-dihydro-1,3-thiazole-2-carboxylic acid|(R,Z)-2-(2-carboxy-4-methylthiazol-5(2H)-ylidene)ethyl phosphate|2-[(2R,5Z)-2-carboxy-4-methylthiazol-5(2H)-ylidene]ethyl phosphate|cThz*-P http://purl.obolibrary.org/obo/CHEBI_134196 3_STAR
CHEBI:134197 biolink:ChemicalSubstance 3',5'-cyclic IMP(1-) An organophosphate oxoanion that is the conjugate base of 3',5'-cyclic IMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3. PMID:24074367 phenio.json 3',5'-cyclic IMP http://purl.obolibrary.org/obo/CHEBI_134197 3_STAR
CHEBI:134205 biolink:ChemicalSubstance 2-methyl-D-serine The D-enantiomer of 2-methylserine. phenio.json (2R)-2-amino-3-hydroxy-2-methylpropanoic acid|(2R)-2-amino-3-hydroxy-2-methylpropionic acid|(R)-2-methylserine|(R)-alpha-MeSer|2-methyl-D-serine http://purl.obolibrary.org/obo/CHEBI_134205 3_STAR
CHEBI:134206 biolink:ChemicalSubstance 2-methylserine A hydroxy-amino acid that is serine which is substituted by a methyl group at position 2. CAS:5424-29-3 phenio.json 2-amino-3-hydroxy-2-methylpropanoic acid|2-amino-3-hydroxy-2-methylpropionic acid|alpha-methylserine http://purl.obolibrary.org/obo/CHEBI_134206 3_STAR
CHEBI:134207 biolink:ChemicalSubstance methylcytosine phenio.json http://purl.obolibrary.org/obo/CHEBI_134207 1_STAR
CHEBI:134209 biolink:ChemicalSubstance aporphine alkaloid Any benzylisoquinoline alkaloid that has a structure based on 4H-dibenzo[de,g]quinoline or its 3-methyl derivative. phenio.json aporphine alkaloids http://purl.obolibrary.org/obo/CHEBI_134209 3_STAR
CHEBI:134212 biolink:ChemicalSubstance (S)-glaucine(1+) An organic cation that is the conjugate acid of (R)-glaucine, obtained by protonation of the tertiary amino group; major species at pH 7.3. PMID:7606346 phenio.json (+)-glaucine|(6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium|(S)-glaucine http://purl.obolibrary.org/obo/CHEBI_134212 3_STAR
CHEBI:134219 biolink:ChemicalSubstance decenals A monounsaturated fatty aldehyde that is decanal which has undergone formal dehydrogenation to introduce a double bond at unspecified position. phenio.json decenal http://purl.obolibrary.org/obo/CHEBI_134219 3_STAR
CHEBI:134225 biolink:ChemicalSubstance 1,4-benzosemiquinones A semiquinone derived from a 1,4-benzoquinone by formal addition of one hydrogen atom with its electron, or from the removal of one hydrogen atom with its electron from a hydroquinone. phenio.json a 1,4-benzosemiquinone|p-benzosemiquinones http://purl.obolibrary.org/obo/CHEBI_134225 3_STAR
CHEBI:134237 biolink:ChemicalSubstance phosphatidic acid 36:2 A phosphatidic acid in which the two acyl groups contain a total of 36 carbons and 2 double bonds. phenio.json PA(36:2) http://purl.obolibrary.org/obo/CHEBI_134237 3_STAR
CHEBI:134239 biolink:ChemicalSubstance phosphatidylethanolamine 38:5 A phosphatidylethanolamine in which the two acyl groups contain a total of 38 carbons and 5 double bonds. AGR:IND601133963 phenio.json PE(38:5) http://purl.obolibrary.org/obo/CHEBI_134239 3_STAR
CHEBI:134241 biolink:ChemicalSubstance phosphatidylethanolamine 40:6 A phosphatidylethanolamine in which the two acyl groups contain a total of 40 carbons and 6 double bonds. AGR:IND601133963|PMID:26363509 phenio.json PE(40:6) http://purl.obolibrary.org/obo/CHEBI_134241 3_STAR
CHEBI:134243 biolink:ChemicalSubstance phosphatidylethanolamine 40:5 A phosphatidylethanolamine in which the two acyl groups contain a total of 40 carbons and 5 double bonds. phenio.json PE(40:5) http://purl.obolibrary.org/obo/CHEBI_134243 3_STAR
CHEBI:134246 biolink:ChemicalSubstance (R)-2-hydroxyglutaryl-CoA A hydroxyglutaryl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-2-hydroxyglutaric acid. CAS:111769-66-5|MetaCyc:2-HYDROXYGLUTARYL-COA|PMID:11106419|PMID:11243821|PMID:11759672|PMID:11980491|PMID:12610725|PMID:15450487|PMID:18274792|PMID:21037290|PMID:21434666|Reaxys:21247358 phenio.json (R)-2-hydroxyglutaryl-coenzyme A|2-Hydroxyglutaryl-1-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-{[(2R)-4-carboxy-2-hydroxybutanoyl]sulfanyl}ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_134246 3_STAR
CHEBI:134247 biolink:ChemicalSubstance (11R)-11-hydroperoxylinoleic acid A linoleic acid hydroperoxide in which the hydroperoxy substituent is located at position 11R. PMID:26113537 phenio.json (11R)-hydroperoxy-(9Z,12Z)-octadecadienoic acid|(9Z,11R,12Z)-11-hydroperoxyoctadeca-9,12-dienoic acid|(9Z,11R,12Z)-11-hydroperoxyoctadecadienoic acid http://purl.obolibrary.org/obo/CHEBI_134247 3_STAR
CHEBI:134248 biolink:ChemicalSubstance (11R)-11-hydroperoxylinoleate An octadecanoid anion that is the conjugate base of (11R)-11-hydroperoxylinoleic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:26113537 phenio.json (11R)-11-hydroperoxylinoleate anion|(11R)-hydroperoxy-(9Z,12Z)-octadecadienoate|(9Z,11R,12Z)-11-hydroperoxyoctadeca-9,12-dienoate|(9Z,11R,12Z)-11-hydroperoxyoctadecadienoate http://purl.obolibrary.org/obo/CHEBI_134248 3_STAR
CHEBI:134249 biolink:ChemicalSubstance alkanesulfonate oxoanion An alkanesulfonate in which the carbon at position 1 is attached to R, which can represent hydrogens, a carbon chain, or other groups. MetaCyc:Alkanesulfonates phenio.json alkanesulfonate oxoanions|alkanesulfonates|an alkanesulfonate http://purl.obolibrary.org/obo/CHEBI_134249 3_STAR
CHEBI:134251 biolink:ChemicalSubstance guaiacols Any phenol carrying an additional methoxy substituent at the ortho-position. MetaCyc:Guaiacols phenio.json 1-hydroxy-2-methoxybenzenes|2-methoxyphenol|2-methoxyphenol derivative|2-methoxyphenol derivatives|2-methoxyphenols|a guaiacol|catechol monomethyl ether|catechol monomethyl ethers|o-methoxyphenol|o-methoxyphenols|ortho-methoxyphenol|ortho-methoxyphenols http://purl.obolibrary.org/obo/CHEBI_134251 3_STAR
CHEBI:134252 biolink:ChemicalSubstance apraclonidine(1+) A guanidinium ion that is the conjugate acid of apraclonidine, obtained by protonation of the guanidino group. Major microspecies at pH 7.3. PMID:11056163 phenio.json 2-(4-amino-2,6-dichloroanilino)-4,5-dihydro-1H-imidazol-1-ium|aminoclonidine(1+)|apraclonidine|apraclonidine cation http://purl.obolibrary.org/obo/CHEBI_134252 3_STAR
CHEBI:134256 biolink:ChemicalSubstance lipid A (E. coli) The glycolipid moiety of the lipopolysaccharide produced by E. coli. PMID:25867074|Reaxys:11056969 phenio.json 2-deoxy-6-O-(2-deoxy-2-[(3R)-3-(dodecanoyloxy)tetradecanamido]-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-alpha-D-glucopyranose|E. coli lipid A http://purl.obolibrary.org/obo/CHEBI_134256 3_STAR
CHEBI:134257 biolink:ChemicalSubstance lipid A(4-) (E. coli) A lipid A(4-) obtained by deprotonation of the four phosphate OH groups of the lipid A obtained from E. coli; major species at pH 7.3. phenio.json 2-deoxy-6-O-(2-deoxy-2-[(3R)-3-(dodecanoyloxy)tetradecanamido]-4-O-phosphonato-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphonato-alpha-D-glucopyranose|E. coli lipid A(4-)|lipid A (E. coli) http://purl.obolibrary.org/obo/CHEBI_134257 3_STAR
CHEBI:134268 biolink:ChemicalSubstance (S)-mandelamide A mandelamide in which the stereocentre at position 2 has S-configuration PMID:652949|Reaxys:5251737 phenio.json (2S)-2-hydroxy-2-phenylacetamide|(S)-mandelic acid amide|(S)-mandelic amide http://purl.obolibrary.org/obo/CHEBI_134268 3_STAR
CHEBI:134269 biolink:ChemicalSubstance 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one A differentiation-inducing factor that is pentaphenone bearing two chloro substituents at positions 3 and 5, two hydroxy substituents at positions 2 and 6 as well as a single methoxy substituent at position 4. A secreted, chlorinated molecule that controls cell fate during development of Dictyostelium cells. CAS:113411-16-8|PMID:1850369|PMID:19684855|PMID:21258165|PMID:26688830|PMID:26919666|PMID:3355503|Reaxys:10181236|Wikipedia:Differentiation-inducing_factor phenio.json 1-(3,5-Dichloro-2,6-dihydroxy-4-methoxyphenyl-)-1-pentanone|1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)pentan-1-one|DIF 2|DIF-2|Dif-2 (dictyostelium)|differentiation-inducing factor 2|differentiation-inducing factor-2 http://purl.obolibrary.org/obo/CHEBI_134269 3_STAR
CHEBI:134270 biolink:ChemicalSubstance phosphatidylethanolamine 38:4 PMID:26156741|PMID:27002763|PMID:27162539|PMID:28807032 phenio.json PE 38:4|PE(38:4) http://purl.obolibrary.org/obo/CHEBI_134270 2_STAR
CHEBI:134271 biolink:ChemicalSubstance phosphatidylethanolamine 36:4 phenio.json PE 36:4|PE(36:4)|phosphatidylethanolamine(36:4) http://purl.obolibrary.org/obo/CHEBI_134271 2_STAR
CHEBI:134273 biolink:ChemicalSubstance phosphatidylcholine 35:1 A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at C-1 and C-2 contain 35 carbons in total with 1 double bond. phenio.json PC 35:1|PC(35:1) http://purl.obolibrary.org/obo/CHEBI_134273 3_STAR
CHEBI:134275 biolink:ChemicalSubstance keto-L-tagatose The straight-chain keto form of L-tagatose. AGR:IND44317231|AGR:IND44507646|CAS:17598-82-2|MetaCyc:CPD-15825|PDBeChem:LTG|PMID:16233647|PMID:18984017|PMID:19111643|PMID:19856146|PMID:20410293|PMID:21392547|PMID:21482110|PMID:24367410|PMID:25615556|PMID:25655925|PMID:25899632|PMID:26227774|PMID:27998065|Reaxys:1724558 phenio.json (3R,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one|L-lyxo-2-hexulose|L-tagatose|keto-L-tagatose http://purl.obolibrary.org/obo/CHEBI_134275 3_STAR
CHEBI:134283 biolink:ChemicalSubstance keto-D-tagatose 6-phosphate(2-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of keto-D-tagatose 6-phosphate; major species at pH 7.3. MetaCyc:CPD-15826 phenio.json 6-O-phosphonato-D-tagatose|D-tagatose 6-phosphate(2-)|keto-D-tagatose 6-phosphate http://purl.obolibrary.org/obo/CHEBI_134283 3_STAR
CHEBI:134284 biolink:ChemicalSubstance keto-L-tagatose 6-phosphate(2-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of keto-L-tagatose 6-phosphate; major species at pH 7.3. MetaCyc:CPD-15828 phenio.json 6-O-phosphonato-L-tagatose|L-tagatose 6-phosphate(2-)|keto-L-tagatose 6-phosphate http://purl.obolibrary.org/obo/CHEBI_134284 3_STAR
CHEBI:134286 biolink:ChemicalSubstance O-succinyl-L-serine A dicarboxylic acid monoester obtained by formal condensation of one of the carboxy groups of succinic acid with the side-chain hydroxy group of L-serine. It is an intermediate in the biosynthesis of the amino acid cysteine in fungi and bacteria. PMID:28581482|PMID:4893684|Reaxys:6698489 phenio.json 4-[(2S)-2-amino-2-carboxyethoxy]-4-oxobutanoic acid|O-succinylserine|Ser(Suc)OH http://purl.obolibrary.org/obo/CHEBI_134286 3_STAR
CHEBI:134301 biolink:ChemicalSubstance salvianolic acid B A member of the class of 1-benzofurans that is an antioxidant and free radical scavenging compound extracted from S. miltiorrhiza CAS:121521-90-2|FooDB:FDB030001|KNApSAcK:C00031982|PMID:1414377|PMID:16933885|PMID:27278104|PMID:27424655|PMID:27442887|PMID:27484287|PMID:27490455|PMID:27497919|PMID:27507327|PMID:27513569|PMID:27557491|PMID:27569393|PMID:27586425|PMID:27592492|PMID:27614127|PMID:27670752|PMID:27716647|PMID:27779641|PMID:27827892|PMID:27843313|PMID:27852325|PMID:27893819|PMID:27941340|PMID:27973422|PMID:27989594|PMID:28000873|PMID:28072989|PMID:28116660|PMID:28178753|PMID:28211114|PMID:28214521|PMID:28244648|PMID:28251987|PMID:28254683|Pubchem:6441188|Reaxys:8182741 phenio.json (2R)-2-({(2E)-3-[(2S,3S)-3-{[(1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]carbonyl}-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-4-yl]prop-2-enoyl}oxy)-3-(3,4-dihydroxyphenyl)propanoic acid|Dan Shen Suan B|Danfensuan B|Lithospermate B|Lithospermic acid B http://purl.obolibrary.org/obo/CHEBI_134301 3_STAR
CHEBI:134316 biolink:ChemicalSubstance 2-acylphloroglucinol A benzenetriol that is phloroglucinol in which one of the ring hydrogens has been replaced by an acyl group. MetaCyc:CPD-19786 phenio.json 2-acylphloroglucinols http://purl.obolibrary.org/obo/CHEBI_134316 3_STAR
CHEBI:134343 biolink:ChemicalSubstance lupulone(1-) A beta-bitter acid(1-) that is the conjugate base of lupulone, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). MetaCyc:CPD-7110|PMID:19476340|PMID:25099125 phenio.json 5-hydroxy-2-(3-methylbutanoyl)-4,4,6-tris(3-methylbut-2-en-1-yl)-3-oxocyclohexa-1,5-dien-1-olate|lupulone http://purl.obolibrary.org/obo/CHEBI_134343 3_STAR
CHEBI:134344 biolink:ChemicalSubstance ergothioneine(1+) An alpha-amino-acid cation obtained by protonation of the imidazole ring of ergothioneine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). phenio.json (2S)-3-(2-sulfanylidene-2,3-dihydro-1H-imidazol-3-ium-4-yl)-2-(trimethylazaniumyl)propanoate|ergothioneine|ergothioneine cation http://purl.obolibrary.org/obo/CHEBI_134344 3_STAR
CHEBI:134348 biolink:ChemicalSubstance beta-bitter acid(1-) An organic anion obtained by deprotonation of one of the enolic hydroxy groups of any beta-bitter acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). MetaCyc:BETA-ACIDS phenio.json 2-acyl-4,6,6-triprenylphloroglucinol(1-)|a 2-acyl-4,6,6-triprenylphloroglucinol|beta-bitter acid anion http://purl.obolibrary.org/obo/CHEBI_134348 3_STAR
CHEBI:134355 biolink:ChemicalSubstance auraptene A member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a geranyl group. Ii is isolated from several edible fruits and vegetables and exhibits a variety of therapeutic properties. CAS:495-02-3|Chemspider:1267148|HMDB:HMDB0034054|KNApSAcK:C00029763|PMID:10426794|PMID:10820092|PMID:10840935|PMID:10890030|PMID:10919638|PMID:11023542|PMID:13155117|PMID:15218316|PMID:16012713|PMID:16317159|PMID:16395701|PMID:16979634|PMID:17151446|PMID:17284254|PMID:17301064|PMID:17571970|PMID:17898489|PMID:18060855|PMID:18444171|PMID:19276534|PMID:19444820|PMID:19640308|PMID:19688830|PMID:20460732|PMID:20681532|PMID:20702762|PMID:20863601|PMID:20955144|PMID:21705169|PMID:21911903|PMID:22038981|PMID:22283649|PMID:22471969|PMID:22742512|PMID:22754300|PMID:22761031|PMID:23083450|PMID:23219792|PMID:23320178|PMID:23368941|PMID:23495198|PMID:23872723|PMID:24070132|PMID:24955102|PMID:25147119|PMID:25522543|PMID:25620131|PMID:25810889|PMID:26351512|PMID:26474388|PMID:26730337|PMID:26944297|PMID:27130820|PMID:27207438|PMID:27420975|PMID:27763495|PMID:27771936|PMID:28383142|PMID:9247600|PMID:9395216|PMID:9525276|PMID:9635577|Reaxys:1291239|Wikipedia:Auraptene phenio.json (E)-7-((3,7-Dimethylocta-2,6-dien-1-yl)oxy)-2H-chromen-2-one|7-O-geranylumbelliferone|7-geranyloxycoumarin|7-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}-2H-1-benzopyran-2-one http://purl.obolibrary.org/obo/CHEBI_134355 3_STAR
CHEBI:134361 biolink:ChemicalSubstance allylic alcohol An alcohol where the hydroxy group is attached to a saturated carbon atom adjacent to a double bond (R groups may be H, organyl, etc.). phenio.json allylic alcohols http://purl.obolibrary.org/obo/CHEBI_134361 3_STAR
CHEBI:134362 biolink:ChemicalSubstance homoallylic alcohol An aliphatic alcohol where the hydroxy carbon is beta to a double bond. phenio.json homoallylic alcohols http://purl.obolibrary.org/obo/CHEBI_134362 3_STAR
CHEBI:134363 biolink:ChemicalSubstance tertiary amine oxide An N-oxide where there are three organic groups bonded to the nitrogen atom. Patent:EP0545208|Patent:EP0757983|Patent:EP0866058|Patent:EP1068179|Patent:US4206204|Patent:WO9950236 phenio.json tertiary amine oxides http://purl.obolibrary.org/obo/CHEBI_134363 3_STAR
CHEBI:134364 biolink:ChemicalSubstance 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-CoA A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 7alpha,12alpha-3-oxochol-4-en-24-oic acid. MetaCyc:3-OXO-DELTA4-CHOLYL-COA phenio.json 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_134364 3_STAR
CHEBI:134366 biolink:ChemicalSubstance 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 12alpha-hydroxy-3-oxochola-4,6-dien-24-oic acid. MetaCyc:3-OXO-DELTA46-CHOLYL-COA phenio.json 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_134366 3_STAR
CHEBI:134386 biolink:ChemicalSubstance 2-acylphloroglucinol(1-) A phenolate anion obtained by deprotonation of one of the phenolic hydroxy groups of any 2-acylphloroglucinol. phenio.json a 2-acylphloroglucinol http://purl.obolibrary.org/obo/CHEBI_134386 3_STAR
CHEBI:134394 biolink:ChemicalSubstance primary allylic alcohol An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to two hydrogens. phenio.json primary allylic alcohols http://purl.obolibrary.org/obo/CHEBI_134394 3_STAR
CHEBI:134396 biolink:ChemicalSubstance secondary allylic alcohol An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to one other carbon and one hydrogen. phenio.json secondary allylic alcohols http://purl.obolibrary.org/obo/CHEBI_134396 3_STAR
CHEBI:134397 biolink:ChemicalSubstance tertiary allylic alcohol An allylic alcohol in which the carbon atom that links the double bond to the hydroxy group is also attached to two other carbons (R4,R5 =/= H). phenio.json tertiary allylic alcohols http://purl.obolibrary.org/obo/CHEBI_134397 3_STAR
CHEBI:134398 biolink:ChemicalSubstance D-proline betaine An amino acid betaine that is D-proline zwitterion in which both of the hydrogens attached to the nitrogen are replaced by methyl groups. MetaCyc:CPD-17175|PMID:24056934|PMID:24520058 phenio.json (2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate|(R)-2-carboxylato-1,1-dimethylpyrrolidinium|D-proline betaine|N,N-dimethyl-D-proline http://purl.obolibrary.org/obo/CHEBI_134398 3_STAR
CHEBI:134399 biolink:ChemicalSubstance ADP-5-ethyl-4-methylthiazole-2-carboxylic acid An 1,3-thiazolemonocarboxylic acid that is ADP in which one of the diphosphate hydrogens has been replaced by a 2-(2-carboxy-4-methyl-1,3-thiazol-5-yl)ethyl group. KEGG:C20784|PDBeChem:AHZ|Reaxys:10406259 phenio.json 5'-O-[({[2-(2-carboxy-4-methyl-1,3-thiazol-5-yl)ethoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine|Adenosine diphospho-5-beta-ethyl-4-methylthiazole-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_134399 3_STAR
CHEBI:134407 biolink:ChemicalSubstance prostaglandin H3 A member of the class of prostaglandins H that is 9,11-epidioxyprosta-5,13,17-trienoic acid carrying an additional hydroxy substituent at the 15S-position. CAS:60114-66-1|PMID:2491846|PMID:3579292|PMID:531219|PMID:6966885|Reaxys:30529584 phenio.json (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S,,5Z)-3-hydroxyocta-1,5-dien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoic acid|(5Z,9S,11R,13E,15S,17Z)-15-hydroxy-9,11-epidioxyprosta-5,13,17-trienoic acid|(5Z,9alpha,11alpha,13E,15S,17Z)-9,11-Epidioxy-15-hydroxyprosta-5,13,17-trien-1-oic acid|PGH3 http://purl.obolibrary.org/obo/CHEBI_134407 3_STAR
CHEBI:134416 biolink:ChemicalSubstance 3-oxo fatty acid Any oxo fatty acid in which an oxo substituent is located at position 3. phenio.json 3-keto fatty acid|3-keto fatty acids|3-oxo fatty acids http://purl.obolibrary.org/obo/CHEBI_134416 3_STAR
CHEBI:134428 biolink:ChemicalSubstance phosphatidylethanolamine 38:6 A phosphatidylethanolamine in which the two acyl groups contain a total of 38 carbons and 6 double bonds. phenio.json PE 38:6 http://purl.obolibrary.org/obo/CHEBI_134428 3_STAR
CHEBI:134429 biolink:ChemicalSubstance phosphatidylethanolamine 40:7 A phosphatidylethanolamine in which the two acyl groups contain a total of 40 carbons and 7 double bonds. phenio.json PE 40:7 http://purl.obolibrary.org/obo/CHEBI_134429 3_STAR
CHEBI:134438 biolink:ChemicalSubstance titanium oxides A class containing any titanium molecular entity that is an oxide of titanium. phenio.json titanium oxide http://purl.obolibrary.org/obo/CHEBI_134438 3_STAR
CHEBI:134441 biolink:ChemicalSubstance titanium oxide nanoparticle A nanoparticle composed of any titanium oxide. phenio.json http://purl.obolibrary.org/obo/CHEBI_134441 3_STAR
CHEBI:134448 biolink:ChemicalSubstance phosphatidylglycerol 38:4 A phosphatidylglycerol in which the two acyl groups contain a total of 38 carbons and 4 double bonds. phenio.json PG 38:4 http://purl.obolibrary.org/obo/CHEBI_134448 3_STAR
CHEBI:134451 biolink:ChemicalSubstance phosphatidylethanolamine 36:1 A phosphatidylethanolamine in which the two acyl groups contain a total of 36 carbons and 1 double bond. phenio.json PE 36:1 http://purl.obolibrary.org/obo/CHEBI_134451 3_STAR
CHEBI:134464 biolink:ChemicalSubstance [(2->6)-beta-D-fructofuranosyl-]n alpha-D-glucopyranoside A fructan derivative consisting of (2->6)-beta-D-fructan attached to an alpha-D-glucopyranosyl residue via a (1<->1) linkage. phenio.json [(2->6)-beta-D-fructofuranosyl-]n alpha-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_134464 3_STAR
CHEBI:134490 biolink:ChemicalSubstance phosphatidylglycerol 36:1 A phosphatidylglycerol in which the two acyl groups contain 36 carbon atoms and 1 double bond. phenio.json PG 36:1 http://purl.obolibrary.org/obo/CHEBI_134490 3_STAR
CHEBI:134504 biolink:ChemicalSubstance tenofovir(1-) A phosphorus oxoanion resulting from the removal of one proton from the phosphonic acid group of tenofovir. The major microspecies at pH 7.3. PMID:15914676 phenio.json hydrogen ({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate|tenofovir|tenofovir (1-) http://purl.obolibrary.org/obo/CHEBI_134504 3_STAR
CHEBI:134512 biolink:ChemicalSubstance adefovir(1-) A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). PMID:15914676 phenio.json adefovir|hydrogen {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate http://purl.obolibrary.org/obo/CHEBI_134512 3_STAR
CHEBI:134514 biolink:ChemicalSubstance cidofovir(1-) A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of cidofovir. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). PMID:15914676 phenio.json cidofovir|hydrogen ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonate http://purl.obolibrary.org/obo/CHEBI_134514 3_STAR
CHEBI:134526 biolink:ChemicalSubstance S-(long-chain fatty acyl)-L-cysteine An L-cysteine derivative obtained by formal condensation of the carboxy group of any long-chain fatty acid with the side-chain thiol group of L-cysteine. phenio.json http://purl.obolibrary.org/obo/CHEBI_134526 3_STAR
CHEBI:134529 biolink:ChemicalSubstance omega-(methylthio)-2-oxocarboxylic acid Any 2-oxo monocarboxylic acid in which one of the terminal methyl hydrogens has been replaced by a methylthio group. phenio.json omega-(methylthio)-2-oxocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_134529 3_STAR
CHEBI:134530 biolink:ChemicalSubstance 2-(omega-methylthio)alkylmalic acid A 2-hydroxydicarboxylic acid that is any 2-alkylmalic acid in which one of the terminal methyl hydrogens has been replaced by a methylthio group. MetaCyc:CPD-19482 phenio.json 2-(omega-methylthio)alkylmalic acids|alpha-(methylsulfanyl)-omega-(2,3-dicarboxy-2-hydroxypropyl)polymethylene http://purl.obolibrary.org/obo/CHEBI_134530 3_STAR
CHEBI:134531 biolink:ChemicalSubstance polyunsaturated dicarboxylic acid A dicarboxylic acid having 2 or more units of unsaturation. phenio.json polyunsaturated dicarboxylic acids http://purl.obolibrary.org/obo/CHEBI_134531 3_STAR
CHEBI:134542 biolink:ChemicalSubstance oxodocosahexaenoic acid An oxo fatty acid that consists of docosahexaenoic acid (DoHE) carrying one or more oxo substituents. phenio.json ketodocosahexaenoic acid|ketodocosahexaenoic acids|oxo-DoHE|oxodocosahexaenoic acids http://purl.obolibrary.org/obo/CHEBI_134542 3_STAR
CHEBI:134547 biolink:ChemicalSubstance TOP-53 A furonaphthodioxole that is 4'-demethyldeoxypodophyllotoxin which is substituted at position 4 of the C-ring by a 2-{[2-(dimethylamino)ethyl](methyl)amino}ethyl group. While structurally related to etoposide, TOP-53 is significantly more toxic to non-small cell lung cancer cells, more active at generating chromosomal breaks, and displays improved cellular uptake and pharmacokinetics in animal lung tissues. CAS:148262-19-5|PMID:11106259|PMID:11170388|PMID:12081147|PMID:15892669|PMID:15992351|PMID:24827545|PMID:8665518|PMID:9106054|Reaxys:6377812 phenio.json (5R,5aR,8aR,9S)-9-(2-{[2-(dimethylamino)ethyl](methyl)amino}ethyl)-5-(4-hydroxy-3,5-dimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one|4'-demethyl-4beta-(2-{N-[2-(N',N'-dimethylamino)ethyl]-N-methylamino}ethyl)-4-desoxypodophyllotoxin|TOP 53 http://purl.obolibrary.org/obo/CHEBI_134547 3_STAR
CHEBI:134548 biolink:ChemicalSubstance N-pentacosanoylsphingosine A N-acylsphingosine in which the ceramide N-acyl group is specified as pentacosanoyl. CAS:104404-17-3|HMDB:HMDB0004957|LIPID_MAPS_instance:LMSP02010013|PMID:18835123|Reaxys:31222671 phenio.json C25 ceramide|Cer(d18:1/25:0)|N-(pentacosanoyl)-ceramide|N-(pentacosanoyl)-sphing-4-enine|N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]pentacosanamide|N-pentacosanoylsphing-4-enine|ceramide (d18:1/25:0) http://purl.obolibrary.org/obo/CHEBI_134548 3_STAR
CHEBI:134605 biolink:ChemicalSubstance diazepinoindole Any organic heterotricyclic compound with a skeleton consisting of a diazepine ring fused to an indole. phenio.json diazepinoindoles http://purl.obolibrary.org/obo/CHEBI_134605 3_STAR
CHEBI:134615 biolink:ChemicalSubstance hydroperoxyoctadecatrienoic acid A octadecanoid that is any octadecatrienoic acid carrying a single hydroperoxy substituent (position unspecified). phenio.json HpOTE|HpOTrE|hydroperoxyoctadecatrienoic acids http://purl.obolibrary.org/obo/CHEBI_134615 3_STAR
CHEBI:134628 biolink:ChemicalSubstance (1E,2S)-2-methylbutanal oxime An (E)-2-methylbutanal oxime that has S configuration at position 2. KEGG:C19491 phenio.json (1E,2S)-2-methylbutanal oxime|N-[(1E,2S)-2-methylbutylidene]hydroxylamine http://purl.obolibrary.org/obo/CHEBI_134628 3_STAR
CHEBI:134631 biolink:ChemicalSubstance L-polyhomomethionine zwitterion An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any L-polyhomomethionine; major species at pH 7.3. MetaCyc:N-homo-methionine phenio.json L-polyhomomethionine zwitterions|an L-polyhomomethionine http://purl.obolibrary.org/obo/CHEBI_134631 3_STAR
CHEBI:134645 biolink:ChemicalSubstance hydroperoxy(hydroxy)icosapentaenoic acid An icosanoid that is any icosapentaenoic acid bearing hydroxy and hydroperoxy substituents. An oxidation product of icosapentaenoic acid metabolism. phenio.json hydroperoxy(hydroxy)eicosapentaenoic acid|hydroperoxy(hydroxy)eicosapentaenoic acids|hydroperoxy(hydroxy)icosapentaenoic acids http://purl.obolibrary.org/obo/CHEBI_134645 3_STAR
CHEBI:134651 biolink:ChemicalSubstance hydroxydocosapentaenoic acid A docosanoid that is any docosapentaenoic acid carrying a single hydroxy substituent on its carbon chain. phenio.json hydroxydocosapentaenoic acids http://purl.obolibrary.org/obo/CHEBI_134651 3_STAR
CHEBI:134656 biolink:ChemicalSubstance resolvin T1(1-) A docosanoid anion that is the conjugate base of resolvin T1, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:27704804 phenio.json (8E,10Z,14E,16Z,18E)-7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoate|(8E,10Z,14E,16Z,18E)-7,13,20-trihydroxydocosapentaenoate|13-series resolvin 1(1-)|RvT1(1-)|resolvin T1 http://purl.obolibrary.org/obo/CHEBI_134656 3_STAR
CHEBI:134657 biolink:ChemicalSubstance resolvin T2(1-) A docosanoid anion that is the conjugate base of resolvin T2, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:27704804 phenio.json (8Z,10E,14E,16Z,19Z)-7,12,13-trihydroxydocosa-8,10,14,16,19-pentaenoate|(8Z,10E,14E,16Z,19Z)-7,12,13-trihydroxydocosapentaenoate|13-series resolvin 2(1-)|RvT2(1-)|resolvin T2 http://purl.obolibrary.org/obo/CHEBI_134657 3_STAR
CHEBI:134658 biolink:ChemicalSubstance resolvin T3(1-) A docosanoid anion that is the conjugate base of resolvin T3, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:27704804 phenio.json (9E,11E,14E,16Z,19Z)-7,8,13-trihydroxydocosa-9,11,14,16,19-pentaenoate|(9E,11E,14E,16Z,19Z)-7,8,13-trihydroxydocosapentaenoate|13-series resolvin 3(1-)|RvT3(1-)|resolvin T3 http://purl.obolibrary.org/obo/CHEBI_134658 3_STAR
CHEBI:134659 biolink:ChemicalSubstance resolvin T4(1-) A docosanoid anion that is the conjugate base of resolvin T4, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:27704804 phenio.json (8E,10Z,14E,16Z,19Z)-7,13-dihydroxydocosa-8,10,14,16,19-pentaenoate|(8E,10Z,14E,16Z,19Z)-7,13-dihydroxydocosapentaenoate|13-series resolvin 4(1-)|RvT4(1-)|resolvin T4 http://purl.obolibrary.org/obo/CHEBI_134659 3_STAR
CHEBI:134680 biolink:ChemicalSubstance omega-(methylsulfanyl)-(E)-alkanal oxime An aliphatic aldoxime which is substituted at the omega position by a methylsulfanediyl group and in which the oxime moiety has E configuration. MetaCyc:CPD-19472 phenio.json an omega-(methylsulfanyl)-(E)-alkanal oxime|omega-(methylsulfanyl)-(E)-alkanal oximes|omega-(methylthio)-(E)-alkanal oxime|omega-(methylthio)-(E)-alkanal oximes http://purl.obolibrary.org/obo/CHEBI_134680 3_STAR
CHEBI:134686 biolink:ChemicalSubstance oxycodone(1+) An organic cation that is the conjugate acid of oxycodone, obtained by protonation of the tertiary amino group of oxycodone. phenio.json (5alpha,17S)-14-hydroxy-3-methoxy-17-methyl-6-oxo-4,5-epoxymorphinan-17-ium|oxycodone cation http://purl.obolibrary.org/obo/CHEBI_134686 3_STAR
CHEBI:134688 biolink:ChemicalSubstance naltrexone(1+) phenio.json http://purl.obolibrary.org/obo/CHEBI_134688 1_STAR
CHEBI:134689 biolink:ChemicalSubstance rucaparib A member of the class of azepinoindoles that is 1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one carrying additional 4-[(methylamino)methyl]phenyl and fluoro substituents at positions 2 and 8 respectively. It is an inhibitor of poly (ADP-ribose) polymerase and is used (as the camsylate salt) as monotherapy for advanced ovarian cancer and deleterious germline or somatic BRCA mutation. CAS:283173-50-2|Chemspider:8107584|DrugBank:DB12332|KEGG:D10079|LINCS:LSM-4947|PDBeChem:RPB|PMID:24900770|PMID:25689628|PMID:26438157|PMID:27002934|PMID:27087632|PMID:27128213|PMID:27228289|PMID:27415012|PMID:27515310|PMID:27600766|PMID:27702817|PMID:27716873|PMID:27866910|PMID:27908594|PMID:27940438|PMID:28001384|PMID:28057616|PMID:28069724|PMID:28205191|PMID:28790837|PMID:30830551|PMID:30977683|PMID:32121331|PMID:32173049|PMID:32241924|PMID:32495160|PMID:32717310|PMID:32795228|PMID:33053351|PMID:33145877|PMID:33332934|PMID:33343988|PMID:33369704|PMID:33515503|PMID:33752918|PMID:33780687|Reaxys:11556434|Wikipedia:Rucaparib phenio.json 8-fluoro-2-{4-[(methylamino)methyl]phenyl}-1,3,4,5-tetrahydro-6H-azepino[5,4,3-cd]indol-6-one|AG-14447|rucaparib|rucaparibum http://purl.obolibrary.org/obo/CHEBI_134689 3_STAR
CHEBI:134691 biolink:ChemicalSubstance azepinoindole Any organic heterotricyclic compound with a skeleton consisting of an azepine ring fused to an indole. phenio.json azepinoindoles http://purl.obolibrary.org/obo/CHEBI_134691 3_STAR
CHEBI:134695 biolink:ChemicalSubstance rucaparib(1+) An organic cation obtained by protonation of the secondary amino function of rucaparib. phenio.json [4-(8-fluoro-6-oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indol-2-yl)phenyl]-N-methylmethanaminium|rucaparib cation http://purl.obolibrary.org/obo/CHEBI_134695 3_STAR
CHEBI:134709 biolink:ChemicalSubstance pitolisant CAS:362665-56-3|Drug_Central:5048 phenio.json BF2.649|pitolisant hydrochloride|tiprolisant|tiprolisant hydrochloride|wakix http://purl.obolibrary.org/obo/CHEBI_134709 2_STAR
CHEBI:134715 biolink:ChemicalSubstance trelagliptin CAS:865759-25-7|Drug_Central:5013 phenio.json SYR-472|SYR111472|trelagliptin succinate|zafatek http://purl.obolibrary.org/obo/CHEBI_134715 2_STAR
CHEBI:134718 biolink:ChemicalSubstance safinamide CAS:133865-89-1|Drug_Central:4921 phenio.json EMD 1195686|EMD-1195686|safinamide mesilate|safinamide mesylate|safinamide methanesulfonate|xadago http://purl.obolibrary.org/obo/CHEBI_134718 2_STAR
CHEBI:134721 biolink:ChemicalSubstance cetilistat CAS:282526-98-1|Drug_Central:4886 phenio.json ATL-962|oblean http://purl.obolibrary.org/obo/CHEBI_134721 2_STAR
CHEBI:134722 biolink:ChemicalSubstance favipiravir A member of the class of pyrazines that is pyrazine substituted by aminocarbonyl, hydroxy and fluoro groups at positions 2, 3 and 6, respectively. It is an anti-viral agent that inhibits RNA-dependent RNA polymerase of several RNA viruses and is approved for the treatment of influenza in Japan. CAS:259793-96-9|Chemspider:431002|DrugBank:DB12466|Drug_Central:4887|KEGG:D09537|PMCID:PMC7971419|PMID:28105854|PMID:28324644|PMID:28465146|PMID:28769016|PMID:29289664|PMID:29289666|PMID:29369776|PMID:29765101|PMID:29936152|PMID:29982696|PMID:30715325|PMID:30951731|PMID:31195019|PMID:31507197|PMID:31673977|PMID:32174453|PMID:32553844|PMID:32645335|PMID:32834770|PMID:32836314|PMID:32863356|PMID:33108587|PMID:33232871|PMID:33268271|PMID:33418497|PMID:33451007|PMID:33457366|PMID:33478340|PMID:33494498|PMID:33526596|PMID:33649117|PMID:33859168|Reaxys:9697246|Wikipedia:Favipiravir phenio.json 6-fluoro-3-hydroxy-2-pyrazinecarboxamide|6-fluoro-3-hydroxypyrazine-2-carboxamide|Areplivir|Avifavir|Avigan|Favilavir|Favipira|T 705|T-705|T705|fapilavir|favipiravir|favipiravirum http://purl.obolibrary.org/obo/CHEBI_134722 3_STAR
CHEBI:134726 biolink:ChemicalSubstance istradefylline CAS:155270-99-8|Drug_Central:4882 phenio.json KW-6002|KW6002|nouriast http://purl.obolibrary.org/obo/CHEBI_134726 2_STAR
CHEBI:134730 biolink:ChemicalSubstance umifenovir CAS:131707-25-0|Drug_Central:4868 phenio.json arbidol|arbidole http://purl.obolibrary.org/obo/CHEBI_134730 2_STAR
CHEBI:134743 biolink:ChemicalSubstance simeprevir CAS:923604-59-5|Drug_Central:4812 phenio.json TMC-435|TMC435350|olysio|simeprevir sodium http://purl.obolibrary.org/obo/CHEBI_134743 2_STAR
CHEBI:134749 biolink:ChemicalSubstance methylatropine CAS:31610-87-4|Drug_Central:4660 phenio.json atropine methobromide|atropine methonitrate|methylatropine nitrate|methylatropinium http://purl.obolibrary.org/obo/CHEBI_134749 2_STAR
CHEBI:134757 biolink:ChemicalSubstance fluroxene CAS:406-90-6|Drug_Central:3242 phenio.json fluoromar|fluoroxene|trifluoroethyl vinyl ether http://purl.obolibrary.org/obo/CHEBI_134757 2_STAR
CHEBI:134762 biolink:ChemicalSubstance isaxonine CAS:4214-72-6|Drug_Central:1485 phenio.json N-(Isopropylamino)-2-pyrimidine http://purl.obolibrary.org/obo/CHEBI_134762 2_STAR
CHEBI:134767 biolink:ChemicalSubstance valnoctamide CAS:4171-13-5|Drug_Central:2802 phenio.json nirvanil|valmethamide http://purl.obolibrary.org/obo/CHEBI_134767 2_STAR
CHEBI:134776 biolink:ChemicalSubstance tisopurine CAS:5334-23-6|Drug_Central:2682 phenio.json thiopurinol http://purl.obolibrary.org/obo/CHEBI_134776 2_STAR
CHEBI:134778 biolink:ChemicalSubstance enbucrilate CAS:6606-65-1|Drug_Central:3056 phenio.json butyl alpha-cyanoacrylate|butyl cyanoacrylate|histacryl blue|indermil|n-Butyl 2-cyanoacrylate|n-butyl cyanoacrylate http://purl.obolibrary.org/obo/CHEBI_134778 2_STAR
CHEBI:134779 biolink:ChemicalSubstance norfenefrine CAS:536-21-0|Drug_Central:1966 phenio.json DL-Norphenylephrine|metacardiol|metaoctopamine|norfenefrine HCl|norfenefrine hydrochloride|normetasympathol|normetasynephrine|normezaton|norphenephrine|norphenylephrine http://purl.obolibrary.org/obo/CHEBI_134779 2_STAR
CHEBI:134788 biolink:ChemicalSubstance oxiracetam CAS:62613-82-5|Drug_Central:2021 phenio.json hydroxypiracetam|neuromet http://purl.obolibrary.org/obo/CHEBI_134788 2_STAR
CHEBI:134792 biolink:ChemicalSubstance aminorex CAS:2207-50-3|Drug_Central:175 phenio.json aminoxafen|aminoxaphen|apiquel http://purl.obolibrary.org/obo/CHEBI_134792 2_STAR
CHEBI:134822 biolink:ChemicalSubstance oxilofrine CAS:365-26-4|Drug_Central:3286 phenio.json oxilofrine HCl|oxilofrine hydrochloride http://purl.obolibrary.org/obo/CHEBI_134822 2_STAR
CHEBI:134831 biolink:ChemicalSubstance capuride An N-acylurea in which the acyl substituent is 2-ethyl-3-methylpentanoyl. A monoureide sedative, it has a duration of hypnotic effect similar to that of the short-acting barbiturates. CAS:5579-13-5|Drug_Central:485|KEGG:D03377|PMID:19674061|PMID:29438107|PMID:4554661|PMID:4927636|Reaxys:1780788 phenio.json (2-Ethyl-3-methylvaleryl)urea|(Ethyl-sec-butylacetyl)urea|1-(2-Ethyl-3-methylpentanoyl)urea|N-carbamoyl-2-ethyl-3-methylpentanamide|capurida|capuride|capuridum http://purl.obolibrary.org/obo/CHEBI_134831 3_STAR
CHEBI:134841 biolink:ChemicalSubstance dihydralazine CAS:484-23-1|Drug_Central:884 phenio.json dihydralazin|dihydralazine sulfate|dihydrallazine|dihydrazinophthalazine|hypopresol|nepresol|nepresolin|nepressol|ophthazin|tonolysin http://purl.obolibrary.org/obo/CHEBI_134841 2_STAR
CHEBI:134846 biolink:ChemicalSubstance sabcomeline CAS:159912-53-5|Drug_Central:3536 phenio.json SB-202026-A|sabcomeline HCl|sabcomeline hydrochloride http://purl.obolibrary.org/obo/CHEBI_134846 2_STAR
CHEBI:134860 biolink:ChemicalSubstance oxophenarsine CAS:538-03-4|Drug_Central:3411 phenio.json arsenoxide|arsphenoxide|mapharsen|mapharside|metarsen|oxiarsolan|oxophenarsine HCl|oxophenarsine hydrochloride|treparsen http://purl.obolibrary.org/obo/CHEBI_134860 2_STAR
CHEBI:134870 biolink:ChemicalSubstance toloxatone A racemate consisting of equimolar amounts of (R)- and (S)-toloxatone. It is a reversible monoamine oxidase A inhibitor and antidepressant. CAS:29218-27-7|DrugBank:DB09245|Drug_Central:2702|KEGG:D02559|PMID:10371410|PMID:1221563|PMID:12659549|PMID:1352813|PMID:1424410|PMID:1546124|PMID:1546145|PMID:1705137|PMID:1843597|PMID:2353326|PMID:2365178|PMID:2768411|PMID:29844717|PMID:32935716|PMID:3634492|PMID:3810545|PMID:409416|PMID:41906|PMID:494659|PMID:551645|PMID:6520180|PMID:6633672|PMID:7200786|PMID:7884022|PMID:8094790|PMID:8436164|Patent:US4699782|Reaxys:527506|Wikipedia:Toloxatone phenio.json (5RS)-5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one|(RS)-toloxatone|Delalande 69276|Humoryl|MD 69276|MD-69276|MD69276|Perenum|rac-5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one|rac-5-(hydroxymethyl)-3-(3-methylphenyl)-2-oxazolidinone|rac-5-hydroxymethyl-3-(m-tolyl)-2-oxazolidinone|rac-toloxatone|racemic toloxatone|toloxatona|toloxatone|toloxatonum http://purl.obolibrary.org/obo/CHEBI_134870 3_STAR
CHEBI:134871 biolink:ChemicalSubstance guanoxan CAS:2165-19-7|Drug_Central:1346 phenio.json guanoxan sulfate|guanoxane http://purl.obolibrary.org/obo/CHEBI_134871 2_STAR
CHEBI:134874 biolink:ChemicalSubstance meobentine CAS:46464-11-3|Drug_Central:3340 phenio.json meobentine sulfate http://purl.obolibrary.org/obo/CHEBI_134874 2_STAR
CHEBI:134878 biolink:ChemicalSubstance fepradinol CAS:36981-91-6|Drug_Central:1168 phenio.json fepradinol hydrochloride http://purl.obolibrary.org/obo/CHEBI_134878 2_STAR
CHEBI:13488 biolink:ChemicalSubstance UDP-D-galacturonic acid phenio.json uridine 5'-[3-(D-galacturonosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_13488 3_STAR
CHEBI:134880 biolink:ChemicalSubstance melevodopa CAS:7101-51-1|Drug_Central:1673 phenio.json L-dopa methyl ester|levodopa methyl ester|levomet http://purl.obolibrary.org/obo/CHEBI_134880 2_STAR
CHEBI:134885 biolink:ChemicalSubstance albutoin CAS:830-89-7|Drug_Central:106 phenio.json euprax http://purl.obolibrary.org/obo/CHEBI_134885 2_STAR
CHEBI:134896 biolink:ChemicalSubstance tiamenidine CAS:31428-61-2|Drug_Central:2649 phenio.json thiamendidine|tiamenidine hydrochloride http://purl.obolibrary.org/obo/CHEBI_134896 2_STAR
CHEBI:134906 biolink:ChemicalSubstance cicloxilic acid A racemate comprising equal amounts of (1R,2S)- and (1S,2R)-cicloxilic acid. It is a choleretic agent that has antilithogenic activity. CAS:57808-63-6|Drug_Central:638|PMID:367682|PMID:3703340|PMID:378512|PMID:380876|PMID:41738|PMID:554041|PMID:582955|PMID:582956|PMID:582957|PMID:582958|PMID:582959|PMID:582960|PMID:582961|PMID:582962|PMID:582963|PMID:582964|PMID:582965|PMID:582966|PMID:582984|PMID:6360773|PMID:6475902|PMID:6627972|PMID:6891234|PMID:6998639|PMID:7247747|PMID:744226|PMID:748062 phenio.json Plecton|acide cicloxilique|acido cicloxilico|acidum cicloxilicum|cicloxilic acid|cis-2-hydroxy-2-phenyl-cyclohexanecarboxylic acid|cycloxilic acid|rac-(1S,2R)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid|rac-(1S,2R)-2-hydroxy-2-phenylcyclohexanecarboxylic acid|rac-cicloxilic acid|racemic cicloxilic acid http://purl.obolibrary.org/obo/CHEBI_134906 3_STAR
CHEBI:134907 biolink:ChemicalSubstance lidamidine CAS:66871-56-5|Drug_Central:1578 phenio.json WHR-1142A|lidamidine HCl|lidamidine hydrochloride|lidamidine monohydrochloride http://purl.obolibrary.org/obo/CHEBI_134907 2_STAR
CHEBI:134918 biolink:ChemicalSubstance toliprolol CAS:2933-94-0|Drug_Central:3616 phenio.json KO-592|doberol|racemic toliprolol http://purl.obolibrary.org/obo/CHEBI_134918 2_STAR
CHEBI:134921 biolink:ChemicalSubstance nifenalol CAS:7413-36-7|Drug_Central:3380 phenio.json isophenethanol|racemic nifenalol http://purl.obolibrary.org/obo/CHEBI_134921 2_STAR
CHEBI:134929 biolink:ChemicalSubstance nimorazole CAS:6506-37-2|Drug_Central:1938 phenio.json naxofem|naxogin|nimorazol|nitrimidazine|nulogyl http://purl.obolibrary.org/obo/CHEBI_134929 2_STAR
CHEBI:134932 biolink:ChemicalSubstance dimetofrine CAS:22950-29-4|Drug_Central:909 phenio.json anassicol|dimethophrine|dimetrophine http://purl.obolibrary.org/obo/CHEBI_134932 2_STAR
CHEBI:134936 biolink:ChemicalSubstance pemirolast CAS:69372-19-6|Drug_Central:2074|HMDB:HMDB0015023 phenio.json alamast|alegysal|pemirolast potassium|potassium pemirolast http://purl.obolibrary.org/obo/CHEBI_134936 2_STAR
CHEBI:134938 biolink:ChemicalSubstance ozagrel CAS:82571-53-7|Drug_Central:2043 phenio.json OKY-046|domenan|ozagrel HCl|ozagrel hydrochloride|ozagrel hydrochloride hydrate|ozagrel sodium|pulmoza|sodium ozagrel|xanbon http://purl.obolibrary.org/obo/CHEBI_134938 2_STAR
CHEBI:134955 biolink:ChemicalSubstance azapetine CAS:146-36-1|Drug_Central:265 phenio.json Ro-2-3248|azapetine phosphate|ilidar|ilidar phosphate|peridil http://purl.obolibrary.org/obo/CHEBI_134955 2_STAR
CHEBI:134958 biolink:ChemicalSubstance thioacetazone CAS:104-06-3|Drug_Central:2631 phenio.json ambathizon|amithiozone|benthiozone|benzothiozane|benzothiozon|thiacetazone|thiocarbazil|thiocarbazyl http://purl.obolibrary.org/obo/CHEBI_134958 2_STAR
CHEBI:134966 biolink:ChemicalSubstance rufinamide CAS:106308-44-5|Drug_Central:3534 phenio.json CGP 33101|CGP-33101|banzel|inovelon http://purl.obolibrary.org/obo/CHEBI_134966 2_STAR
CHEBI:13497 biolink:ChemicalSubstance UDP-alpha-D-glucosamine A UDP-amino sugar having alpha-D-glucosamine as the amino-sugar component. KEGG:C02200 phenio.json UDPglucosamine|uridine 5'-[3-(2-amino-2-deoxyglucopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_13497 3_STAR
CHEBI:134972 biolink:ChemicalSubstance flosequinan CAS:76568-02-0|Drug_Central:1182 phenio.json flosequinon|manoplax http://purl.obolibrary.org/obo/CHEBI_134972 2_STAR
CHEBI:134975 biolink:ChemicalSubstance fluindione CAS:957-56-2|Drug_Central:1194 phenio.json previscan http://purl.obolibrary.org/obo/CHEBI_134975 2_STAR
CHEBI:134979 biolink:ChemicalSubstance budralazine CAS:36798-79-5|Drug_Central:421 phenio.json budralazine HCl|budralazine hydrochloride|budralazine monohydrochloride|buterazine http://purl.obolibrary.org/obo/CHEBI_134979 2_STAR
CHEBI:134983 biolink:ChemicalSubstance enfenamic acid CAS:23049-93-6|Drug_Central:3176 phenio.json tromaril http://purl.obolibrary.org/obo/CHEBI_134983 2_STAR
CHEBI:134989 biolink:ChemicalSubstance taribavirin CAS:119567-79-2|Drug_Central:3582 phenio.json ribamidine|taribavirin HCl|taribavirin hydrochloride|viramidine http://purl.obolibrary.org/obo/CHEBI_134989 2_STAR
CHEBI:134990 biolink:ChemicalSubstance agomelatine CAS:138112-76-2|Drug_Central:99|HMDB:HMDB0015636 phenio.json S-20098|S20098|thymanax|valdoxan http://purl.obolibrary.org/obo/CHEBI_134990 2_STAR
CHEBI:134991 biolink:ChemicalSubstance frovatriptan CAS:158747-02-5|Drug_Central:1251|HMDB:HMDB0015133 phenio.json (R)-Frovatriptan|SB 209509|VML251|frovatriptan succinate|frovatriptan succinate hydrate http://purl.obolibrary.org/obo/CHEBI_134991 2_STAR
CHEBI:135004 biolink:ChemicalSubstance nefiracetam CAS:77191-36-7|Drug_Central:3376 phenio.json DM 9384|DM-9384|translon http://purl.obolibrary.org/obo/CHEBI_135004 2_STAR
CHEBI:135005 biolink:ChemicalSubstance milnacipran CAS:92623-85-3|Drug_Central:1808 phenio.json (+/-)-Milnacipran|midalcipran|milnacipran HCl|milnacipran hydrochloride http://purl.obolibrary.org/obo/CHEBI_135005 2_STAR
CHEBI:135010 biolink:ChemicalSubstance enoximone CAS:77671-31-9|Drug_Central:1014|HMDB:HMDB0015599 phenio.json fenoximone http://purl.obolibrary.org/obo/CHEBI_135010 2_STAR
CHEBI:135013 biolink:ChemicalSubstance trimecaine CAS:616-68-2|Drug_Central:3633 phenio.json diethylglycinemesidide|mesdicain|mesidicaine|trimecain http://purl.obolibrary.org/obo/CHEBI_135013 2_STAR
CHEBI:135014 biolink:ChemicalSubstance erdosteine CAS:84611-23-4|Drug_Central:1041 phenio.json dithiosteine http://purl.obolibrary.org/obo/CHEBI_135014 2_STAR
CHEBI:135019 biolink:ChemicalSubstance olprinone CAS:106730-54-5|Drug_Central:1987 phenio.json E-1020|loprinone|olprinone HCl|olprinone hydrochloride|olprinone hydrochloride hydrate http://purl.obolibrary.org/obo/CHEBI_135019 2_STAR
CHEBI:135026 biolink:ChemicalSubstance xibenolol CAS:30187-90-7|Drug_Central:3657 phenio.json http://purl.obolibrary.org/obo/CHEBI_135026 2_STAR
CHEBI:135028 biolink:ChemicalSubstance pirprofen CAS:31793-07-4|Drug_Central:2213 phenio.json racemic pirprofen|rengasil http://purl.obolibrary.org/obo/CHEBI_135028 2_STAR
CHEBI:135046 biolink:ChemicalSubstance tofenacin CAS:15301-93-6|Drug_Central:2692|HMDB:HMDB0060632 phenio.json demethylorphenadrine|elamol|tofenacin HCl|tofenacin hydrochloride|tofenacin monohydrochloride|tofenacine http://purl.obolibrary.org/obo/CHEBI_135046 2_STAR
CHEBI:135048 biolink:ChemicalSubstance dimemorfan CAS:36309-01-0|Drug_Central:900 phenio.json dimemorfan phosphate|dimemorphan http://purl.obolibrary.org/obo/CHEBI_135048 2_STAR
CHEBI:135057 biolink:ChemicalSubstance clorindione CAS:1146-99-2|Drug_Central:3111 phenio.json chlophenadione|chlorathrombon|chlorindion|chlorindione|chlorphenadione|chlorphenindione|chlorphenindone|chlorphenylindandione http://purl.obolibrary.org/obo/CHEBI_135057 2_STAR
CHEBI:135063 biolink:ChemicalSubstance glycerylphosphorylcholine CAS:563-24-6|Drug_Central:3906 phenio.json glycerol phosphorylcholine|glycerophosphocholine|glycerophosphoric acid choline ester|glycerophosphorylcholine|glycerylphosphocholine http://purl.obolibrary.org/obo/CHEBI_135063 2_STAR
CHEBI:135076 biolink:ChemicalSubstance setiptiline A tetracyclic antidepressant that is 2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine carrying a methyl group at position 2. Its maleate salt is used for the treatment of depression in Japan. CAS:57262-94-9|Chemspider:5016|DrugBank:DB09304|Drug_Central:2438|KEGG:D08511|LINCS:LSM-45982|PMID:12935454|PMID:1942625|PMID:2045013|PMID:2881854|PMID:32285503|PMID:3774630|PMID:3792961|PMID:8048280|PMID:8968382|PMID:9737336|Patent:CN101851201|Patent:US2006039867|Reaxys:1650422|Wikipedia:Setiptiline phenio.json 2,3,4,9-tetrahydro-2-methyl-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine|2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine|MO 8282|MO-8282|Org 8282|Org-8282|setiptilina|setiptiline|setiptilinum|teciptilline http://purl.obolibrary.org/obo/CHEBI_135076 3_STAR
CHEBI:135078 biolink:ChemicalSubstance cicletanine CAS:89943-82-8|Drug_Central:634 phenio.json (+/-)-Cicletanine|cicletanide|cycletanide http://purl.obolibrary.org/obo/CHEBI_135078 2_STAR
CHEBI:135089 biolink:ChemicalSubstance propacetamol CAS:66532-85-2|Drug_Central:2290 phenio.json proparacetamol http://purl.obolibrary.org/obo/CHEBI_135089 2_STAR
CHEBI:135122 biolink:ChemicalSubstance delmopinol CAS:79874-76-3|Drug_Central:3131 phenio.json decapinol|delmopinol HCl|delmopinol hydrochloride http://purl.obolibrary.org/obo/CHEBI_135122 2_STAR
CHEBI:135123 biolink:ChemicalSubstance bupranolol CAS:14556-46-8|Drug_Central:433|HMDB:HMDB0015697 phenio.json (+/-)-Bupranolol|bupranol|bupranolol HCl|bupranolol hydrochloride http://purl.obolibrary.org/obo/CHEBI_135123 2_STAR
CHEBI:135127 biolink:ChemicalSubstance pilsicainide A secondary carboxamide resulting from the formal condensation of the amino group of 2,6-dimethylaniline with the carboxy group of (tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetic acid. It is a sodium channel blocker which is used as an antiarrhythmic drug for the management of atrial tachyarrhythmias in Japan. CAS:88069-67-4|DrugBank:DB12712|Drug_Central:2167|KEGG:D08377|PMID:15988120|PMID:16723783|PMID:17112301|PMID:18642016|PMID:20205487|PMID:20590641|PMID:21869589|PMID:22333385|PMID:22466963|PMID:24480637|PMID:24653743|PMID:27920831|PMID:28364267|PMID:28607619|PMID:28765762|PMID:30028738|PMID:6089001|Wikipedia:Pilsicainide phenio.json N-(2,6-dimethylphenyl)-2-(tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetamide|pilsicainida|pilsicainide|pilsicainidum|pilzicainide http://purl.obolibrary.org/obo/CHEBI_135127 3_STAR
CHEBI:135136 biolink:ChemicalSubstance nifuroxazide CAS:965-52-6|Drug_Central:1928 phenio.json dicoferin|nifuroxazid|pentofuryl http://purl.obolibrary.org/obo/CHEBI_135136 2_STAR
CHEBI:135155 biolink:ChemicalSubstance acecarbromal CAS:77-66-7|Drug_Central:42 phenio.json acetcarbromal|acetylcarbromal|paxarel http://purl.obolibrary.org/obo/CHEBI_135155 2_STAR
CHEBI:135156 biolink:ChemicalSubstance ramosetron CAS:132036-88-5|Drug_Central:2357 phenio.json ibsetron|ibsetron HCl|ibsetron hydrochloride|irribow|ramosetron HCl|ramosetron hydrochloride http://purl.obolibrary.org/obo/CHEBI_135156 2_STAR
CHEBI:135168 biolink:ChemicalSubstance terodiline CAS:15793-40-5|Drug_Central:2603|HMDB:HMDB0240275 phenio.json dl-Terodiline|terodiline HCl|terodiline hydrochloride http://purl.obolibrary.org/obo/CHEBI_135168 2_STAR
CHEBI:135172 biolink:ChemicalSubstance trolnitrate CAS:7077-34-1|Drug_Central:2770 phenio.json aminotrate|etamin|nitranole|nitranolum|nitretamine|triethanolamine trinitrate|trolnitrat|trolnitrate phosphate http://purl.obolibrary.org/obo/CHEBI_135172 2_STAR
CHEBI:135177 biolink:ChemicalSubstance iprindole CAS:5560-72-5|Drug_Central:1478 phenio.json pramindole http://purl.obolibrary.org/obo/CHEBI_135177 2_STAR
CHEBI:135179 biolink:ChemicalSubstance bromebric acid CAS:5711-40-0|Drug_Central:400 phenio.json mebryl|sodium bromebrate http://purl.obolibrary.org/obo/CHEBI_135179 2_STAR
CHEBI:135187 biolink:ChemicalSubstance thenalidine CAS:86-12-4|Drug_Central:2617 phenio.json thenaldine|thenalidin|thenophenopiperidine http://purl.obolibrary.org/obo/CHEBI_135187 2_STAR
CHEBI:135192 biolink:ChemicalSubstance chlorproguanil CAS:537-21-3|Drug_Central:620 phenio.json http://purl.obolibrary.org/obo/CHEBI_135192 2_STAR
CHEBI:135200 biolink:ChemicalSubstance adrafinil CAS:63547-13-7|Drug_Central:95 phenio.json CRL-40028|adrafinyl|benzhydrylsulfinylacetohydroxamic acid|olmifon http://purl.obolibrary.org/obo/CHEBI_135200 2_STAR
CHEBI:135204 biolink:ChemicalSubstance caramiphen CAS:77-22-5|Drug_Central:486 phenio.json caraminphen|caramiphen HCl|caramiphen edisilate|caramiphen hydrochloride http://purl.obolibrary.org/obo/CHEBI_135204 2_STAR
CHEBI:135209 biolink:ChemicalSubstance procaterol CAS:72332-33-3|Drug_Central:2273 phenio.json (+/-)-Procaterol|(R,S)-Procaterol http://purl.obolibrary.org/obo/CHEBI_135209 2_STAR
CHEBI:135212 biolink:ChemicalSubstance befunolol CAS:39552-01-7|Drug_Central:295 phenio.json befunolol HCl|befunolol hydrochloride|bentos http://purl.obolibrary.org/obo/CHEBI_135212 2_STAR
CHEBI:135215 biolink:ChemicalSubstance lobenzarit CAS:63329-53-3|Drug_Central:1591 phenio.json http://purl.obolibrary.org/obo/CHEBI_135215 2_STAR
CHEBI:135217 biolink:ChemicalSubstance cloranolol CAS:39563-28-5|Drug_Central:710 phenio.json chloranolol|tobanum http://purl.obolibrary.org/obo/CHEBI_135217 2_STAR
CHEBI:135222 biolink:ChemicalSubstance dimetindene CAS:5636-83-9|Drug_Central:903|HMDB:HMDB0015691 phenio.json dimethindene|dimethindene maleate|dimetindene maleate http://purl.obolibrary.org/obo/CHEBI_135222 2_STAR
CHEBI:135223 biolink:ChemicalSubstance perfosfamide CAS:62435-42-1|Drug_Central:3430 phenio.json hydroperoxycyclofosfamide http://purl.obolibrary.org/obo/CHEBI_135223 2_STAR
CHEBI:135224 biolink:ChemicalSubstance amitriptylinoxide CAS:4317-14-0|Drug_Central:181 phenio.json amitriptyline N-oxide|amitriptyline oxide http://purl.obolibrary.org/obo/CHEBI_135224 2_STAR
CHEBI:135228 biolink:ChemicalSubstance budipine CAS:57982-78-2|Drug_Central:420 phenio.json http://purl.obolibrary.org/obo/CHEBI_135228 2_STAR
CHEBI:135235 biolink:ChemicalSubstance tiadenol CAS:6964-20-1|Drug_Central:2647 phenio.json finlipol|fonlipol|thiadenol|tiaterol http://purl.obolibrary.org/obo/CHEBI_135235 2_STAR
CHEBI:135244 biolink:ChemicalSubstance tertatolol CAS:83688-84-0|Drug_Central:2605|HMDB:HMDB0042026 phenio.json dl-Tertatolol http://purl.obolibrary.org/obo/CHEBI_135244 2_STAR
CHEBI:135254 biolink:ChemicalSubstance fenclofenac CAS:34645-84-6|Drug_Central:1147 phenio.json fenclofenac sodium|flenac http://purl.obolibrary.org/obo/CHEBI_135254 2_STAR
CHEBI:135272 biolink:ChemicalSubstance etifoxine CAS:21715-46-8|Drug_Central:1099 phenio.json etafenoxine|etafenoxine hydrochloride|etifoxin|etifoxine hydrochloride http://purl.obolibrary.org/obo/CHEBI_135272 2_STAR
CHEBI:135276 biolink:ChemicalSubstance dihydrocodeine CAS:125-28-0|Drug_Central:886 phenio.json codhydrine|cohydrin|dehacodin|dihydrocodeine bitartrate|dihydrocodeine phosphate|dihydroneopine|hydrocodeine|hydrocodin|parzone bitartrate http://purl.obolibrary.org/obo/CHEBI_135276 2_STAR
CHEBI:135278 biolink:ChemicalSubstance terizidone CAS:25683-71-0|Drug_Central:2602 phenio.json terivalidin|terizidon http://purl.obolibrary.org/obo/CHEBI_135278 2_STAR
CHEBI:135283 biolink:ChemicalSubstance methenolone CAS:153-00-4|Drug_Central:1743|HMDB:HMDB0041928 phenio.json metenolone|methenolon http://purl.obolibrary.org/obo/CHEBI_135283 2_STAR
CHEBI:135285 biolink:ChemicalSubstance vildagliptin CAS:274901-16-5|Drug_Central:3642|HMDB:HMDB0015596 phenio.json NVP-LAF237|galvus|jalra|vildagliptin HCl|vildagliptin hydrochloride|xiliarx http://purl.obolibrary.org/obo/CHEBI_135285 2_STAR
CHEBI:135288 biolink:ChemicalSubstance chlorphenoxamine CAS:77-38-3|Drug_Central:617|HMDB:HMDB0240223 phenio.json chlorphenoxamine hydrochloride http://purl.obolibrary.org/obo/CHEBI_135288 2_STAR
CHEBI:135291 biolink:ChemicalSubstance tilisolol CAS:85136-71-6|Drug_Central:2665 phenio.json selecal|tilisolol HCl|tilisolol hydrochloride http://purl.obolibrary.org/obo/CHEBI_135291 2_STAR
CHEBI:135292 biolink:ChemicalSubstance quinupramine CAS:31721-17-2|Drug_Central:2348 phenio.json kevopril|kinupril|quinupramine HCl|quinupramine hydrochloride|quinupramine monohydrochloride|quinupramine tartrate http://purl.obolibrary.org/obo/CHEBI_135292 2_STAR
CHEBI:135293 biolink:ChemicalSubstance mesterolone CAS:1424-00-6|Drug_Central:3342|HMDB:HMDB0006036 phenio.json androviron|mesteranum|mestoranum http://purl.obolibrary.org/obo/CHEBI_135293 2_STAR
CHEBI:135295 biolink:ChemicalSubstance delorazepam CAS:2894-67-9|Drug_Central:800 phenio.json chlordemethyldiazepam|chlordesmethyldiazepam|chlorodesmethyldiazepam http://purl.obolibrary.org/obo/CHEBI_135295 2_STAR
CHEBI:135297 biolink:ChemicalSubstance bucumolol CAS:58409-59-9|Drug_Central:418 phenio.json CS-359|bucumolol HCl|bucumolol hydrochloride http://purl.obolibrary.org/obo/CHEBI_135297 2_STAR
CHEBI:135314 biolink:ChemicalSubstance indecainide CAS:74517-78-5|Drug_Central:1434|HMDB:HMDB0014338 phenio.json decabid|indecainide HCl|indecainide hydrochloride|ricainide http://purl.obolibrary.org/obo/CHEBI_135314 2_STAR
CHEBI:135316 biolink:ChemicalSubstance liarozole CAS:115575-11-6|Drug_Central:3321 phenio.json R-75251|liarozole HCl|liarozole fumarate|liarozole hydrochloride|liarozole monohydrochloride http://purl.obolibrary.org/obo/CHEBI_135316 2_STAR
CHEBI:135322 biolink:ChemicalSubstance cetamolol CAS:34919-98-7|Drug_Central:3079 phenio.json cetamolol HCl|cetamolol hydrochloride http://purl.obolibrary.org/obo/CHEBI_135322 2_STAR
CHEBI:135323 biolink:ChemicalSubstance gestodene CAS:60282-87-3|Drug_Central:1291|HMDB:HMDB0015668 phenio.json gestinol http://purl.obolibrary.org/obo/CHEBI_135323 2_STAR
CHEBI:135335 biolink:ChemicalSubstance artemotil CAS:75887-54-6|Drug_Central:246 phenio.json arteether|dihydroartemisinin ethyl ether|dihydroqinghaosu ethyl ether http://purl.obolibrary.org/obo/CHEBI_135335 2_STAR
CHEBI:135338 biolink:ChemicalSubstance guggulsterone CAS:95975-55-6|Drug_Central:3953 phenio.json Z/E-Guggulsterone http://purl.obolibrary.org/obo/CHEBI_135338 2_STAR
CHEBI:13534 biolink:ChemicalSubstance acyl-carrier protein phenio.json ACP http://purl.obolibrary.org/obo/CHEBI_13534 3_STAR
CHEBI:135340 biolink:ChemicalSubstance benorilate CAS:5003-48-5|Drug_Central:310 phenio.json benoral|benortan|benorylate|fenasprate|quinexin http://purl.obolibrary.org/obo/CHEBI_135340 2_STAR
CHEBI:135342 biolink:ChemicalSubstance reboxetine CAS:71620-89-8|Drug_Central:2361 phenio.json edronax|norebox|reboxetine mesilate|reboxetine mesylate|reboxitine http://purl.obolibrary.org/obo/CHEBI_135342 2_STAR
CHEBI:135343 biolink:ChemicalSubstance oxyfedrine CAS:15687-41-9|Drug_Central:2030 phenio.json oxyfedrin|oxyfedrine HCl|oxyfedrine hydrochloride|oxyphedrine http://purl.obolibrary.org/obo/CHEBI_135343 2_STAR
CHEBI:135349 biolink:ChemicalSubstance mitiglinide CAS:145375-43-5|Drug_Central:1818 phenio.json KAD-1229|S 21403|mitiglinide calcium|mitiglinide calcium hydrate http://purl.obolibrary.org/obo/CHEBI_135349 2_STAR
CHEBI:135351 biolink:ChemicalSubstance rotigotine CAS:99755-59-6|Drug_Central:2407 phenio.json (S)-(-)-Rotigotine|leganto|neupro http://purl.obolibrary.org/obo/CHEBI_135351 2_STAR
CHEBI:135357 biolink:ChemicalSubstance zimeldine CAS:56775-88-3|Drug_Central:2863 phenio.json cis-Zimelidine|zimeldine hydrochloride hydrate|zimelidine|zimelidine HCl|zimelidine dihydrochloride|zimelidine dihydrochloride hydrate|zimelidine dihydrochloride monohydrate|zimelidine hydrochloride http://purl.obolibrary.org/obo/CHEBI_135357 2_STAR
CHEBI:135359 biolink:ChemicalSubstance denopamine CAS:71771-90-9|Drug_Central:806 phenio.json carguto|kalgut http://purl.obolibrary.org/obo/CHEBI_135359 2_STAR
CHEBI:135361 biolink:ChemicalSubstance methscopolamine CAS:13265-10-6|Drug_Central:1757|HMDB:HMDB0014605 phenio.json N-Methylhyoscine|N-Methylscopolamine|methscopolamine bromide|methscopolamine nitrate|methylscopolamine|methylscopolamine bromide http://purl.obolibrary.org/obo/CHEBI_135361 2_STAR
CHEBI:135370 biolink:ChemicalSubstance aprindine CAS:37640-71-4|Drug_Central:231|HMDB:HMDB0015498 phenio.json amidonal|aprindin|aprindine HCl|aprindine hydrochloride|aprinidine|fiboran http://purl.obolibrary.org/obo/CHEBI_135370 2_STAR
CHEBI:135377 biolink:ChemicalSubstance cicloprolol CAS:94651-09-9|Drug_Central:637 phenio.json cicloprolol HCl|cicloprolol hydrochloride|cycloprolol http://purl.obolibrary.org/obo/CHEBI_135377 2_STAR
CHEBI:135406 biolink:ChemicalSubstance bornaprine CAS:20448-86-6|Drug_Central:390 phenio.json bornaprine HCl|bornaprine hydrochloride http://purl.obolibrary.org/obo/CHEBI_135406 2_STAR
CHEBI:135418 biolink:ChemicalSubstance oxitropium CAS:99571-64-9|Drug_Central:2022 phenio.json oxitropium bromide|oxitropium iodide|oxytropium bromide http://purl.obolibrary.org/obo/CHEBI_135418 2_STAR
CHEBI:135422 biolink:ChemicalSubstance progabide CAS:62666-20-0|Drug_Central:2278 phenio.json gabren|gabrene|halogabide http://purl.obolibrary.org/obo/CHEBI_135422 2_STAR
CHEBI:135436 biolink:ChemicalSubstance pirmenol CAS:68252-19-7|Drug_Central:2207|KEGG:D08394|PMID:1375681|PMID:1381764|PMID:1708056|PMID:1959843|PMID:2019027|PMID:2164163|PMID:2352380|PMID:2438922|PMID:2466056|PMID:3281517|PMID:3281518|PMID:3392237|PMID:7053896|PMID:7371711|PMID:7952796 phenio.json pirmenol|pirmenolum|racemic pirmenol http://purl.obolibrary.org/obo/CHEBI_135436 2_STAR
CHEBI:135440 biolink:ChemicalSubstance rociverine CAS:53716-44-2|Drug_Central:2395 phenio.json rilaten http://purl.obolibrary.org/obo/CHEBI_135440 2_STAR
CHEBI:135445 biolink:ChemicalSubstance canrenone CAS:976-71-6|Drug_Central:478|HMDB:HMDB0003033 phenio.json aldadiene|phanurane http://purl.obolibrary.org/obo/CHEBI_135445 2_STAR
CHEBI:135459 biolink:ChemicalSubstance clorotepine CAS:13448-22-1|Drug_Central:3912 phenio.json (+/-)-Clothepin|chlorothepin|clotepin|clothepin|octoclothepin|octoclothepine http://purl.obolibrary.org/obo/CHEBI_135459 2_STAR
CHEBI:135466 biolink:ChemicalSubstance nafamostat CAS:81525-10-2|Drug_Central:1867 phenio.json FUT-175|nafamostat HCl|nafamostat dihydrochloride|nafamostat hydrochloride|nafamostat mesilate|nafamostat mesylate|nafamstat|ronastat http://purl.obolibrary.org/obo/CHEBI_135466 2_STAR
CHEBI:135470 biolink:ChemicalSubstance indoramin CAS:26844-12-2|Drug_Central:1443 phenio.json Wy 21901|Wy-21901|Wy21901|indoramine http://purl.obolibrary.org/obo/CHEBI_135470 2_STAR
CHEBI:135479 biolink:ChemicalSubstance dipipanone CAS:467-83-4|Drug_Central:921 phenio.json dipipanon|piperidylamidone http://purl.obolibrary.org/obo/CHEBI_135479 2_STAR
CHEBI:135483 biolink:ChemicalSubstance pipoxolan CAS:23744-24-3|Drug_Central:2194 phenio.json http://purl.obolibrary.org/obo/CHEBI_135483 2_STAR
CHEBI:135486 biolink:ChemicalSubstance posatirelin CAS:78664-73-0|Drug_Central:3484 phenio.json RGH-2202|posatireline|pyladox http://purl.obolibrary.org/obo/CHEBI_135486 2_STAR
CHEBI:135491 biolink:ChemicalSubstance acetylmethadol CAS:509-74-0|Drug_Central:1729|HMDB:HMDB0015502 phenio.json acemethadone|acetmethadon|acetylmethadone|methadyl|methadyl acetate http://purl.obolibrary.org/obo/CHEBI_135491 2_STAR
CHEBI:135499 biolink:ChemicalSubstance xipamide CAS:14293-44-8|Drug_Central:2853 phenio.json chronexan|diurex|diurexan http://purl.obolibrary.org/obo/CHEBI_135499 2_STAR
CHEBI:135507 biolink:ChemicalSubstance dopexamine CAS:86197-47-9|Drug_Central:948|HMDB:HMDB0041882 phenio.json http://purl.obolibrary.org/obo/CHEBI_135507 2_STAR
CHEBI:135511 biolink:ChemicalSubstance rebeccamycin An N-glycosyl compound consisting of a heteropolycyclic ring system with a glucosyl group attached to one of the indolic nitrogens. Beilstein:4732638|CAS:93908-02-2 phenio.json 1,11-dichloro-12-(4-O-methyl-beta-D-glucopyranosyl)-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione|rebeccamycin http://purl.obolibrary.org/obo/CHEBI_135511 3_STAR
CHEBI:135514 biolink:ChemicalSubstance chlorisondamine CAS:69-27-2|Drug_Central:598 phenio.json chlorisondamin|chlorisondamine chloride|ecolid|ecolid chloride|hisindamon http://purl.obolibrary.org/obo/CHEBI_135514 2_STAR
CHEBI:135525 biolink:ChemicalSubstance carbocromen CAS:804-10-4|Drug_Central:3098 phenio.json carbochromen|carbochromene|carbocromene|chromonar|chromonar HCl|chromonar hydrochloride http://purl.obolibrary.org/obo/CHEBI_135525 2_STAR
CHEBI:135531 biolink:ChemicalSubstance dexetimide CAS:21888-98-2|Drug_Central:831 phenio.json dexbenzetimide http://purl.obolibrary.org/obo/CHEBI_135531 2_STAR
CHEBI:135544 biolink:ChemicalSubstance ilaprazole CAS:172152-36-2|Drug_Central:3961 phenio.json IY 81149|IY-81149|IY81149|noltec http://purl.obolibrary.org/obo/CHEBI_135544 2_STAR
CHEBI:135550 biolink:ChemicalSubstance phenoperidine CAS:562-26-5|Drug_Central:3441 phenio.json fenoperidina|fenoperidine|phenoperidin|phenoperidine HCl|phenoperidine hydrochloride http://purl.obolibrary.org/obo/CHEBI_135550 2_STAR
CHEBI:135552 biolink:ChemicalSubstance prucalopride CAS:179474-81-8|Drug_Central:3502 phenio.json R093877|prucalopride succinate|resolor http://purl.obolibrary.org/obo/CHEBI_135552 2_STAR
CHEBI:135554 biolink:ChemicalSubstance pyritinol CAS:1098-97-1|Drug_Central:2333 phenio.json Vitamin B6 disulfide|bonifen|dipyridoxolyl disulfide|encefabol|piritinol|pyridoxine disulfide|pyrithioxin http://purl.obolibrary.org/obo/CHEBI_135554 2_STAR
CHEBI:135560 biolink:ChemicalSubstance prajmalium CAS:35080-11-6|Drug_Central:2230 phenio.json N-Propylajmaline|N-Propylajmalinium|N4-Propylajmalinium|prajmaline|prajmaline bitartrate http://purl.obolibrary.org/obo/CHEBI_135560 2_STAR
CHEBI:135566 biolink:ChemicalSubstance rimexolone CAS:49697-38-3|Drug_Central:2384 phenio.json rimexel|trimexolone http://purl.obolibrary.org/obo/CHEBI_135566 2_STAR
CHEBI:135569 biolink:ChemicalSubstance arotinolol CAS:68377-92-4|Drug_Central:243 phenio.json arotinolol HCl|arotinolol hydrochloride http://purl.obolibrary.org/obo/CHEBI_135569 2_STAR
CHEBI:135574 biolink:ChemicalSubstance nabilone CAS:51022-71-0|Drug_Central:1862 phenio.json LY 109514|LY-109514|cesamet http://purl.obolibrary.org/obo/CHEBI_135574 2_STAR
CHEBI:135576 biolink:ChemicalSubstance bunazosin CAS:80755-51-7|Drug_Central:429 phenio.json bunazosin HCl|bunazosin hydrochloride|detantol http://purl.obolibrary.org/obo/CHEBI_135576 2_STAR
CHEBI:135578 biolink:ChemicalSubstance cicaprost CAS:94079-80-8|Drug_Central:631 phenio.json ZK-96480|cicaprost betadex|cicaprost dihydrochloride http://purl.obolibrary.org/obo/CHEBI_135578 2_STAR
CHEBI:135581 biolink:ChemicalSubstance fluocortolone CAS:152-97-6|Drug_Central:1206 phenio.json flucortolone|fluocortolon http://purl.obolibrary.org/obo/CHEBI_135581 2_STAR
CHEBI:135585 biolink:ChemicalSubstance sulfinalol CAS:66264-77-5|Drug_Central:3568 phenio.json sulfinalol HCl|sulfinalol hydrochloride http://purl.obolibrary.org/obo/CHEBI_135585 2_STAR
CHEBI:135589 biolink:ChemicalSubstance etoperidone CAS:52942-31-1|Drug_Central:1111 phenio.json clopradone|etoperidone HCl|etoperidone hydrochloride|triazolinone http://purl.obolibrary.org/obo/CHEBI_135589 2_STAR
CHEBI:135590 biolink:ChemicalSubstance ambroxol CAS:18683-91-5|Drug_Central:147 phenio.json ambroxils|ambroxol HCl|ambroxol hydrochloride|lasolvan http://purl.obolibrary.org/obo/CHEBI_135590 2_STAR
CHEBI:135594 biolink:ChemicalSubstance limaprost CAS:74397-12-9|Drug_Central:1581 phenio.json http://purl.obolibrary.org/obo/CHEBI_135594 2_STAR
CHEBI:135600 biolink:ChemicalSubstance veralipride CAS:66644-81-3|Drug_Central:2814 phenio.json (+/-)-Veralipride http://purl.obolibrary.org/obo/CHEBI_135600 2_STAR
CHEBI:135627 biolink:ChemicalSubstance quinagolide CAS:87056-78-8|Drug_Central:2339 phenio.json norprolac http://purl.obolibrary.org/obo/CHEBI_135627 2_STAR
CHEBI:135628 biolink:ChemicalSubstance cloricromen CAS:68206-94-0|Drug_Central:713 phenio.json AD6|cloricromen hydrochloride|cloricromene|proendotel http://purl.obolibrary.org/obo/CHEBI_135628 2_STAR
CHEBI:135632 biolink:ChemicalSubstance camostat A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients. CAS:59721-28-7|Chemspider:2440|DrugBank:DB13729|Drug_Central:471|KEGG:D07606|PMCID:PMC7809394|PMID:23412700|PMID:26166259|PMID:26887332|PMID:33176395|PMID:33225308|PMID:33505639|PMID:33564221|PMID:33676899|PMID:7341342|Wikipedia:Camostat phenio.json 4-{2-[(dimethylcarbamoyl)methoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoate|4-{2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl}phenyl 4-carbamimidamidobenzoate|N,N-dimethylcarbamoylmethyl 4-(4-guanidinobenzoyloxy)phenylacetate|camostat|camostatum http://purl.obolibrary.org/obo/CHEBI_135632 3_STAR
CHEBI:135633 biolink:ChemicalSubstance beraprost An organic heterotricyclic compound that is (3aS,8bS)-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan in which the hydrogens at positions 1R, 2R and 5 are replaced by (3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl, hydroxy and 3-carboxypropyl groups, respectively. It is a prostaglandin receptor agonist which is approved to treat pulmonary arterial hypertension in Asia. CAS:88430-50-6|Chemspider:5293169|DrugBank:DB05229|Drug_Central:343|KEGG:D02720|PMID:11411125|PMID:12821234|PMID:15006984|PMID:18378784|PMID:26734111|PMID:26825901|PMID:27461927|PMID:28231006|PMID:28399721|PMID:28476928|PMID:29755548|PMID:30276833|PMID:31008926|PMID:31158340|PMID:31189158|PMID:33235027|PMID:3913423|PMID:7596955|Wikipedia:Beraprost phenio.json 4-{(1R,2R,3aS,8bS)-2-hydroxy-1-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoic acid|MDL 201229|MDL-201229|MDL201229|ML 1229|ML-1229|ML1229|beraprost|beraprostum http://purl.obolibrary.org/obo/CHEBI_135633 3_STAR
CHEBI:135636 biolink:ChemicalSubstance fursultiamine CAS:804-30-8|Drug_Central:1259 phenio.json diteftin|fursultiamin|fursultiamine HCl|fursultiamine hydrochloride|tetrahydrofurfuryl thiamine disulfide|thiamin tetrahydrofurfuryl disulfide|thiamine tetrahydrofurfuryl disulfide http://purl.obolibrary.org/obo/CHEBI_135636 2_STAR
CHEBI:135642 biolink:ChemicalSubstance cinitapride CAS:66564-14-5|Drug_Central:652|HMDB:HMDB0015698 phenio.json cinitapride tartrate|paxapride|rogastril http://purl.obolibrary.org/obo/CHEBI_135642 2_STAR
CHEBI:135649 biolink:ChemicalSubstance alpidem CAS:82626-01-5|Drug_Central:134 phenio.json ananxyl http://purl.obolibrary.org/obo/CHEBI_135649 2_STAR
CHEBI:135652 biolink:ChemicalSubstance flunarizine CAS:52468-60-7|Drug_Central:1200|HMDB:HMDB0015589 phenio.json flunarizine HCl|flunarizine dihydrochloride|flunarizine hydrochloride|sibelium http://purl.obolibrary.org/obo/CHEBI_135652 2_STAR
CHEBI:135654 biolink:ChemicalSubstance imidapril A member of the class of imidazolidines that is (4S)-1-methyl-2-oxoimidazolidine-4-carboxylic acid in which the hydrogen of the imidazolidine nitrogen has been substituted by (1S)-1-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}ethyl group. It is the prodrug for imidaprilat, an ACE inhibitor used for the treatment of chronic heart failure. CAS:89371-37-9|CBA:639749|DrugBank:DB11783|Drug_Central:1424|HMDB:HMDB0041907|KEGG:D08068|PMID:17094051|PMID:20364557|PMID:23161146|PMID:28044266|Reaxys:4847938|VSDB:1837|Wikipedia:Imidapril phenio.json (4S)-1-methyl-3-[(2S)-2-[N-((1S)-1-ethoxycarbonyl-3-phenylpropyl)amino]propionyl]-2-oxo-imidazolidine-4-carboxylic acid|(4S)-3-{N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl}-1-methyl-2-oxoimidazolidine-4-carboxylic acid|(S)-3-(N-((S)-1-Ethoxycarbonyl-3-phenylpropyl)-L-alanyl)-1-methyl-2-oxoimidazoline-4-carboxylic acid|imidapril|imidaprilum|tanatril http://purl.obolibrary.org/obo/CHEBI_135654 3_STAR
CHEBI:135660 biolink:ChemicalSubstance omapatrilat CAS:167305-00-2|Drug_Central:1989 phenio.json BMS-186716 http://purl.obolibrary.org/obo/CHEBI_135660 2_STAR
CHEBI:135679 biolink:ChemicalSubstance levocabastine CAS:79516-68-0|Drug_Central:1564 phenio.json levocabastine HCl|levocabastine hydrochloride|levophta|livostin http://purl.obolibrary.org/obo/CHEBI_135679 2_STAR
CHEBI:135682 biolink:ChemicalSubstance mopidamol CAS:13665-88-8|Drug_Central:1838 phenio.json RA-233|rapenton http://purl.obolibrary.org/obo/CHEBI_135682 2_STAR
CHEBI:135686 biolink:ChemicalSubstance alvimopan CAS:156053-89-3|Drug_Central:143|HMDB:HMDB0015631 phenio.json LY-246736|LY246736|alvimopan anhydrous|alvimopan dihydrate|entereg http://purl.obolibrary.org/obo/CHEBI_135686 2_STAR
CHEBI:135697 biolink:ChemicalSubstance sarpogrelate CAS:125926-17-2|Drug_Central:2423 phenio.json MCI-9042|anplag|sarpogrelate HCl|sarpogrelate hydrochloride http://purl.obolibrary.org/obo/CHEBI_135697 2_STAR
CHEBI:135699 biolink:ChemicalSubstance piritramide CAS:302-41-0|Drug_Central:3478|HMDB:HMDB0041990 phenio.json dipidolor|dipiritramide|pirdolan|piridolan|pirinitramide http://purl.obolibrary.org/obo/CHEBI_135699 2_STAR
CHEBI:135702 biolink:ChemicalSubstance belotecan CAS:256411-32-2|Drug_Central:296 phenio.json CKD-602|CKD602|belotecan hydrochloride|camtobell http://purl.obolibrary.org/obo/CHEBI_135702 2_STAR
CHEBI:135704 biolink:ChemicalSubstance sivelestat CAS:127373-66-4|Drug_Central:2452 phenio.json http://purl.obolibrary.org/obo/CHEBI_135704 2_STAR
CHEBI:135710 biolink:ChemicalSubstance trimazosin CAS:35795-16-5|Drug_Central:2747 phenio.json rimazosin hydrochloride monohydrate|trimazosin HCl|trimazosin hydrochloride http://purl.obolibrary.org/obo/CHEBI_135710 2_STAR
CHEBI:135720 biolink:ChemicalSubstance deflazacort CAS:14484-47-0|Drug_Central:793 phenio.json azacort|azacortinol|calcort|dezacor|dezacort|flantadin|lantadin|oxazacort http://purl.obolibrary.org/obo/CHEBI_135720 2_STAR
CHEBI:135735 biolink:ChemicalSubstance delapril CAS:83435-66-9|Drug_Central:798 phenio.json CV-3317|alindapril|indalapril http://purl.obolibrary.org/obo/CHEBI_135735 2_STAR
CHEBI:135737 biolink:ChemicalSubstance lacidipine CAS:103890-78-4|Drug_Central:1532 phenio.json GR-43659X|lacipil|lacirex|motens http://purl.obolibrary.org/obo/CHEBI_135737 2_STAR
CHEBI:135738 biolink:ChemicalSubstance clevidipine CAS:167221-71-8|Drug_Central:674 phenio.json clevelox|cleviprex http://purl.obolibrary.org/obo/CHEBI_135738 2_STAR
CHEBI:135741 biolink:ChemicalSubstance testosterone undecanoate CAS:5949-44-0|Drug_Central:2608 phenio.json testosterone undecylate http://purl.obolibrary.org/obo/CHEBI_135741 2_STAR
CHEBI:135742 biolink:ChemicalSubstance ormeloxifene CAS:31477-60-8|Drug_Central:570 phenio.json centchroman|centron|ormeloxifen http://purl.obolibrary.org/obo/CHEBI_135742 2_STAR
CHEBI:135745 biolink:ChemicalSubstance prednisolone succinate A hemisuccinate resulting from the formal condensation of the 21-hydroxy group prednisolone with one of the carboxy groups of succinic acid. It is used to treat mild to moderate non-infectious eye allergies and inflammation, including damage caused by chemical and thermal burns. CAS:2920-86-7|DrugBank:DB14633|Drug_Central:2246|KEGG:D02156|LINCS:LSM-36396|PMID:1029643|PMID:10959575|PMID:11446168|PMID:1235505|PMID:13371916|PMID:13439215|PMID:13704303|PMID:13822491|PMID:14483331|PMID:2253583|PMID:29175410|PMID:3213042|PMID:3441354|PMID:3580023|PMID:3964328|PMID:3994138|PMID:4084667|PMID:4433653 phenio.json 11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione 21-hemisuccinate|4-[(11beta,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoic acid|Delta(1)-hydrocortisone 21-hemisuccinate|Delta(1)-hydrocortisone succinate|Prednisolut|prednisolone 21-(hydrogen succinate)|prednisolone 21-hemisuccinate|prednisolone 21-succinate|prednisolone bisuccinate|prednisolone hemisuccinate http://purl.obolibrary.org/obo/CHEBI_135745 3_STAR
CHEBI:135747 biolink:ChemicalSubstance dexloxiglumide CAS:119817-90-2|Drug_Central:834 phenio.json D-Loxiglumide http://purl.obolibrary.org/obo/CHEBI_135747 2_STAR
CHEBI:135752 biolink:ChemicalSubstance tafenoquine A racemate comprising equimolar amounts of (R)- and (S)-tafenoquine. CAS:106635-80-7|DrugBank:DB06608|Drug_Central:3578|KEGG:D10490|PMID:23701202|PMID:25663384|PMID:25870069|PMID:25891812|PMID:25921416|PMID:26187807|PMID:26195527|PMID:26500351|PMID:26610844|PMID:26888075|PMID:27405118|PMID:27528800|PMID:27697758|PMID:27855400|PMID:28043395|PMID:28214869|PMID:28319724|PMID:28495354|PMID:28495355|PMID:28526056|PMID:28749773|PMID:29121061|PMID:29677199|PMID:29869298|Reaxys:6493037|Wikipedia:Tafenoquine phenio.json Arakoda|Krintafel|WR 238,605|WR238605|etaquine|rac-N(4)-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine|tafenoquina|tafenoquine|tafenoquinum http://purl.obolibrary.org/obo/CHEBI_135752 3_STAR
CHEBI:135753 biolink:ChemicalSubstance asulacrine CAS:80841-47-0|Drug_Central:252 phenio.json amsalog http://purl.obolibrary.org/obo/CHEBI_135753 2_STAR
CHEBI:135754 biolink:ChemicalSubstance loprazolam CAS:61197-73-7|Drug_Central:1602 phenio.json loprazolam mesilate|loprazolam mesylate http://purl.obolibrary.org/obo/CHEBI_135754 2_STAR
CHEBI:135755 biolink:ChemicalSubstance sulprostone CAS:60325-46-4|Drug_Central:2538 phenio.json sulproston http://purl.obolibrary.org/obo/CHEBI_135755 2_STAR
CHEBI:135756 biolink:ChemicalSubstance spirapril CAS:83647-97-6|DrugBank:DB01348|Drug_Central:2474|HMDB:HMDB0015438|KEGG:D08529|PMID:10499560|PMID:10499561|PMID:12613273|PMID:8638865|PMID:9345854|Reaxys:4277924|Wikipedia:Spirapril phenio.json (8S)-7-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_135756 2_STAR
CHEBI:135757 biolink:ChemicalSubstance edatrexate CAS:80576-83-6|Drug_Central:986 phenio.json http://purl.obolibrary.org/obo/CHEBI_135757 2_STAR
CHEBI:135762 biolink:ChemicalSubstance methylprednisolone aceponate CAS:86401-95-8|Drug_Central:1769 phenio.json advantan http://purl.obolibrary.org/obo/CHEBI_135762 2_STAR
CHEBI:135765 biolink:ChemicalSubstance methylprednisolone succinate CAS:2921-57-5|Drug_Central:1771 phenio.json methylprednisolone hemisuccinate|methylprednisolone sodium succinate http://purl.obolibrary.org/obo/CHEBI_135765 2_STAR
CHEBI:135774 biolink:ChemicalSubstance ebrotidine CAS:100981-43-9|Drug_Central:979|HMDB:HMDB0041885 phenio.json FI-3542|ebrodin|ulsanic http://purl.obolibrary.org/obo/CHEBI_135774 2_STAR
CHEBI:135777 biolink:ChemicalSubstance (S)-nicardipine The S-enantiomer of nicardipine. CAS:76093-36-2|Chemspider:5036700|Drug_Central:5|PMID:10204680|PMID:15832820|PMID:3023614|PMID:3350056|PMID:7503807|PMID:8641321|PMID:9367206 phenio.json (+)-nicardipine|(S)-YC-93 free base|2-[benzyl(methyl)amino]ethyl methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate|S-(+)-nicardipine http://purl.obolibrary.org/obo/CHEBI_135777 3_STAR
CHEBI:135778 biolink:ChemicalSubstance clocapramine CAS:47739-98-0|Drug_Central:687 phenio.json clocapramine HCl|clocapramine hydrochloride|clocarpramine http://purl.obolibrary.org/obo/CHEBI_135778 2_STAR
CHEBI:135781 biolink:ChemicalSubstance fentonium CAS:5868-06-4|Drug_Central:1167 phenio.json fentonium bromide|phenthonium|phenthonium bromide|phentonium|phentonium bromide http://purl.obolibrary.org/obo/CHEBI_135781 2_STAR
CHEBI:135791 biolink:ChemicalSubstance prednicarbate CAS:73771-04-7|Drug_Central:2243 phenio.json prednitop http://purl.obolibrary.org/obo/CHEBI_135791 2_STAR
CHEBI:135793 biolink:ChemicalSubstance barnidipine CAS:104713-75-9|Drug_Central:290 phenio.json mepirodipine|mepirodipine hydrobromide|mepirodipine hydrochloride|vasexten http://purl.obolibrary.org/obo/CHEBI_135793 2_STAR
CHEBI:135798 biolink:ChemicalSubstance betamethasone benzoate CAS:22298-29-9|Drug_Central:351 phenio.json betamethasone 17-benzoate http://purl.obolibrary.org/obo/CHEBI_135798 2_STAR
CHEBI:135806 biolink:ChemicalSubstance benidipine CAS:105979-17-7|Drug_Central:3880 phenio.json benidipine HCl|benidipine hydrochloride|coniel http://purl.obolibrary.org/obo/CHEBI_135806 2_STAR
CHEBI:135809 biolink:ChemicalSubstance landiolol CAS:133242-30-5|Drug_Central:1545 phenio.json landiolol HCl|landiolol hydrochloride http://purl.obolibrary.org/obo/CHEBI_135809 2_STAR
CHEBI:135810 biolink:ChemicalSubstance atrasentan CAS:173937-91-2|Drug_Central:3009 phenio.json atrasentan HCl|atrasentan hydrochloride http://purl.obolibrary.org/obo/CHEBI_135810 2_STAR
CHEBI:135813 biolink:ChemicalSubstance flomoxef A second-generation oxacephem antibiotic in which the oxazine ring is substituted at C-3 with a hydroxyethyl-substituted tetrazolylthiomethyl group and the azetidinone ring carries 7alpha-methoxy and 7beta-{2-[(difluoromethyl)thiomethyl]acetamido} substituents. CAS:99665-00-6|DrugBank:DB11935|Drug_Central:1179|KEGG:D07963|PMID:12803802|PMID:18606583|PMID:25694055|PMID:26100708|PMID:26387064|PMID:28543395|PMID:29017833|Reaxys:6993219|Wikipedia:Flomoxef phenio.json (6R,7R)-7-{2-[(difluoromethyl)sulfanyl]acetamido}-3-({[1-(2-hydroxyethyl)-1H-tetrazol-5-yl]sulfanyl}methyl)-7-methoxy-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|FMOX|flomoxef|flomoxefum http://purl.obolibrary.org/obo/CHEBI_135813 3_STAR
CHEBI:135841 biolink:ChemicalSubstance antrafenine CAS:55300-29-3|Drug_Central:3677|HMDB:HMDB0015488 phenio.json antrafenine dihydrochloride|antrafenine hydrochloride|stakane http://purl.obolibrary.org/obo/CHEBI_135841 2_STAR
CHEBI:135849 biolink:ChemicalSubstance manidipine CAS:89226-50-6|Drug_Central:1631 phenio.json (+/-)-Manidipine|franidipine|manidipine HCl|manidipine dihydrochloride|manidipine hydrochloride http://purl.obolibrary.org/obo/CHEBI_135849 2_STAR
CHEBI:135853 biolink:ChemicalSubstance tirilazad CAS:110101-66-1|Drug_Central:4063 phenio.json freedox|tirilazad mesilate|tirilazad mesylate http://purl.obolibrary.org/obo/CHEBI_135853 2_STAR
CHEBI:135856 biolink:ChemicalSubstance cefbuperazone A second-generation cephamycin antibiotic having [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl and {N-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-threonyl}amino side groups located at positions 3 and 7beta respectively. CAS:76610-84-9|Drug_Central:3072|KEGG:D03423|PMID:29017833|PMID:8904147|Wikipedia:Cefbuperazone phenio.json (6R,7S)-7-({N-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(7S)-7-({N-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-threonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid|CBPZ|cefbuperazona|cefbuperazone|cefbuperazonum|cerbuperazone http://purl.obolibrary.org/obo/CHEBI_135856 3_STAR
CHEBI:135859 biolink:ChemicalSubstance efonidipine A racemate comprising of equimolar amounts of (R)- and (S)-efonidipine. It is a antihypertensive drug and a dual T-type and L-type calcium channel blocker. CAS:111011-63-3|DrugBank:DB09235|Drug_Central:992|KEGG:D07886|PMID:15545287|PMID:17917316|PMID:18719740|PMID:20520612|PMID:20558909|PMID:21757861|PMID:21897055|PMID:22210483|PMID:2241414|PMID:22563334|PMID:25462114|PMID:27553261|PMID:29748130|PMID:30981510|PMID:31669736|PMID:31979744|Wikipedia:Efonidipine phenio.json (+-)-efonidipine|NZ-105|NZ105|efonidipine|efonidipino|efonidipinum|rac-2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate|rac-efonidipine|racemic efonidipine http://purl.obolibrary.org/obo/CHEBI_135859 3_STAR
CHEBI:135863 biolink:ChemicalSubstance zorubicin CAS:54083-22-6|Drug_Central:2874 phenio.json daunomycin benzoylhydrazone|rubidazon|rubidazone http://purl.obolibrary.org/obo/CHEBI_135863 2_STAR
CHEBI:135870 biolink:ChemicalSubstance thymopentin CAS:69558-55-0|Drug_Central:2645 phenio.json thymopoietin 32-36|thymopoietin pentapeptide http://purl.obolibrary.org/obo/CHEBI_135870 2_STAR
CHEBI:135885 biolink:ChemicalSubstance metildigoxin CAS:30685-43-9|Drug_Central:1761 phenio.json 4'''-Methyldigoxin|beta-Methyldigoxin|lanirapid|lanitop|medigoxin|methyldigoxin http://purl.obolibrary.org/obo/CHEBI_135885 2_STAR
CHEBI:135888 biolink:ChemicalSubstance pimecrolimus CAS:137071-32-0|Drug_Central:2168 phenio.json elidel|picrolimus http://purl.obolibrary.org/obo/CHEBI_135888 2_STAR
CHEBI:135894 biolink:ChemicalSubstance saralasin CAS:34273-10-4|Drug_Central:3542 phenio.json aralasin|saralasin acetate|saralasin acetate hydrate http://purl.obolibrary.org/obo/CHEBI_135894 2_STAR
CHEBI:135897 biolink:ChemicalSubstance zotarolimus CAS:221877-54-9|Drug_Central:2949 phenio.json ABT-578|ABT578 http://purl.obolibrary.org/obo/CHEBI_135897 2_STAR
CHEBI:135898 biolink:ChemicalSubstance lanatoside C CAS:17575-22-3|Drug_Central:1543 phenio.json Digilanide C|Digilanogen C|Lanatigen C|allocor|cedilanid|ceglunat|ceglunate|celadigal|celanid|celanide|cetosanol|isolanid|isolanide http://purl.obolibrary.org/obo/CHEBI_135898 2_STAR
CHEBI:135899 biolink:ChemicalSubstance atosiban CAS:90779-69-4|Drug_Central:3008 phenio.json Antocin II|antocin|atosiban acetate|tractocil|tractocile http://purl.obolibrary.org/obo/CHEBI_135899 2_STAR
CHEBI:135901 biolink:ChemicalSubstance lanreotide CAS:108736-35-2|Drug_Central:1546 phenio.json angiopeptin|ipstyl|lanreotide acetate|lanreotide autogel|somatulin-autogel|somatuline http://purl.obolibrary.org/obo/CHEBI_135901 2_STAR
CHEBI:135905 biolink:ChemicalSubstance terlipressin CAS:14636-12-5|Drug_Central:2967|HMDB:HMDB0015569 phenio.json Triglycyl-8-lysine-vasopressin|glycylpressin|glypressin|remestyp http://purl.obolibrary.org/obo/CHEBI_135905 2_STAR
CHEBI:135907 biolink:ChemicalSubstance buserelin CAS:57982-77-1|Drug_Central:436 phenio.json etilamide|receptal http://purl.obolibrary.org/obo/CHEBI_135907 2_STAR
CHEBI:135915 biolink:ChemicalSubstance thymalfasin CAS:62304-98-7|Drug_Central:2643 phenio.json Thymosin alpha1|zadaxin http://purl.obolibrary.org/obo/CHEBI_135915 2_STAR
CHEBI:135923 biolink:ChemicalSubstance migalastat CAS:108147-54-2|Drug_Central:5110 phenio.json 1-Deoxygalactonojirimycin|1-Deoxygalactonojirimycin hydrochloride|GR181413A|galafold|migalastat HCl|migalastat hydrochloride http://purl.obolibrary.org/obo/CHEBI_135923 2_STAR
CHEBI:135926 biolink:ChemicalSubstance udenafil CAS:268203-93-6|Drug_Central:4141|HMDB:HMDB0015628 phenio.json DA-8159|zydena http://purl.obolibrary.org/obo/CHEBI_135926 2_STAR
CHEBI:135928 biolink:ChemicalSubstance doripenem CAS:148016-81-3|Drug_Central:4149|HMDB:HMDB0041883 phenio.json doribax|doripenem hydrate http://purl.obolibrary.org/obo/CHEBI_135928 2_STAR
CHEBI:135929 biolink:ChemicalSubstance silodosin CAS:160970-54-7|Drug_Central:4151 phenio.json rapaflo|silodoshin|silodyx|urief|urorec http://purl.obolibrary.org/obo/CHEBI_135929 2_STAR
CHEBI:135930 biolink:ChemicalSubstance lercanidipine CAS:100427-26-7|Drug_Central:4157|HMDB:HMDB0014669 phenio.json lercanidipine HCl|lercanidipine hydrochloride|masnidipine|zanidip http://purl.obolibrary.org/obo/CHEBI_135930 2_STAR
CHEBI:135935 biolink:ChemicalSubstance tapentadol CAS:175591-09-0|Drug_Central:4283 phenio.json nucynta|tapentadol HCl|tapentadol hydrochloride http://purl.obolibrary.org/obo/CHEBI_135935 2_STAR
CHEBI:135938 biolink:ChemicalSubstance lasofoxifene A member of the class of tetralins that is 5,6,7,8-tetrahydronaphthalen-2-ol in which the hydrogens at positions 5 and 6 are replaced by 4-[2-(pyrrolidin-1-yl)ethoxy]phenyl and phenyl groups, respectively (the 5R,6S-stereoisomer). It is a selective estrogen receptor modulator indicated for the prevention and treatment of osteoporosis in post-menopausal women. CAS:180916-16-9|DrugBank:DB06202|Drug_Central:4308|PDBeChem:C3D|PMCID:PMC6553177|PMID:10566027|PMID:10746637|PMID:11112634|PMID:11316005|PMID:15801869|PMID:17456742|PMID:19898646|PMID:20181970|PMID:20446861|PMID:20568309|PMID:20568310|PMID:21080249|PMID:23604900|PMID:24275139|PMID:26424839|PMID:9528995|Wikipedia:Lasofoxifene phenio.json (-)-cis-(5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-5,6,7,8-tetrahydronaphthalen-2-ol|(-)-cis-5,6,7,8-tetrahydro-6-phenyl-5-(p-(2-(1-pyrrolidinyl)ethoxy)phenyl)-2-naphthol|(5R,6S)-6-phenyl-5-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,6,7,8-tetrahydronaphthalen-2-ol|CP 336156|CP-336,156|CP-336156|Oporia|lasofoxifene|lasofoxifeno|lasofoxifenum http://purl.obolibrary.org/obo/CHEBI_135938 3_STAR
CHEBI:135946 biolink:ChemicalSubstance sincalide CAS:25126-32-3|Drug_Central:4627 phenio.json SQ 19844|SQ-19844|cholecystokinin-8 http://purl.obolibrary.org/obo/CHEBI_135946 2_STAR
CHEBI:135947 biolink:ChemicalSubstance bazedoxifene CAS:198481-32-2|Drug_Central:4334 phenio.json TSE-424|TSE424|bazedoxifene acetate|conbriza http://purl.obolibrary.org/obo/CHEBI_135947 2_STAR
CHEBI:135948 biolink:ChemicalSubstance amifampridine CAS:54-96-6|Drug_Central:4336 phenio.json 3,4-DAP|DAP|amifampridin|amifampridine phosphate|firdapse http://purl.obolibrary.org/obo/CHEBI_135948 2_STAR
CHEBI:135949 biolink:ChemicalSubstance ambrisentan CAS:177036-94-1|Drug_Central:4337 phenio.json LU 208075|LU208075|letairis|volibris http://purl.obolibrary.org/obo/CHEBI_135949 2_STAR
CHEBI:135956 biolink:ChemicalSubstance vernakalant CAS:794466-70-9|Drug_Central:4365 phenio.json RSD1235|brinavess|vernakalant HCl|vernakalant hydrochloride http://purl.obolibrary.org/obo/CHEBI_135956 2_STAR
CHEBI:135962 biolink:ChemicalSubstance dapoxetine CAS:119356-77-3|Drug_Central:4381 phenio.json LY-210448|dapoxetine hydrochloride|priligy http://purl.obolibrary.org/obo/CHEBI_135962 2_STAR
CHEBI:135964 biolink:ChemicalSubstance clevudine CAS:163252-36-6|Drug_Central:4394 phenio.json levovir http://purl.obolibrary.org/obo/CHEBI_135964 2_STAR
CHEBI:135967 biolink:ChemicalSubstance casopitant CAS:414910-27-3|Drug_Central:4401 phenio.json GW-679769|GW679769|casopitant mesilate|casopitant mesylate|zunrisa http://purl.obolibrary.org/obo/CHEBI_135967 2_STAR
CHEBI:135971 biolink:ChemicalSubstance etilevodopa CAS:37178-37-3|Drug_Central:4422 phenio.json levodopa ethyl ester http://purl.obolibrary.org/obo/CHEBI_135971 2_STAR
CHEBI:135983 biolink:ChemicalSubstance teriparatide CAS:52232-67-4|Drug_Central:4514 phenio.json forsteo|hPTH 1-34|parathar|teriparatide acetate|teriparatide recombinant human http://purl.obolibrary.org/obo/CHEBI_135983 2_STAR
CHEBI:135984 biolink:ChemicalSubstance fazadinium CAS:36653-54-0|Drug_Central:4535 phenio.json fazadinium bromide|fazadinium dibromide|fazadon http://purl.obolibrary.org/obo/CHEBI_135984 2_STAR
CHEBI:135990 biolink:ChemicalSubstance gepirone A member of the class of piperidones that is piperidine-2,6-dione substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 1 and two methyl groups at position 4. CAS:83928-76-1|DrugBank:DB12184|Drug_Central:4562|HMDB:HMDB0252698|PMID:11892924|PMID:12949996|PMID:21707926|PMID:22240272|PMID:31347611|PMID:37856644|PMID:38079093|PMID:38335641|PMID:6140299|Wikipedia:Gepirone phenio.json 4,4-dimethyl-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-2,6-piperidinedione|4,4-dimethyl-1-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}piperidine-2,6-dione|gepirona|gepirone|gepironum http://purl.obolibrary.org/obo/CHEBI_135990 3_STAR
CHEBI:136003 biolink:ChemicalSubstance levomethadone A 6-(dimethylamino)-4,4-diphenylheptan-3-one that has (R)-configuration. It is the active enantiomer of methadone and its hydrochloride salt is used to treat adults who are addicted to drugs such as heroin and morphine. CAS:125-58-6|Chemspider:20904|DrugBank:DB13515|Drug_Central:4586|KEGG:D08121|PMID:20308640|PMID:21371149|PMID:25669614|PMID:27974484|PMID:29393208|PMID:29902789|PMID:31842942|PMID:32302325|PMID:32586692|PMID:32903474|PMID:33345336|PMID:33423953|Reaxys:3213668|Wikipedia:Levomethadone phenio.json (-)-(R)-6-(dimethylamino)-4,4-diphenyl-3-heptanone|(-)-methadone|(6R)-6-(dimethylamino)-4,4-diphenylheptan-3-one|(6R)-methadone|(R)-(-)-methadone|(R)-6-(dimethylamino)-4,4-diphenyl-3-heptanone|(R)-methadone|L-6-(dimethylamino)-4,4-diphenyl-3-heptanone|R-methadone|l-methadone|levometadona|levomethadone|levomethadonum http://purl.obolibrary.org/obo/CHEBI_136003 3_STAR
CHEBI:136004 biolink:ChemicalSubstance linsidomine CAS:33876-97-0|Drug_Central:4589 phenio.json linsidomine HCl|linsidomine hydrochloride http://purl.obolibrary.org/obo/CHEBI_136004 2_STAR
CHEBI:136007 biolink:ChemicalSubstance methylnaltrexone CAS:83387-25-1|Drug_Central:4616 phenio.json methylnaltrexone bromide|methylnaltrexonium|relistor http://purl.obolibrary.org/obo/CHEBI_136007 2_STAR
CHEBI:136009 biolink:ChemicalSubstance (6S)-5-methyltetrahydrofolic acid A 5-methyltetrahydrofolic acid that has 6S-configuration. CAS:31690-09-2|Chemspider:392351|Drug_Central:4621|HMDB:HMDB0254053|KEGG:D09353|PDBeChem:C2F|PMID:15612825|PMID:17622258|PMID:20423084|PMID:32370802|PMID:33255787|PMID:33375730|PMID:33925570|PMID:34953391|Patent:US2007190596|Patent:US2010151533|Wikipedia:Levomefolic_acid phenio.json (6S)-5-methyl-5,6,7,8-tetrahydrofolic acid|(6S)-5-methyl-THF|(6S)-5-methylTHFA|L-5-methyltetrahydrofolate|L-5-methyltetrahydrofolic acid|N-[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid|acide levomefolique|acido levomefolico|acidum levomefolicum|levomefolic acid http://purl.obolibrary.org/obo/CHEBI_136009 3_STAR
CHEBI:13601 biolink:ChemicalSubstance 3-oxo-5alpha-steroid A 3-oxo steroid that has alpha configuration at position 5. KEGG:C02940|MetaCyc:3-Oxo-5-Alpha-Steroids phenio.json 3-oxo 5alpha- steroid|3-oxo 5alpha- steroids|3-oxo 5alpha-steroids|a 3-oxo-5alpha-steroid http://purl.obolibrary.org/obo/CHEBI_13601 3_STAR
CHEBI:136039 biolink:ChemicalSubstance phenibut CAS:1078-21-3|Drug_Central:4863 phenio.json bifren|fenibut|fenibut citrate|phenibut HCl|phenibut citrate|phenibut hydrochloride|phenigamma|phenyl-GABA http://purl.obolibrary.org/obo/CHEBI_136039 2_STAR
CHEBI:136044 biolink:ChemicalSubstance fimasartan CAS:247257-48-3|Drug_Central:4906 phenio.json BR-A-657|fimasartan potassium|fimasartan potassium hydrate|fimasartan potassium trihydrate|kanarb http://purl.obolibrary.org/obo/CHEBI_136044 2_STAR
CHEBI:136051 biolink:ChemicalSubstance lusutrombopag CAS:1110766-97-6|Drug_Central:5059 phenio.json S 888711|S-888711|mulpleta http://purl.obolibrary.org/obo/CHEBI_136051 2_STAR
CHEBI:136056 biolink:ChemicalSubstance (18S)-resolvin E2(1-) An icosanoid anion that is the conjugate base of (18S)-resolvin E2, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:21206090 phenio.json (5S,18S)-dihydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoate|(5S,18S)-dihydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate|(5S,6E,8Z,11Z,14Z,16E,18S)-5,18-dihydroxyicosa-6,8,11,14,16-pentaenoate|(5S,6E,8Z,11Z,14Z,16E,18S)-5,18-dihydroxyicosapentaenoate|18S-RvE2(1-)|18S-resolvin E2 http://purl.obolibrary.org/obo/CHEBI_136056 3_STAR
CHEBI:136057 biolink:ChemicalSubstance (18S)-resolvin E1(1-) An icosanoid anion that is the conjugate base of (18S)-resolvin E1, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:21206090 phenio.json (5S,12R,18S)-trihydroxy-(6Z,8E,10E,14Z,16E)-eicosapentaenoate|(5S,12R,18S)-trihydroxy-(6Z,8E,10E,14Z,16E)-icosapentaenoate|(5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoate|(5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-trihydroxyicosapentaenoate|18S-RvE1(1-)|18S-resolvin E1 http://purl.obolibrary.org/obo/CHEBI_136057 3_STAR
CHEBI:136067 biolink:ChemicalSubstance 3-aci-nitropropanoate A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 3-aci-nitropropanoic acid. KEGG:C03071 phenio.json 3-[hydroxy(oxido)-lambda(5)-azanylidene]propanoate|3-aci-nitropropanoate|propionate 3-nitronate http://purl.obolibrary.org/obo/CHEBI_136067 3_STAR
CHEBI:136078 biolink:ChemicalSubstance 4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate A polyprenyl glycosyl diphosphate having eleven prenyl units and with 4-O-[di(2R)-1-glycerylphosphono]--N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosamine as the glycosyl fragment. MetaCyc:CPD-19301 phenio.json 2-acetamido-4-O-(2-acetamido-2-deoxy-4-O-{[(2R)-3-({[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy](hydroxy)phosphoryl}-beta-D-mannoopyranosyl)-2-deoxy-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-alpha-D-glucopyranose|4-O-[di(2R)-1-glycerylphosphono]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl ditrans,octacis-diphosphate http://purl.obolibrary.org/obo/CHEBI_136078 3_STAR
CHEBI:13610 biolink:ChemicalSubstance 3beta-hydroxysterol ester A sterol ester obtained by formal condensation of the carboxy group of any carboxylic acid with the 3-hydroxy group of a 3beta-hydroxysterol. KEGG:C03587 phenio.json 3beta-hydroxysteroid ester|3beta-hydroxysteroid esters|3beta-hydroxysterol esters|a 3beta-hydroxysteroid ester http://purl.obolibrary.org/obo/CHEBI_13610 3_STAR
CHEBI:13611 biolink:ChemicalSubstance 4-hydroxy carboxylic acid Any hydroxy carboxylic acid which contains a hydroxy substituent gamma to a carboxy group. phenio.json 4-hydroxy carboxylic acids|4-hydroxyacids|4-hydroxycarboxylic acid|4-hydroxycarboxylic acids|a 4-hydroxyacid|gamma-hydroxy carboxylic acid|gamma-hydroxyacid|gamma-hydroxyacids|gamma-hydroxycarboxylic acid|gamma-hydroxycarboxylic acids http://purl.obolibrary.org/obo/CHEBI_13611 3_STAR
CHEBI:136113 biolink:ChemicalSubstance (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid A docosanoid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying a hydroperoxy substituent at position 17S. LIPID_MAPS_instance:LMFA04000051|MetaCyc:CPD66-80|PMID:19324874|PMID:23919613|Reaxys:14339389 phenio.json (17S)-HPDHA|(17S)-HPDoHE|(17S)-hydroperoxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid|(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoic acid|(4Z,7Z,10Z,13Z,15E,17S,19Z)-hydroperoxydocosahexaenoic acid|17(S)-Hp-DHA|17S-HpDHA|17S-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid http://purl.obolibrary.org/obo/CHEBI_136113 3_STAR
CHEBI:13614 biolink:ChemicalSubstance 6,7-dihydropteridines Any member of the class of pteridines in which the the pteridine ring has been reduced by the formal addition of one molecule of hydrogen to positions 6 and 7. phenio.json http://purl.obolibrary.org/obo/CHEBI_13614 3_STAR
CHEBI:136179 biolink:ChemicalSubstance (+)-7-isojasmonate A jasmonate anion resulting from the removal of a proton from the carboxy group of (+)-7-isojasmonic acid. The major species at pH 7.3. MetaCyc:CPD-731 phenio.json (+)-7-isojasmonate|{(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate http://purl.obolibrary.org/obo/CHEBI_136179 3_STAR
CHEBI:136180 biolink:ChemicalSubstance N-[(+)-7-isojasmonyl]-L-isoleucinate An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-[(+)-7-isojasmonyl]-L-isoleucine; major species at pH 7.3. MetaCyc:CPD-11259 phenio.json (+)-7-epi-jasmonoyl-L-isoleucinate|(+)-7-isojasmonic acid-L-isoleucinate conjugate|(+)-7-isojasmonyl-L-isoleucinate|(2S,3S)-3-methyl-2-(2-{(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetamido)pentanoate|L-isoleucine-(+)-7-isojasmonate|N-({(R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucinate|N-[(+)-7-isojasmonyl]isoleucinate http://purl.obolibrary.org/obo/CHEBI_136180 3_STAR
CHEBI:136181 biolink:ChemicalSubstance N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucinate An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-[(+)-12-hydroxy-7-isojasmonyl]-L-isoleucine; major species at pH 7.3. MetaCyc:CPD-13420 phenio.json (+)-7-iso-12-hydroxyjasmonoyl-L-isoleucinate|(2S,3S)-2-(2-{(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetamido)-3-methylpentanoate|(3R,7S)-12-OH-JA-Ile(1-)|(3R,7S)-12-hydroxyjasmonoyl-L-isoleucinate|L-isoleucine-(+)-12-hydroxy-7-isojasmonate|N-({(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetyl)-L-isoleucinate|N-[(+)-12-hydroxy-7-isojasmonyl]isoleucinate http://purl.obolibrary.org/obo/CHEBI_136181 3_STAR
CHEBI:136182 biolink:ChemicalSubstance tuberonate A 5-oxo monocarboxylic acid anion that is the conjugate base of tuberonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (+)-12-hydroxy-7-isojasmonate|tuberonate|{(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetate http://purl.obolibrary.org/obo/CHEBI_136182 3_STAR
CHEBI:136183 biolink:ChemicalSubstance N-jasmonyl-L-alpha-amino acid anion An N-acyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of any N-jasmonyl-L-alpha-amino acid; major species at pH 7.3. MetaCyc:Jasmonoyl-Amino-Acid-Conjugates phenio.json a jasmonyl-L-amino acid http://purl.obolibrary.org/obo/CHEBI_136183 3_STAR
CHEBI:136184 biolink:ChemicalSubstance jasmonic acid anion A 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of any diastereomer of jasmonic acid; major species at pH 7.3. MetaCyc:Jasmonic-Acids phenio.json a jasmonate|jasmonate anion|{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate http://purl.obolibrary.org/obo/CHEBI_136184 3_STAR
CHEBI:136188 biolink:ChemicalSubstance phosphatidylethanolamine P-34:2 A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl chain at position 1 and the acyl group at position 2 contain a total of 34 carbons and 2 additional double bonds. phenio.json PE P(34:2)|PE P-34:2|PE(P-34:2)|phosphatidylethanolamine(P-34:2) http://purl.obolibrary.org/obo/CHEBI_136188 3_STAR
CHEBI:136203 biolink:ChemicalSubstance phosphatidylethanolamine P-38:4 A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine in which the alkyl chain at position 1 and the acyl group at position 2 contain a total of 38 carbons and 4 additional double bonds. phenio.json PE P(38:4)|PE P-38:4|PE(P-38:4)|phosphatidylethanolamine(P-38:4) http://purl.obolibrary.org/obo/CHEBI_136203 3_STAR
CHEBI:136220 biolink:ChemicalSubstance phosphatidylglycerol 32:1 A phosphatidylglycerol in which the two acyl groups contain a total of 32 carbon atoms and 1 double bond. phenio.json PG 32:1|PG(32:1)|phosphatidylglycerol(32:1) http://purl.obolibrary.org/obo/CHEBI_136220 3_STAR
CHEBI:136225 biolink:ChemicalSubstance phosphatidylglycerol 34:1 A phosphatidylglycerol in which the two acyl groups contain a total of 34 carbon atoms and 1 double bond. phenio.json PG 34:1|PG(34:1)|phosphatidylglycerol(34:1) http://purl.obolibrary.org/obo/CHEBI_136225 3_STAR
CHEBI:136229 biolink:ChemicalSubstance phosphatidylglycerol 36:2 A phosphatidylglycerol in which the two acyl groups contain a total of 36 carbon atoms and 2 double bonds. phenio.json PG 36:2|PG(36:2)|phosphatidylglycerol(36:2) http://purl.obolibrary.org/obo/CHEBI_136229 3_STAR
CHEBI:136234 biolink:ChemicalSubstance phosphatidylserine 34:1 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 34 carbon atoms and 1 double bond. phenio.json PS 34:1|PS(34:1)|phosphatidyl-L-serine 34:1|phosphatidyl-L-serine(34:1)|phosphatidylserine(34:1) http://purl.obolibrary.org/obo/CHEBI_136234 3_STAR
CHEBI:136235 biolink:ChemicalSubstance phosphatidylinositol 36:4 A 1-phosphatidyl-1D-myo-inositol in which the two acyl groups contain a total of 36 carbon atoms and 4 double bonds. phenio.json PI 36:4|PI(36:4)|phosphatidylinositol 36:4|phosphatidylinositol(36:4) http://purl.obolibrary.org/obo/CHEBI_136235 3_STAR
CHEBI:136236 biolink:ChemicalSubstance phosphatidylinositol 36:2 A 1-phosphatidyl-1D-myo-inositol in which the two acyl groups contain a total of 36 carbon atoms and 2 double bonds. phenio.json PI 36:2|PI(36:2)|phosphatidylinositol 36:2|phosphatidylinositol(36:2) http://purl.obolibrary.org/obo/CHEBI_136236 3_STAR
CHEBI:136239 biolink:ChemicalSubstance phosphatidylinositol 38:4 A 1-phosphatidyl-1D-myo-inositol in which the two acyl groups contain a total of 38 carbon atoms and 4 double bonds. phenio.json PI 38:4|PI(38:4)|phosphatidylinositol 38:4|phosphatidylinositol(38:4) http://purl.obolibrary.org/obo/CHEBI_136239 3_STAR
CHEBI:136240 biolink:ChemicalSubstance phosphatidylinositol 34:1 A 1-phosphatidyl-1D-myo-inositol in which the two acyl groups contain a total of 34 carbon atoms and 1 double bond. phenio.json PI 34:1|PI(34:1)|phosphatidylinositol 34:1|phosphatidylinositol(34:1) http://purl.obolibrary.org/obo/CHEBI_136240 3_STAR
CHEBI:136243 biolink:ChemicalSubstance phosphatidylinositol 34:2 A 1-phosphatidyl-1D-myo-inositol in which the two acyl groups contain a total of 34 carbon atoms and 2 double bonds. phenio.json PI 34:2|PI(34:2)|phosphatidylinositol 34:2|phosphatidylinositol(34:2) http://purl.obolibrary.org/obo/CHEBI_136243 3_STAR
CHEBI:136245 biolink:ChemicalSubstance phosphatidylinositol 36:1 A 1-phosphatidyl-1D-myo-inositol in which the two acyl groups contain a total of 36 carbon atoms and 1 double bond. phenio.json PI 36:1|PI(36:1)|phosphatidylinositol 36:1|phosphatidylinositol(36:1) http://purl.obolibrary.org/obo/CHEBI_136245 3_STAR
CHEBI:136247 biolink:ChemicalSubstance phosphatidylserine 36:4 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 36 carbon atoms and 4 double bonds. phenio.json PS 36:4|PS(36:4)|phosphatidylserine(36:4) http://purl.obolibrary.org/obo/CHEBI_136247 3_STAR
CHEBI:136248 biolink:ChemicalSubstance phosphatidylserine 34:2 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 34 carbon atoms and 2 double bonds. phenio.json PS 34:2|PS(34:2)|phosphatidylserine(34:2) http://purl.obolibrary.org/obo/CHEBI_136248 3_STAR
CHEBI:136252 biolink:ChemicalSubstance phosphatidylserine 38:6 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 38 carbon atoms and 6 double bonds. phenio.json PS 38:6|PS(38:6)|phosphatidylserine(38:6) http://purl.obolibrary.org/obo/CHEBI_136252 3_STAR
CHEBI:136256 biolink:ChemicalSubstance phosphatidylserine 36:1 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 36 carbon atoms and 1 double bond. phenio.json PS 36:1|PS(36:1)|phosphatidylserine(36:1) http://purl.obolibrary.org/obo/CHEBI_136256 3_STAR
CHEBI:136257 biolink:ChemicalSubstance phosphatidylserine 36:2 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 36 carbon atoms and 2 double bonds. phenio.json PS 36:2|PS(36:2)|phosphatidylserine(36:2) http://purl.obolibrary.org/obo/CHEBI_136257 3_STAR
CHEBI:136258 biolink:ChemicalSubstance phosphatidylserine 38:3 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 38 carbon atoms and 3 double bonds. phenio.json PS 38:3|PS(38:3)|phosphatidylserine(38:3) http://purl.obolibrary.org/obo/CHEBI_136258 3_STAR
CHEBI:136259 biolink:ChemicalSubstance phosphatidylserine 38:4 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 38 carbon atoms and 4 double bonds. phenio.json PS 38:4|PS(38:4)|phosphatidylserine(38:4) http://purl.obolibrary.org/obo/CHEBI_136259 3_STAR
CHEBI:136260 biolink:ChemicalSubstance phosphatidylserine 38:5 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 38 carbon atoms and 5 double bonds. phenio.json PS 38:5|PS(38:5)|phosphatidylserine(38:5) http://purl.obolibrary.org/obo/CHEBI_136260 3_STAR
CHEBI:136263 biolink:ChemicalSubstance phosphatidylserine 40:6 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 40 carbon atoms and 6 double bonds. phenio.json PS 40:6|PS(40:6)|phosphatidylserine(40:6) http://purl.obolibrary.org/obo/CHEBI_136263 3_STAR
CHEBI:136265 biolink:ChemicalSubstance phosphatidylserine 40:7 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 40 carbon atoms and 7 double bonds. phenio.json PS 40:7|PS(40:7)|phosphatidylserine(40:7) http://purl.obolibrary.org/obo/CHEBI_136265 3_STAR
CHEBI:136268 biolink:ChemicalSubstance phosphatidylserine 40:5 A 3-sn-phosphatidyl-L-serine in which the two acyl groups contain a total of 40 carbon atoms and 5 double bonds. phenio.json PS 40:5|PS(40:5)|phosphatidylserine(40:5) http://purl.obolibrary.org/obo/CHEBI_136268 3_STAR
CHEBI:136288 biolink:ChemicalSubstance sphingomyelin 43:2 A sphingomyelin in which the total number of carbons in the sphingoid base and fatty acyl groups is 43 with 2 double bonds. phenio.json SM 43:2|SM(43:2)|sphingomyelin 43:2|sphingomyelin(43:2) http://purl.obolibrary.org/obo/CHEBI_136288 3_STAR
CHEBI:136352 biolink:ChemicalSubstance (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoic acid A hydroperoxydocosapentaenoic acid that is (7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid carrying a hydroperoxy substituent at position 17. An intermediate of specialised proresolving mediators. PMID:19324874 phenio.json (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosa-7,10,13,15,19-pentaenoic acid|(7Z,10Z,13Z,15E,19Z)-hydroperoxydocosapentaenoic acid|17-HPDPA(n-3)|17-HPDoPE(n-3)|17-hydroperoxy-(7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_136352 3_STAR
CHEBI:136353 biolink:ChemicalSubstance (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid A hydroperoxydocosapentaenoic acid that is (7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid carrying a hydroperoxy substituent at position 14. PMID:19324874 phenio.json (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosa-7,10,12,16,19-pentaenoic acid|14-HPDPA(n-3)|14-HPDoPE|14-HPDoPE(n-3)|14-hydroperoxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_136353 3_STAR
CHEBI:13637 biolink:ChemicalSubstance flavanone 7-O-beta-D-glucoside A beta-D-glucoside having a flavanon-7-yl moiety at the anomeric position. phenio.json flavanone 7-O-beta-D-glucosides http://purl.obolibrary.org/obo/CHEBI_13637 3_STAR
CHEBI:136397 biolink:ChemicalSubstance (2xi)-3-deoxy-7-O-phosphonato-beta-D-threo-hept-6-ulopyranosonate A carbohydrate acid derivative anion arising from deprotonation of the carboxy and phosphate OH groups of (2xi)-3-deoxy-7-O-phospho-beta-D-threo-hept-6-ulopyranosonic acid; major species at pH 7.3. PMID:15326172 phenio.json (2xi)-3-deoxy-7-O-phosphonato-beta-D-threo-hept-6-ulopyranosonate|7-phospho-2-dehydro-3-deoxy-D-arabino-heptonate (ring form) http://purl.obolibrary.org/obo/CHEBI_136397 3_STAR
CHEBI:136398 biolink:ChemicalSubstance N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactoside(1-) An N-acetylneuraminate obtained by deprotonation of the carboxy group of any N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactoside MetaCyc:ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA phenio.json an N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl derivative http://purl.obolibrary.org/obo/CHEBI_136398 3_STAR
CHEBI:136412 biolink:ChemicalSubstance 5'-end 2'-deoxyribonucleotide(2-) residue An organic anionic group obtained by deprotonation of the phosphate OH groups of any 5'-end 2'-deoxyribonucleotide residue; major species at pH 7.3. MetaCyc:5-Phospho-terminated-DNAs phenio.json 5'-phosphate 2'-deoxynucleoside residue http://purl.obolibrary.org/obo/CHEBI_136412 3_STAR
CHEBI:136416 biolink:ChemicalSubstance 5'-end 2'-deoxyribonucleoside residue A nucleoside residue derived from any 2'-deoxyribonucleoside having the linkage point at position 3'. MetaCyc:5-Dephospho-DNA phenio.json 5'-end 2'-deoxyribonucleoside http://purl.obolibrary.org/obo/CHEBI_136416 3_STAR
CHEBI:136419 biolink:ChemicalSubstance 3'-end 2'-deoxyribonucleotide-3'-diphospho-5'-guanosine(3-) residue An organic anionic group obtained by deprotonation of the phosphate and diphosphate OH groups of any 3'-end 2'-deoxyribonucleotide-3'-diphospho-5'-guanosine residue; major species at pH 7.3. MetaCyc:DNA-with-3-prime-pp-5-prime-G-cap phenio.json 3'-end 2'-deoxyribonucleotide-3'-diphospho-5'-guanosine residue http://purl.obolibrary.org/obo/CHEBI_136419 3_STAR
CHEBI:136420 biolink:ChemicalSubstance 3'-end 5'-phosphate-ribonucleotide(3-) residue An organic anionic group obtained by deprotonation of the phosphate OH group of any 3'-end 5'-phosphate-ribonucleotide residue; major species at pH 7.3. MetaCyc:3-Prime-Phosphate-Terminated-DNAs phenio.json 3'-end 2'-deoxyribonucleotide 3'-phosphate residue http://purl.obolibrary.org/obo/CHEBI_136420 3_STAR
CHEBI:136422 biolink:ChemicalSubstance (Z)-desulfoglucotropeolin A desulfoglucotropeolin in which the C=N double bond has Z configuration. KEGG:C01069|MetaCyc:BENZYL-DESULFOGLUCOSINOLATE phenio.json (Z)-desulfoglucotropeolin|1-S-[(1Z)-N-hydroxy-2-phenylethanimidoyl]-1-thio-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_136422 3_STAR
CHEBI:136425 biolink:ChemicalSubstance omega-(methylsulfanyl)alkyl desulfoglucosinolate A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of any omega-[(methylsulfanyl)alkyl]thiohydroximic acid with beta-D-glucopyranose. MetaCyc:Desulfoaliphaticglucosinolates phenio.json alpha-(methylsulfanyl)-omega-[3-(hydroxyimino)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}propyl]polymethanediyl|an aliphatic desulfo-glucosinolate http://purl.obolibrary.org/obo/CHEBI_136425 3_STAR
CHEBI:136428 biolink:ChemicalSubstance N-hydroxyimidothioate An imidothioate in which the nitrogen is substituted by a hydroxy group. phenio.json N-hydroxyimidothioates http://purl.obolibrary.org/obo/CHEBI_136428 3_STAR
CHEBI:13643 biolink:ChemicalSubstance glycol A diol in which the two hydroxy groups are on different carbon atoms, usually but not necessarily adjacent. phenio.json Glykol|glycols http://purl.obolibrary.org/obo/CHEBI_13643 3_STAR
CHEBI:136434 biolink:ChemicalSubstance omega-[(methylsulfanyl)alkyl]glucosinolate A thia-alkylglucosinolate resulting from the removal of the proton of the hydrogen sulfate group of any omega-[(methylsulfanyl)alkyl]glucosinolic acid. MetaCyc:Aliphatic-glucosinolates phenio.json an omega-(methylsulfanyl)-N-sulfo-alkylhydroximate S-glucoside http://purl.obolibrary.org/obo/CHEBI_136434 3_STAR
CHEBI:136438 biolink:ChemicalSubstance D-thioglucoside phenio.json http://purl.obolibrary.org/obo/CHEBI_136438 1_STAR
CHEBI:136440 biolink:ChemicalSubstance beta-D-thioglucoside phenio.json http://purl.obolibrary.org/obo/CHEBI_136440 1_STAR
CHEBI:136442 biolink:ChemicalSubstance desulfoglucosinolic acid A beta-D-thioglucoside formed by the formal condensation of the thiol group of an N-hydroxyimidothioate with beta-D-glucose. phenio.json desulfoglucosinolic acids http://purl.obolibrary.org/obo/CHEBI_136442 3_STAR
CHEBI:136469 biolink:ChemicalSubstance phosphatidylethanolamine 33:1 A 1,2-diacyl-sn-glycero-3-phosphoethanolamine in which the two acyl groups contain a total of 33 carbons and 1 double bond. phenio.json PE 33:1|PE(33:1)|phosphatidylethanolamine(33:1) http://purl.obolibrary.org/obo/CHEBI_136469 3_STAR
CHEBI:136479 biolink:ChemicalSubstance phosphatidylglycerol 34:2 A phosphatidylglycerol in which the two acyl groups contain a total of 34 carbon atoms and 2 double bonds. phenio.json PG 34:2|PG(34:2)|phosphatidylglycerol(34:2) http://purl.obolibrary.org/obo/CHEBI_136479 3_STAR
CHEBI:136489 biolink:ChemicalSubstance phosphatidylinositol 36:3 A 1-phosphatidyl-1D-myo-inositol in which the two acyl groups contain a total of 36 carbon atoms and 3 double bonds. phenio.json PI 36:3|PI(36:3)|phosphatidylinositol(36:3) http://purl.obolibrary.org/obo/CHEBI_136489 3_STAR
CHEBI:136505 biolink:ChemicalSubstance homocysteine derivative A non-proteinogenic amino acid derivative resulting from reaction of homocysteine at the amino group, the carboxy group, or the side-chain amino group, or from the replacement of any hydrogen of homocysteine by a heteroatom. The definition normally excludes peptides containing homocysteine residues. phenio.json homocysteine derivatives http://purl.obolibrary.org/obo/CHEBI_136505 3_STAR
CHEBI:136514 biolink:ChemicalSubstance indol-3-ylmethylamine(1+) A primary ammonium ion obtained by protonation of the primary amino function of indol-3-ylmethylamine; major species at pH 7.3. MetaCyc:CPD-8913 phenio.json (1H-indol-3-yl)methanaminium|3-(aminomethyl)indole|3-(ammoniomethyl)indole http://purl.obolibrary.org/obo/CHEBI_136514 3_STAR
CHEBI:136515 biolink:ChemicalSubstance 3-(methylaminomethyl)indole(1+) An organic cation obtained by protonation of the secondary amino function of 3-(methylaminomethyl)indole; major species at pH 7.3. MetaCyc:CPD-8914 phenio.json (1H-indol-3-yl)-N-methylmethanamine|(1H-indol-3-yl)-N-methylmethanaminium|(indol-3-yl)-N-methylmethanamine(1+)|N-methyl-3-aminomethylindole(1+) http://purl.obolibrary.org/obo/CHEBI_136515 3_STAR
CHEBI:136525 biolink:ChemicalSubstance (14R)-HDoHE(1-) A 14-HDoHE(1-) that is the conjugate base of (14R)-HDoHE, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:25200603 phenio.json (14R)-HDHA(1-)|(14R)-hydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate|(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoate|(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosahexaenoate|14(R)-HDoHE(1-) http://purl.obolibrary.org/obo/CHEBI_136525 3_STAR
CHEBI:136526 biolink:ChemicalSubstance (14S)-HDoHE(1-) A 14-HDoHE(1-) that is the conjugate base of (14S)-HDoHE, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:25200603 phenio.json (14S)-HDHA(1-)|(14S)-hydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate|(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoate|(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosahexaenoate|14(S)-HDoHE(1-) http://purl.obolibrary.org/obo/CHEBI_136526 3_STAR
CHEBI:136528 biolink:ChemicalSubstance dihydroxydocosahexaenoate A hydroxy polyunsaturated fatty acid anion obtained by the deprotonation of the carboxy group of any dihydroxydocosahexaenoic acid. phenio.json DiHDHA(1-)|DiHDoHE(1-) http://purl.obolibrary.org/obo/CHEBI_136528 3_STAR
CHEBI:136529 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14S,16Z,19Z)-14,22-dihydroxydocosahexaenoate A dihydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14S,16Z,19Z)-14,22-dihydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:25200603 phenio.json (14S,22)-DiHDoHE(1-)|(14S,22)-diHDHA(1-)|(14S,22)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate|(4Z,7Z,10Z,12E,14S,16Z,19Z)-14,22-dihydroxydocosa-4,7,10,12,16,19-hexaenoate|maresin-L1(1-) http://purl.obolibrary.org/obo/CHEBI_136529 3_STAR
CHEBI:136530 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosahexaenoate A dihydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:25200603 phenio.json (14R,22)-DiHDoHE(1-)|(14R,22)-diHDHA(1-)|(14R,22)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate|(4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosa-4,7,10,12,16,19-hexaenoate|maresin-L2(1-) http://purl.obolibrary.org/obo/CHEBI_136530 3_STAR
CHEBI:136533 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14S,16Z,19Z,21R)-dihydroxydocosahexaenoate A dihydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14S,16Z,19Z,21R)-dihydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:19965612 phenio.json (14S,21R)-DiHDoHE(1-)|(14S,21R)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate|(4Z,7Z,10Z,12E,14S,16Z,19Z,21R)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoate|14S,21R-diHDHA(1-) http://purl.obolibrary.org/obo/CHEBI_136533 3_STAR
CHEBI:136534 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14S,16Z,19Z,21S)-dihydroxydocosahexaenoate A dihydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14S,16Z,19Z,21S)-dihydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:19965612 phenio.json (14S,21S)-DiHDoHE(1-)|(14S,21S)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate|(4Z,7Z,10Z,12E,14S,16Z,19Z,21S)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoate|14S,21S-diHDHA(1-) http://purl.obolibrary.org/obo/CHEBI_136534 3_STAR
CHEBI:136535 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14R,16Z,19Z,21R)-dihydroxydocosahexaenoate A dihydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14R,16Z,19Z,21R)-dihydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:19965612 phenio.json (14R,21R)-DiHDoHE(1-)|(14R,21R)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate|(4Z,7Z,10Z,12E,14R,16Z,19Z,21R)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoate|14R,21R-diHDHA(1-) http://purl.obolibrary.org/obo/CHEBI_136535 3_STAR
CHEBI:136536 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoate A dihydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:19965612 phenio.json (14R,21S)-DiHDoHE(1-)|(14R,21S)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate|(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoate|14R,21S-diHDHA(1-) http://purl.obolibrary.org/obo/CHEBI_136536 3_STAR
CHEBI:136538 biolink:ChemicalSubstance ethylisopropylamiloride A member of the class of pyrazines that is amiloride in which the amino substitutent of the pyrazine ring that is adjacent to the chloro substituent has been substituted by an ethyl group and by an isopropyl group. CAS:1154-25-2|PMID:10482815|PMID:12897821|PMID:15968466|PMID:20338684|PMID:23075671|PMID:23864606|PMID:25985899|PMID:26547075|PMID:9486355 phenio.json 3-amino-N-(aminoiminomethyl)-6-chloro-5-(ethyl(1-methylethyl)amino)pyrazinecarboxamide|3-amino-N-carbamimidoyl-6-chloro-5-[ethyl(isopropyl)amino]pyrazine-2-carboxamide|5-(N-ethyl-N-isopropyl)amiloride|5-(ethylisopropyl)amiloride|EIPA|N-amidino-3-amino-5-ethylisopropylamino-6-chloropyrazine carboxamide|ethyl isopropyl amiloride http://purl.obolibrary.org/obo/CHEBI_136538 3_STAR
CHEBI:136539 biolink:ChemicalSubstance 11-dehydro-thromboxane B2(1-) A thromboxane anion that is the conjugate base of 11-dehydro-thromboxane B2, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:8200461 phenio.json (5Z)-7-{(2R,3S,4S)-4-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-oxooxan-3-yl}hept-5-enoate|(5Z,13E,15S)-9alpha,15-dihydroxy-11-oxothromboxa-5,13-dien-1-oate|11-dehydro-TXB22(1-)|11-dehydro-thromboxane B2 http://purl.obolibrary.org/obo/CHEBI_136539 3_STAR
CHEBI:136545 biolink:ChemicalSubstance alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide(1-) A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of any alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide; major species ar pH 7.3. phenio.json an N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl derivative http://purl.obolibrary.org/obo/CHEBI_136545 3_STAR
CHEBI:136564 biolink:ChemicalSubstance (R)-dyspropterin A dyspropterin in which the stereocentre at position 6 has R-configuration. MetaCyc:6-PYRUVOYL-5678-TETRAHYDROPTERIN phenio.json (6R)-6-pyruvoyl-5,6,7,8-tetrahydropterin|6-pyruvoyl-5,6,7,8-tetrahydropterin http://purl.obolibrary.org/obo/CHEBI_136564 3_STAR
CHEBI:136565 biolink:ChemicalSubstance (6R)-6-lactoyl-5,6,7,8-tetrahydropterin A 6-lactoyl-5,6,7,8-tetrahydropterin in which the stereocentre at position 6 has R-configuration. MetaCyc:6-LACTOYL-5678-TETRAHYDROPTERIN phenio.json (6R)-2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydropteridin-4(1H)-one|6-lactoyl-5,6,7,8-tetrahydropterin http://purl.obolibrary.org/obo/CHEBI_136565 3_STAR
CHEBI:136572 biolink:ChemicalSubstance (6R)-5,10-methylenetetrahydrofolate poly(gamma-L-glutamate) macromolecule A 5,10-methylenetetrahydrofolate polyglutamate macromolecule in which the stereocentre at position 6 on the tetrahydrofolyl moiety has R-configuration. phenio.json (6R)-5,10-methylenetetrahydrofolyl-(gamma-L-Glu)n http://purl.obolibrary.org/obo/CHEBI_136572 3_STAR
CHEBI:136579 biolink:ChemicalSubstance cholesterol sulfate(1-) A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of cholesterol sulfate; major species at pH 7.3. PMID:12145317 phenio.json (3beta)-cholest-5-en-3-yl sulfate|cholest-5-en-3beta-yl sulfate|cholesterol sulfate http://purl.obolibrary.org/obo/CHEBI_136579 3_STAR
CHEBI:136582 biolink:ChemicalSubstance 17beta-estradiol 3-sulfate(1-) A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of 17beta-estradiol 3-sulfate; major species at pH 7.3. PMID:7779757|Reaxys:3705507 phenio.json (17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl sulfate|17beta-estradiol 3-sulfate|17beta-hydroxyestra-1(10),2,4-trien-3-yl sulfate http://purl.obolibrary.org/obo/CHEBI_136582 3_STAR
CHEBI:136591 biolink:ChemicalSubstance D-erythronate An erythronate that is the conjugate base of D-erythronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. MetaCyc:CPD-19877|Reaxys:4664614 phenio.json (2R,3R)-2,3,4-trihydroxybutanoate|D-erythronate http://purl.obolibrary.org/obo/CHEBI_136591 3_STAR
CHEBI:136596 biolink:ChemicalSubstance 4-hydroxy monocarboxylic acid anion A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of a 4-hydroxycarboxylic acid. MetaCyc:CPD-8575 phenio.json 4-hydroxy monocarboxylic acid anions|4-hydroxyacid anions|4-hydroxycarboxylate|4-hydroxycarboxylates|4-hydroxycarboxylic acid anions|4-hydroxymonocarboxylate|4-hydroxymonocarboxylates|4-hydroxymonocarboxylic acid anion|4-hydroxymonocarboxylic acid anions|a 4-hydroxyacid|a 4-hydroxyacid anion http://purl.obolibrary.org/obo/CHEBI_136596 3_STAR
CHEBI:136598 biolink:ChemicalSubstance 3-amino-D-alanine A 3-aminoalanine that has R configuration. CAS:1915-96-4|PDBeChem:2RA|PMID:6814950|Reaxys:1721399 phenio.json (2R)-2,3-bis(azanyl)propanoic acid|(2R)-2,3-diaminopropanoic acid|(2R)-2,3-diaminopropionic acid|(R)-2,3-diaminopropanoic acid|(R)-2,3-diaminopropionic acid|3-amino-D-alanine|D-2,3-diaminopropanoic acid|D-2,3-diaminopropionic acid|D-DAP|D-Dap-OH http://purl.obolibrary.org/obo/CHEBI_136598 3_STAR
CHEBI:136599 biolink:ChemicalSubstance 3-amino-D-alanine zwitterion The zwitterion resulting from the transfer of a proton from the carboxy group to the beta-amino group of 3-amino-D-alanine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). phenio.json (2R)-2-amino-3-azaniumylpropanoate|(R)-2,3-diaminopropanoate http://purl.obolibrary.org/obo/CHEBI_136599 3_STAR
CHEBI:136602 biolink:ChemicalSubstance (1->4)-6-phospho-alpha-D-glucan A glucan derivative that is (1->4)-alpha-D-glucan in which the 6-position of the repeating unit has been phosphorylated. phenio.json http://purl.obolibrary.org/obo/CHEBI_136602 3_STAR
CHEBI:136609 biolink:ChemicalSubstance theaflavin A biflavonoid that is 3,4,5-trihydroxybenzocyclohepten-6-one which is substituted at positions 1 and 8 by (2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl groups. It is the main red pigment in black tea. CAS:4670-05-7|Chemspider:102754|FooDB:FDB012511|HMDB:HMDB0005788|KNApSAcK:C00009348|PMID:26386739|PMID:26851019|PMID:27237789|PMID:27756182|PMID:27838465|PMID:28190756|PMID:28381812|PMID:28639145|PMID:28939421|Patent:KR20080052675|Reaxys:25497520|Wikipedia:Theaflavin phenio.json (-)-theaflavin|1,8-bis((2R,3R)-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-3,4,6-trihydroxy-5H-benzocyclohepten-5-one|1,8-bis(3-alpha,5,7-trihydroxy-2-alpha-chromanyl)-5H-benzocyclohepten-5-one|3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzo[7]annulen-6-one|3,4,5-trihydroxy-1,8-bis[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-6H-benzocyclohepten-6-one|theaflavine http://purl.obolibrary.org/obo/CHEBI_136609 3_STAR
CHEBI:136622 biolink:ChemicalSubstance aci-nitro compound Organonitrogen compounds that have the general structure R(1)(R(2))C=N(O)OH (R(1),R(2) = H, organyl). They are tautomers of C-nitro compounds. phenio.json aci-nitro compounds|oxime N-oxide|oxime N-oxides http://purl.obolibrary.org/obo/CHEBI_136622 3_STAR
CHEBI:136637 biolink:ChemicalSubstance steroid glucosiduronic acid anion A steroid conjugate anion formed by deprotonation of the carboxy group of any steroid glucosiduronic acid. phenio.json steroid glucosiduronic acid anions|steroid glucuronide anion|steroid glucuronide anions http://purl.obolibrary.org/obo/CHEBI_136637 3_STAR
CHEBI:136643 biolink:ChemicalSubstance propesticide A prodrug that, on administration, undergoes chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active pesticide for which it is a propesticide. AGR:IND84086009|PMID:26449612 phenio.json pro-pesticide|pro-pesticides|propesticides http://purl.obolibrary.org/obo/CHEBI_136643 3_STAR
CHEBI:136644 biolink:ChemicalSubstance proinsecticide A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active insecticide for which it is a proinsecticide. AGR:IND20386178|AGR:IND84086011|AGR:IND89021681|AGR:IND92003154|PMID:16172027|PMID:26449612|PMID:27414472|PMID:27976502 phenio.json pro-insecticide|pro-insecticides|proinsecticides http://purl.obolibrary.org/obo/CHEBI_136644 3_STAR
CHEBI:136651 biolink:ChemicalSubstance S100 calcium-binding protein B inhibitor Any inhibitor of S100 calcium-binding protein B. Wikipedia:S100B phenio.json S100 calcium-binding protein B inhibitors|S100B inhibitor|S100B inhibitors http://purl.obolibrary.org/obo/CHEBI_136651 3_STAR
CHEBI:136655 biolink:ChemicalSubstance 13(R)-HODE(1-) A 13-HODE(1-) that is the conjugate base of 13(R)-HODE, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:9866708 phenio.json (13R)-HODE(1-)|(13R)-hydroxy-(9Z,11E)-octadecadienoate|(9Z,11E,13R)-13-hydroxyoctadeca-9,11-dienoate|(9Z,11E,13R)-13-hydroxyoctadecadienoate http://purl.obolibrary.org/obo/CHEBI_136655 3_STAR
CHEBI:136670 biolink:ChemicalSubstance (S)-2,4-dihydroxy-3-oxobutanoate A hydroxy monocarboxylic acid anion that is the conjugate base of (S)-2,4-dihydroxy-3-oxobutanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. MetaCyc:CPD-19884 phenio.json (2S)-2,4-dihydroxy-3-oxobutanoate|3-dehydro-D-threonate|3-dehydro-L-erythronate http://purl.obolibrary.org/obo/CHEBI_136670 3_STAR
CHEBI:136678 biolink:ChemicalSubstance 4',7-dihydroxyflavanone A dihydroxyflavanone in which the two hydroxy substituents are located at positions 4' and 7. AGR:IND44142906|Chemspider:1818|PMID:15787450|PMID:16667124|PMID:19352635|PMID:20839627|PMID:22976322|PMID:23983320|PMID:5489831|Reaxys:89403 phenio.json 7,4'-dihydroxyflavanone|7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one http://purl.obolibrary.org/obo/CHEBI_136678 3_STAR
CHEBI:136685 biolink:ChemicalSubstance pivaloyloxymethyl ester A acetal obtained from a carboxylic acid by replacement of the hydrogen attached to the carboxy group by a pivaloyloxymethyl group. phenio.json POM ester|POM esters|[(2,2-dimethylpropanoyl)oxy]methyl ester|[(2,2-dimethylpropanoyl)oxy]methyl esters|methylacetyloxymethyl esters|pivaloyloxymethyl esters|pivolxil ester|pivolxil esters|trimethylacetyloxymethyl ester http://purl.obolibrary.org/obo/CHEBI_136685 3_STAR
CHEBI:136690 biolink:ChemicalSubstance haloxyfop-P(1-) A monocarboxylic acid anion resulting from deprotonation of the carboxy group of haloxyfop-P. phenio.json (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propionate|(R)-haloxyfop|(R)-haloxyfop anion|(R)-haloxyfop(1-)|haloxyfop-P anion http://purl.obolibrary.org/obo/CHEBI_136690 3_STAR
CHEBI:136692 biolink:ChemicalSubstance (S)-haloxyfop A 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid that has S configuration. It is the least-active enantiomer of the (racemic) herbicide haloxyfop. CAS:95977-27-8|PMID:22395649|PMID:2568910|PMID:25742319|Reaxys:8571971 phenio.json (-)-haloxyfop|(2S)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid|(S)-(-)-haloxyfop|(S)-haloxyfop-acid http://purl.obolibrary.org/obo/CHEBI_136692 3_STAR
CHEBI:136694 biolink:ChemicalSubstance 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid A monocarboxylic acid that is 2-phenoxypropanoic acid in which the hydrogen at the para position of the phenyl ring has been replaced by a [3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy group. PPDB:1066 phenio.json 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid|2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propionic acid http://purl.obolibrary.org/obo/CHEBI_136694 3_STAR
CHEBI:1367 biolink:ChemicalSubstance 3,3',4,4'-tetrachlorobiphenyl A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines. Beilstein:2051251|CAS:32598-13-3|KEGG:C11057 phenio.json 3,3',4,4'-tetrachloro-1,1'-biphenyl|3,4,3',4'-Tetra coplanar polychlorinated biphenyl|3,4,3',4'-Tetrachlorobiphenyl|PCB 77 http://purl.obolibrary.org/obo/CHEBI_1367 3_STAR
CHEBI:136702 biolink:ChemicalSubstance ximelagatran (hydroxylamine form) A member of the class of azetidines that is melagatran in which the carboxylic acid group has been converted into the corresponding ethyl ester and in which the amidine group has been converted to the corresponding hydroxylamine. Tautomeric with the oxime form of ximelagatran. PMID:28338626|Reaxys:9741940 phenio.json ethyl ({(1R)-1-cyclohexyl-2-[(2S)-2-({[4-(N-hydroxycarbamimidoyl)phenyl]methyl}carbamoyl)azetidin-1-yl]-2-oxoethyl}amino)acetate http://purl.obolibrary.org/obo/CHEBI_136702 3_STAR
CHEBI:136712 biolink:ChemicalSubstance pivaloyl-CoA(4-) A short chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of pivaloyl-CoA; major species at pH 7.3. PMID:22167181 phenio.json 2,2-dimethylpropanoyl-CoA|2,2-dimethylpropanoyl-CoA(4-)|pivalyl-CoA(4-) http://purl.obolibrary.org/obo/CHEBI_136712 3_STAR
CHEBI:136716 biolink:ChemicalSubstance N-(fatty acyl)-L-alpha-amino acid anion The conjugate base of a N-fatty-acyl-L-alpha-amino acid arising from deprotonation of the carboxy group; major species at pH 7.3. phenio.json N-fatty-acyl-L-alpha-amino acid|an N-fatty-acyl-L-alpha-amino acid http://purl.obolibrary.org/obo/CHEBI_136716 2_STAR
CHEBI:136718 biolink:ChemicalSubstance (S)-haloxyfop(1-) A monocarboxylic acid anion resulting from deprotonation of the carboxy group of (S)-haloxyfop. phenio.json (2S)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate|(2S)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propionate http://purl.obolibrary.org/obo/CHEBI_136718 3_STAR
CHEBI:136721 biolink:ChemicalSubstance telomeric repeat-containing RNA PMID:25926849|PMID:26581519|PMID:27604461 phenio.json TERRA http://purl.obolibrary.org/obo/CHEBI_136721 2_STAR
CHEBI:136730 biolink:ChemicalSubstance (S)-all-trans-4-hydroxyretinoic acid An all-trans-4-hydroxyretinoic acid in which the 4-hydroxy group has S-configuration. PMID:25492813|PMID:26999080|Reaxys:23145310 phenio.json (4S)-4-hydroxyretinoic acid|(4S)-OH-atRA|(4S,7E,9E,11E,13E)-4-hydroxyretinoic acid|(S)-4-hydroxyretinoic acid http://purl.obolibrary.org/obo/CHEBI_136730 3_STAR
CHEBI:136757 biolink:ChemicalSubstance long-chain (3S)-hydroxy fatty acyl-CoA(4-) A (3S)-hydroxyacyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups of any long-chain (3S)-hydroxy fatty acyl-CoA; major species at pH 7.3. phenio.json a long-chain (3S)-3-hydroxy fatty acyl-CoA http://purl.obolibrary.org/obo/CHEBI_136757 3_STAR
CHEBI:136758 biolink:ChemicalSubstance long-chain 3-oxo-fatty acyl-CoA(4-) A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any long-chain 3-oxo-fatty acyl-CoA; major species at pH 7.3. phenio.json a long-chain 3-oxo-fatty acyl-CoA http://purl.obolibrary.org/obo/CHEBI_136758 3_STAR
CHEBI:136760 biolink:ChemicalSubstance short-chain (3S)-hydroxy fatty acyl-CoA(4-) A (3S)-3-hydroxyacyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups of any short-chain (3S)-hydroxy fatty acyl-CoA; major species at pH 7.3. phenio.json (3S)-short-chain hydroxy fatty acyl-CoA(4-)|a short-chain (3S)-3-hydroxyacyl-CoA http://purl.obolibrary.org/obo/CHEBI_136760 3_STAR
CHEBI:136798 biolink:ChemicalSubstance 4-thiouridine 5'-phosphate(1-) residue An organic anionic group obtained by deprotonation of the phosphate OH group of 5-thiouridine 5'-phosphate residue; major species at pH 7.3. MetaCyc:tRNA-4-thiouridine phenio.json 4-thiouridine 5'-phosphate residue http://purl.obolibrary.org/obo/CHEBI_136798 3_STAR
CHEBI:136806 biolink:ChemicalSubstance flamenol A member of the class of resorcinols that is phloroglucinol in which one of the phenolic hydrogens has been replaced by a methyl group. CAS:2174-64-3|Chemspider:64709|HMDB:HMDB0132905|MetaCyc:CPD-9494|PMID:15122041|PMID:15808422|PMID:16109305|PMID:18500808|PMID:7813485|Patent:US2010317894|Reaxys:1423578 phenio.json 3,5-dihydroxyanisole|5-Methoxyresorcinol|5-methoxybenzene-1,3-diol|flamenol|flamenolum|phloroglucinol monomethyl ether http://purl.obolibrary.org/obo/CHEBI_136806 3_STAR
CHEBI:136824 biolink:ChemicalSubstance mandelamide A monocarboxylic acid amide that is phenylacetamide in which one of the benzylic hydrogens has been replaced by a hydroxy group. CAS:4410-31-5|Reaxys:2208677 phenio.json 2-hydroxy-2-phenylacetamide http://purl.obolibrary.org/obo/CHEBI_136824 3_STAR
CHEBI:136838 biolink:ChemicalSubstance 2-methoxyethyl ester A carboxylic ester resulting from the formal condensation between a carboxylic acid and the hydroxy group of 2-methoxyethanol. In contrast to many other water-solubilising esters, the 2-methoxyethyl esters of many amino acids are crystalline, allowing them to be easily purified. phenio.json 2-methoxyethyl esters http://purl.obolibrary.org/obo/CHEBI_136838 3_STAR
CHEBI:136848 biolink:ChemicalSubstance beta-bitter acid An alicyclic ketone obtained by prenylation at positions 4, 6 and 6 of any 2-acylphloroglucinol. beta-bitter acids are well known for their contribution to the bitter taste of beer. MetaCyc:BETA-ACIDS|PMID:25564559|PMID:27976466 phenio.json beta-bitter acids http://purl.obolibrary.org/obo/CHEBI_136848 3_STAR
CHEBI:136849 biolink:ChemicalSubstance 3-oxo-Delta(4)-steroid group An organic group derived from any 3-oxo-Delta(4)-steroid. phenio.json a 3-oxo-Delta4-steroid group http://purl.obolibrary.org/obo/CHEBI_136849 3_STAR
CHEBI:136853 biolink:ChemicalSubstance 3-(acyloxy)acyl group phenio.json a 3-(acyloxy)acyl derivative of bacterial toxin http://purl.obolibrary.org/obo/CHEBI_136853 2_STAR
CHEBI:136856 biolink:ChemicalSubstance O-succinyl-L-serinate(1-) An alpha-amino-acid anion that is the conjugate base of O-succinyl-L-serine having anionic carboxy groups and a protonated amino group; major species at pH 7.3. phenio.json 4-[(2S)-2-azaniumyl-2-carboxylatoethoxy]-4-oxobutanoate|O-succinyl-L-serine http://purl.obolibrary.org/obo/CHEBI_136856 3_STAR
CHEBI:136859 biolink:ChemicalSubstance pro-agent A compound that, on administration, undergoes conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the active agent for which it is a pro-agent. PMID:26449612 phenio.json pro-agents|proagent|proagents http://purl.obolibrary.org/obo/CHEBI_136859 3_STAR
CHEBI:136860 biolink:ChemicalSubstance antidote to sarin poisoning A role borne by a molecule that acts to counteract or neutralise the nerve agent sarin. phenio.json http://purl.obolibrary.org/obo/CHEBI_136860 3_STAR
CHEBI:136873 biolink:ChemicalSubstance oligoglycosyl-(1->4)-beta-D-glucose Any oligosaccharide having a beta-D-glucose residue at the reducing end. phenio.json an oligoglycosyl-(1->4)-beta-D-glucose http://purl.obolibrary.org/obo/CHEBI_136873 3_STAR
CHEBI:136874 biolink:ChemicalSubstance piperazinium(2+) A secondary aliphatic ammonium ion obtained by protonation of both amino groups of piperazine. phenio.json piperazine-1,4-diium|piperazinium dication http://purl.obolibrary.org/obo/CHEBI_136874 3_STAR
CHEBI:136875 biolink:ChemicalSubstance oligoglycosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide A glycosylceramide in which the oligoglycosyl component can be any oligoglycosyl-(1->4)-beta-D-glucosyl residue. phenio.json an oligoglycosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide http://purl.obolibrary.org/obo/CHEBI_136875 3_STAR
CHEBI:136876 biolink:ChemicalSubstance 1-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose An O-acyl carbohydrate that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 3,4-dihydroxybenzoyl group. PMID:24412325|Reaxys:7823578 phenio.json 1-(3,4-dihydroxybenzoyl)-beta-D-glucose|1-O-(3,4-dihydroxy-benzoyl)-beta-D-glucose|1-O-(3,4-dihydroxybenzoyl)-beta-D-glucopyranose|1-O-(3,4-dihydroxybenzoyl)-beta-D-glucose|1-O-protocatechuoyl-beta-D-glucopyranose|1-O-protocatechuoyl-beta-D-glucose|1-protocatechuoyl-beta-D-glucopyranose|1-protocatechuoyl-beta-D-glucose|beta-D-glucosyl 3,4-dihydroxybenzoate http://purl.obolibrary.org/obo/CHEBI_136876 3_STAR
CHEBI:136879 biolink:ChemicalSubstance 5-(carboxymethoxy)uridine 5'-phosphate(2-) residue An organic anionic group obtained by deprotonation of the carboxy and phosphate OH groups of 5-(carboxymethoxy)uridine 5'-phosphate residue. Major microspecies at pH 7.4. PMID:23676670|PMID:25855808 phenio.json 5-(carboxymethoxy)uridine 5'-phosphate residue http://purl.obolibrary.org/obo/CHEBI_136879 3_STAR
CHEBI:136881 biolink:ChemicalSubstance 3-carboxy-3-hydroxypropanoyl-CoA(5-) An omega-carboxyacyl-CoA(5-) obtained by deprotonation of the phosphate, diphosphate and carboxy groups of any 3-carboxy-3-hydroxypropanoyl-CoA; major species at pH 7.3. MetaCyc:CPD-15846 phenio.json 3-carboxy-3-hydroxypropanoyl-CoA|3-malyl-CoA(5-)|malyl-CoA(5-) http://purl.obolibrary.org/obo/CHEBI_136881 3_STAR
CHEBI:136889 biolink:ChemicalSubstance 5beta steroid Any steroid that has beta-configuration at position 5. phenio.json 5beta steroids|5beta-steroid|5beta-steroids http://purl.obolibrary.org/obo/CHEBI_136889 3_STAR
CHEBI:136891 biolink:ChemicalSubstance 2'-unsubstituted isoflavones An isoflavone that has an H at position 2' phenio.json a 2'-unsubstituted isoflavone http://purl.obolibrary.org/obo/CHEBI_136891 3_STAR
CHEBI:136895 biolink:ChemicalSubstance dTDP-L-rhamnose(2-) A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-L-rhamnose; major species at pH 7.3. phenio.json dTDP-L-rhamnose http://purl.obolibrary.org/obo/CHEBI_136895 3_STAR
CHEBI:136896 biolink:ChemicalSubstance 5'-(5'-triphosphoguanosine)-(purine-ribonucleotide)(3-) residue An organic anionic group obtained by deprotonation of the triphosphate OH groups of any 5'-(5'-triphosphoguanosine)-(purine-ribonucleotide) residue; major species at pH 7.3. MetaCyc:G5-pppR-mRNAs phenio.json a 5'-(5'-triphosphoguanosine)-(purine-ribonucleoside) residue http://purl.obolibrary.org/obo/CHEBI_136896 3_STAR
CHEBI:136909 biolink:ChemicalSubstance ginkgolide Organic heterohexacyclic compounds that are diterpenoid trilactones found in the ginkgo tree (also known as the maidenhair tree, Ginkgo biloba). They have a cage skeleton consisting of six 5-membered rings (a spiro[4.4]nonane carbobicyclic ring, three lactones and a tetrahydrofuran ring) which includes a tert-butyl substituent. The ginkolides vary only in the number and positions of their hydroxy substituents. PMID:15038029|PMID:15993092|PMID:18179689|PMID:20707065|PMID:21614751|PMID:23922456|PMID:27562518|PMID:27743504|PMID:27915195|Wikipedia:Ginkgolide phenio.json ginkgolides http://purl.obolibrary.org/obo/CHEBI_136909 3_STAR
CHEBI:136912 biolink:ChemicalSubstance 1,2-diacyl-sn-glycero-3-phospholipid A glycerophospholipid, where R1 and R2 are acyl chains and R3 any of the groups that represent the different phospholipid classes (choline, ethanolamine, glycerol, etc). KEGG:C00865 phenio.json 1,2-diacyl-sn-glycero-3-phospholipids|a glycerophospholipid http://purl.obolibrary.org/obo/CHEBI_136912 3_STAR
CHEBI:136913 biolink:ChemicalSubstance monoacyl-sn-glycero-3-phospholipid A glycerophospholipid that is a lysophospholipid where only R1 or R2 is an acyl chain, the other is a hydrogen, and R3 is any group that represents the different classes of glycerophospholipids (choline, ethanolamine, inositol, etc). phenio.json a monoacylglycerophospholipid|lysoglycerophospholipid http://purl.obolibrary.org/obo/CHEBI_136913 3_STAR
CHEBI:136960 biolink:ChemicalSubstance ditrans,polycis-polyprenyl diphosphate(3-) An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of any ditrans,polycis-polyprenyl diphosphate; major species at pH 7.3. phenio.json alpha-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-omega-[(2Z)-2-methyl-4-{[(phosphonatooxy)phosphinato]oxy}but-2-en-1-yl]poly[(2Z)-2-methylbut-2-ene-1,4-diyl]|dehydrodolichol diphosphate(3-)|dehydrodolichyl diphosphate(3-)|di-trans,poly-cis-polyprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_136960 3_STAR
CHEBI:136962 biolink:ChemicalSubstance peptidylamide(1+) A peptide cation obtained by protonation of the amino terminus of any peptidylamide; major species at pH 7.3. phenio.json peptidyl amide(1+)|peptidylamide http://purl.obolibrary.org/obo/CHEBI_136962 3_STAR
CHEBI:136966 biolink:ChemicalSubstance 3beta-hydroxysteroid-4alpha-carboxylate A steroid acid anion that has a carboxylate group located at the 4alpha-position together with a hydroxy substituent located at the 3beta-position. Major microspecies at pH 7.4. MetaCyc:3beta-hydroxy-4alpha-carboxy-sterols|PMID:9811880 phenio.json 3beta-hydroxy-4alpha-carboxylato steroid|3beta-hydroxy-4alpha-carboxylato steroids|3beta-hydroxy-4alpha-carboxylato-steroid|3beta-hydroxy-4alpha-carboxylato-steroids|3beta-hydroxysteroid-4alpha-carboxylates|a 3beta-hydroxysteroid-4alpha-carboxylate http://purl.obolibrary.org/obo/CHEBI_136966 3_STAR
CHEBI:136989 biolink:ChemicalSubstance N-[(5Z,11Z,14Z)-8,9-epoxyicosatrienoyl]ethanolamine An N-(polyunsaturated fatty acyl)ethanolamine obtained by formal epoxidation across the 8,9-double bond of anandamide. LIPID_MAPS_instance:LMFA08040033|PMID:20702771|PMID:21689782|PMID:27000802|Reaxys:11069012 phenio.json (5Z)-N-(2-hydroxyethyl)-7-{3-[(2Z,5Z)-undeca-2,5-dien-1-yl]oxiran-2-yl}hept-5-enamide|8(9)-EET-EA|8(9)-EpETrE-EA|8,9-EET-EA|N-(8,9-epoxy-5Z,11Z,14Z-eicosatrienoyl)-ethanolamine|N-(8,9-epoxy-5Z,11Z,14Z-icosatrienoyl)ethanolamine http://purl.obolibrary.org/obo/CHEBI_136989 3_STAR
CHEBI:136990 biolink:ChemicalSubstance N-[(5Z,8Z,14Z)-11,12-epoxyicosatrienoyl]ethanolamine An N-(polyunsaturated fatty acyl)ethanolamine obtained by formal epoxidation across the 11,12-double bond of anandamide. HMDB:HMDB0013652|LIPID_MAPS_instance:LMFA08040034|PMID:20702771|PMID:21689782|PMID:27000802|Reaxys:11069011 phenio.json (5Z,8Z)-N-(2-hydroxyethyl)-10-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienamide|11(12)-EET-EA|11(12)-EpETrE-EA|11,12-EET-EA|N-(11,12-epoxy-5Z,8Z,14Z-eicosatrienoyl)-ethanolamine|N-(11,12-epoxy-5Z,8Z,14Z-icosatrienoyl)ethanolamine http://purl.obolibrary.org/obo/CHEBI_136990 3_STAR
CHEBI:136991 biolink:ChemicalSubstance N-[(5Z,8Z,11Z)-14,15-epoxyicosatrienoyl]ethanolamine An N-(polyunsaturated fatty acyl)ethanolamine obtained by formal epoxidation across the 14,15-double bond of anandamide. LIPID_MAPS_instance:LMFA08040035|PMID:17272674|PMID:18698000|PMID:20702771|PMID:21289075|PMID:21689782|PMID:27000802|Reaxys:11069010 phenio.json (5Z,8Z,11Z)-N-(2-hydroxyethyl)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienamide|14(15)-EET-EA|14(15)-EpETrE-EA|14,15-EET-EA|14,15-epoxy-5,8,11-icosatrienoic acid ethanolamide|N-(14,15-epoxy-5Z,8Z,11Z-eicosatrienoyl)-ethanolamine|N-(14,15-epoxy-5Z,8Z,11Z-icosatrienoyl)ethanolamine|N-[(5Z,8Z,11Z)-14,15-epoxyicosatrienoyl]ethanolamine http://purl.obolibrary.org/obo/CHEBI_136991 3_STAR
CHEBI:136997 biolink:ChemicalSubstance L-polyhomomethionine A class of sulfur-containing amino acids consisting of homologues of methionine where there is a minimum of four methylene groups between the alpha-carbon and sulfur atoms. MetaCyc:N-homo-methionine phenio.json L-polyhomomethionines|methionine homolog|methionine homologs|methionine homologue|methionine homologues http://purl.obolibrary.org/obo/CHEBI_136997 3_STAR
CHEBI:137000 biolink:ChemicalSubstance C-terminal Xaa-Gly(1-) residue An organic anionic group obtained by deprotonation of the OH group of C-terminal Xaa-Gly residue PMID:2207061|PMID:3453894 phenio.json C-terminal Xaa-Gly residue http://purl.obolibrary.org/obo/CHEBI_137000 3_STAR
CHEBI:137001 biolink:ChemicalSubstance C-terminal alpha-amino-acid amide residue An alkylamino group derived from any alpha-amino-acid amide. PMID:15198673|PMID:2207061 phenio.json C-terminal alpha-amino-acid amide residue http://purl.obolibrary.org/obo/CHEBI_137001 3_STAR
CHEBI:137003 biolink:ChemicalSubstance C-terminal Xaa-hydroxyglycino(1-) residue An organic anionic group obtained by deprotonation of the OH group of C-terminal Xaa-hydroxyglycino residue. PMID:15198673|PMID:2207061|PMID:3453894 phenio.json C-terminal Xaa-hydroxyglycino residue http://purl.obolibrary.org/obo/CHEBI_137003 3_STAR
CHEBI:137011 biolink:ChemicalSubstance resolvin T1 A docosanoid that is (8E,10Z,14E,16Z,18E)-docosapentaenoic acid carrying three hydroxy substituents at positions 7, 13 and 20. PMID:26236990|PMID:27704804 phenio.json (8E,10Z,14E,16Z,18E)-7,13,20-trihydroxydocosa-8,10,14,16,18-pentaenoic acid|(8E,10Z,14E,16Z,18E)-7,13,20-trihydroxydocosapentaenoic acid|RvT1 http://purl.obolibrary.org/obo/CHEBI_137011 3_STAR
CHEBI:137018 biolink:ChemicalSubstance resolvin T2 A docosanoid that is (8Z,10E,14E,16Z,19Z)-docosapentaenoic acid carrying three hydroxy substituents at positions 7, 12 and 13. PMID:26236990|PMID:27704804 phenio.json (8Z,10E,14E,16Z,19Z)-7,12,13-trihydroxydocosa-8,10,14,16,19-pentaenoic acid|(8Z,10E,14E,16Z,19Z)-7,12,13-trihydroxydocosapentaenoic acid|13-series resolvin 2|RvT2 http://purl.obolibrary.org/obo/CHEBI_137018 3_STAR
CHEBI:137019 biolink:ChemicalSubstance resolvin T3 A docosanoid that is (9E,11E,14E,16Z,19Z)-docosapentaenoic acid carrying three hydroxy substituents at positions 7, 8 and 13. PMID:26236990|PMID:27704804 phenio.json (9E,11E,14E,16Z,19Z)-7,8,13-trihydroxydocosa-9,11,14,16,19-pentaenoic acid|(9E,11E,14E,16Z,19Z)-7,8,13-trihydroxydocosapentaenoic acid|13-series resolvin 3|RvT3 http://purl.obolibrary.org/obo/CHEBI_137019 3_STAR
CHEBI:137020 biolink:ChemicalSubstance resolvin T4 A docosanoid that is (8E,10Z,14E,16Z,19Z)-docosapentaenoic acid carrying two hydroxy substituents at positions 7 and 13. PMID:26236990|PMID:27704804 phenio.json (8E,10Z,14E,16Z,19Z)-7,13-dihydroxydocosa-8,10,14,16,19-pentaenoic acid|(8E,10Z,14E,16Z,19Z)-7,13-dihydroxydocosapentaenoic acid|13-series resolvin 4|RvT4 http://purl.obolibrary.org/obo/CHEBI_137020 3_STAR
CHEBI:137034 biolink:ChemicalSubstance (18S)-resolvin E2 A member of the class of resolvins that is (6E,8Z,11Z,14Z,16E)-icosapentaenoic acid carrying two hydroxy substituents at positions 5 and 18 (the 5S,18S stereoisomer). LIPID_MAPS_instance:LMFA03070036|PMID:21206090|PMID:21712098 phenio.json (5S,18S)-dihydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoic acid|(5S,18S)-dihydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid|(5S,6E,8Z,11Z,14Z,16E,18S)-5,18-dihydroxyicosa-6,8,11,14,16-pentaenoic acid|(5S,6E,8Z,11Z,14Z,16E,18S)-5,18-dihydroxyicosapentaenoic acid|18S-RvE2|18S-resolvin E2|5S,18S-dihydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_137034 3_STAR
CHEBI:137038 biolink:ChemicalSubstance (18S)-resolvin E1 A resolvin that is (6Z,8E,10E,14Z,16E)-icosa-6,8,10,14,16-pentaenoic acid which is substituted at positions 5, 12 and 18 by hydroxy groups (the 5S,12R,18S stereoisomer). LIPID_MAPS_instance:LMFA03070035|PMID:21206090|PMID:21712098 phenio.json (5S,12R,18S)-trihydroxy-(6Z,8E,10E,14Z,16E)-eicosapentaenoic acid|(5S,12R,18S)-trihydroxy-(6Z,8E,10E,14Z,16E)-icosapentaenoic acid|(5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid|(5S,6Z,8E,10E,12R,14Z,16E,18S)-5,12,18-trihydroxyicosapentaenoic acid|18S-RvE1|18S-resolvin E1|5S,12R,18S-trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_137038 3_STAR
CHEBI:137040 biolink:ChemicalSubstance short chain fatty acyl-CoA(4-) A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any short-chain fatty acyl-CoA; major species at pH 7.3. phenio.json a short-chain fatty acyl-CoA http://purl.obolibrary.org/obo/CHEBI_137040 3_STAR
CHEBI:137041 biolink:ChemicalSubstance quinine(1+) The monoprotonated form of quinine, the predominant species at pH7.3. phenio.json (9R)-9-hydroxy-6'-methoxy-8alpha-cinchonan-1-ium|quinine http://purl.obolibrary.org/obo/CHEBI_137041 3_STAR
CHEBI:137043 biolink:ChemicalSubstance N-[(+)-7-isojasmonyl]-L-isoleucine An L-isoleucine derivative resulting from the formal condensation of the carboxy group of (+)-7-isojasmonic acid with the amino group of L-isoleucine. MetaCyc:CPD-11259|PMID:19349968|PMID:19716757|PMID:19796781|PMID:20012084|PMID:20025249|PMID:20391333|PMID:20404483|PMID:22825635|PMID:23011567|PMID:23821155|PMID:24691578|PMID:25008776|PMID:26675361|PMID:27756820|Reaxys:18883677 phenio.json (+)-7-iso-JA-Ile|(+)-7-iso-JA-L-Ile|(+)-7-isojasmonic acid-L-isoleucine conjugate|(+)-7-isojasmonyl-L-isoleucine|(2S,3S)-3-methyl-2-(2-{(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetamido)pentanoic acid|(3R,7S)-JA-L-Ile|N-({(R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine|N-[(+)-7-isojasmonyl]isoleucine|iso-JA-Ile http://purl.obolibrary.org/obo/CHEBI_137043 3_STAR
CHEBI:137044 biolink:ChemicalSubstance N-[(+)-12-hydroxy-7-isojasmonyl]isoleucine An L-isoleucine derivative resulting from the formal condensation of the carboxy group of (+)-12-hydroxy-7-isojasmonic acid with the amino group of L-isoleucine. MetaCyc:CPD-13420 phenio.json (+)-7-iso-12-hydroxyjasmonoyl-L-isoleucine|(2S,3S)-2-(2-{(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetamido)-3-methylpentanoic acid|(3R,7S)-12-OH-JA-Ile|(3R,7S)-12-hydroxyjasmonoyl-L-isoleucine|(3R,7S)-12-hydroxyjasmonoyl-isoleucine|12-OH-7-iso-JA-Ile|12-OH-7-iso-JA-L-Ile|7-iso-12-OH-JA-Ile|7-iso-12-OH-JA-L-Ile|N-({(1R,2S)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetyl)-L-isoleucine|N-[(3R,7S)-12-hydroxyjasmonyl]-L-isoleucine|N-tuberonyl-L-isoleucine|N-tuberonylisoleucine http://purl.obolibrary.org/obo/CHEBI_137044 3_STAR
CHEBI:13705 biolink:ChemicalSubstance acetoacetate A 3-oxo monocarboxylic acid anion that is the conjugate base of acetoacetic acid, arising from deprotonation of the carboxy group. CAS:141-81-1|KEGG:C00164|MetaCyc:3-KETOBUTYRATE|Reaxys:4128534|UM-BBD_compID:c0069 phenio.json 3-oxobutanoate|Acetoacetate|Acetoacetate ion(1-)|Butanoic acid, 3-oxo-, ion(1-)|acetoacetate http://purl.obolibrary.org/obo/CHEBI_13705 3_STAR
CHEBI:137079 biolink:ChemicalSubstance eukaryotic initiation factor 4F inhibitor Any compound that inihibits the mammalian protein, eukaryotic initiation factor 4F. phenio.json eIF4F inhibitor|eIF4F inhibitors|eukaryotic initiation factor 4F inhibitors http://purl.obolibrary.org/obo/CHEBI_137079 3_STAR
CHEBI:137108 biolink:ChemicalSubstance 5-dehydro-L-gluconate A ketogluconate that is the conjugate base of 5-dehydro-L-gluconic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3 MetaCyc:CPD-14806|PMID:23038265|PMID:23441918 phenio.json 5-dehydro-L-gluconate|5-keto-L-gluconate|L-5-ketogluconate|L-5-oxogluconate|L-xylo-hex-5-ulosonate http://purl.obolibrary.org/obo/CHEBI_137108 3_STAR
CHEBI:137109 biolink:ChemicalSubstance (2xi)-3-deoxy-7-O-phospho-beta-D-threo-hept-6-ulopyranosonic acid A ketoaldonic acid phosphate consisting of (2xi)-3-deoxy-beta-D-threo-hept-6-ulopyranosonic acid carrying a single phospho substituent at position 7. phenio.json (2xi)-3-deoxy-7-O-phospho-beta-D-threo-hept-6-ulopyranosonic acid|7-phospho-2-dehydro-3-deoxy-D-arabino-heptonic acid (ring form) http://purl.obolibrary.org/obo/CHEBI_137109 3_STAR
CHEBI:13711 biolink:ChemicalSubstance acetyl phosphate(1-) An acyl monophosphate(1-) that is the conjugate base of acetyl dihydrogen phosphate. phenio.json acetyl hydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_13711 3_STAR
CHEBI:137123 biolink:ChemicalSubstance EC 2.7.11.30 (receptor protein serine/threonine kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the activity of receptor protein serine/threonine kinase (EC 2.7.11.30). Wikipedia:Receptor_protein_serine/threonine_kinase phenio.json ATP:[receptor-protein] phosphotransferase inhibitor|ATP:[receptor-protein] phosphotransferase inhibitors|EC 2.7.11.30 (receptor protein serine/threonine kinase) inhibitors|EC 2.7.11.30 inhibitor|EC 2.7.11.30 inhibitors|STK13 inhibitor|STK13 inhibitors|TGF-beta kinase inhibitor|TGF-beta kinase inhibitors|activin receptor kinase inhibitor|activin receptor kinase inhibitors|inhibitor of receptor protein serine/threonine kinase|receptor protein serine/threonine kinase (EC 2.7.11.30) inhibitor|receptor protein serine/threonine kinase (EC 2.7.11.30) inhibitors|receptor protein serine/threonine kinase inhibitor|receptor protein serine/threonine kinase inhibitors|receptor serine/threonine protein kinase inhibitor|receptor serine/threonine protein kinase inhibitors|receptor type I serine/threonine protein kinase inhibitor|receptor type I serine/threonine protein kinase inhibitors|receptor type II serine/threonine protein kinase inhibitor|receptor type II serine/threonine protein kinase inhibitors http://purl.obolibrary.org/obo/CHEBI_137123 3_STAR
CHEBI:137132 biolink:ChemicalSubstance 8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid An 8-{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}octanoic acid that has 1S,2S-configuration. CAS:204135-86-4|FooDB:FDB001433|KEGG:C04780|KNApSAcK:C00000366|LIPID_MAPS_instance:LMFA02010007|PMID:16663643 phenio.json (1S,2S)-3-oxo-2-(2'Z-pentenyl)-cyclopentaneoctanoic acid|(1S,2S)-3-oxo-2-(2Z)-2-pentenyl-cyclopentaneoctanoic acid|(1S,2S)-OPC8|(9S,13S)-10,11-dihydro-12-oxo-15-phytoenoic acid|8-[(1S,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]octanoic acid|8-{(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}octanoic acid|OPC-8:0 http://purl.obolibrary.org/obo/CHEBI_137132 3_STAR
CHEBI:137137 biolink:ChemicalSubstance (5Z,7E)-(3S)-26,26,26-trifluoro-27-nor-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol LIPID_MAPS_instance:LMST03020024 phenio.json 26,26,26-trifluoro-25-hydroxy-27-norcholecalciferol|26,26,26-trifluoro-25-hydroxy-27-norvitamin D3 http://purl.obolibrary.org/obo/CHEBI_137137 2_STAR
CHEBI:13714 biolink:ChemicalSubstance 1-O-acetylmaltose An O-acyl carbohydrate consisting of maltose carrying an anomeric O-acetyl substituent. phenio.json 1-O-acetyl-4-O-alpha-D-glucopyranosyl-D-glucopyranose|1-O-acetylmaltose|alpha-D-glucopyranosyl-(1->4)-1-O-acetyl-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_13714 3_STAR
CHEBI:137149 biolink:ChemicalSubstance 1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycerol LIPID_MAPS_instance:LMGL02070009 phenio.json http://purl.obolibrary.org/obo/CHEBI_137149 2_STAR
CHEBI:137155 biolink:ChemicalSubstance phosphatidylserine 36:3 phenio.json PS(36:3) http://purl.obolibrary.org/obo/CHEBI_137155 2_STAR
CHEBI:137164 biolink:ChemicalSubstance phosphatidic acid 36:3 phenio.json PA(36:3) http://purl.obolibrary.org/obo/CHEBI_137164 2_STAR
CHEBI:137179 biolink:ChemicalSubstance UDP-2,3-diacyl-alpha-D-glucosamine(2-) A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of any UDP-2,3-diacyl-alpha-D-glucosamine; major species at pH 7.3. PMID:27006461 phenio.json UDP-2,3-diacyl-alpha-D-glucosamine http://purl.obolibrary.org/obo/CHEBI_137179 3_STAR
CHEBI:137180 biolink:ChemicalSubstance 2,3-diacyl-alpha-D-glucosaminyl 1-phosphate An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of any 2,3-diacyl-alpha-D-glucosaminyl 1-phosphate. Major microspecies at pH 7.3 PMID:27006461 phenio.json 2,3-diacyl-alpha-D-glucosaminyl 1-phosphate http://purl.obolibrary.org/obo/CHEBI_137180 3_STAR
CHEBI:137182 biolink:ChemicalSubstance N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc}-Asn residue An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc}-Asn. MetaCyc:N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F phenio.json N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc}-Asn residue http://purl.obolibrary.org/obo/CHEBI_137182 3_STAR
CHEBI:137186 biolink:ChemicalSubstance N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-beta-D-GlcNAc}-Asn residue An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-beta-D-GlcNAc}-Asn. MetaCyc:N4-N-ACETYL-BETA-D-GLUCOSAMINYL-X phenio.json N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-beta-D-GlcNAc}-L-Asn residue http://purl.obolibrary.org/obo/CHEBI_137186 3_STAR
CHEBI:13719 biolink:ChemicalSubstance acetylsalicylate A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group. HMDB:HMDB0001879|MetaCyc:CPD-524|Reaxys:3906821 phenio.json 2-(acetyloxy)benzoate|acetylsalicylate http://purl.obolibrary.org/obo/CHEBI_13719 3_STAR
CHEBI:1372 biolink:ChemicalSubstance 1-pyrroline-5-carboxylic acid A 1-pyrrolinecarboxylic acid that is 1-pyrroline in which one of the hydrogens at position 5 is replaced by a carboxy group. CAS:2906-39-0|HMDB:HMDB0001301|KEGG:C04322|Reaxys:111941 phenio.json 3,4-Dihydro-2H-Pyrrole-2-carboxylate|3,4-dihydro-2H-pyrrole-2-carboxylic acid|Delta(1)-pyrroline-5-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_1372 3_STAR
CHEBI:137207 biolink:ChemicalSubstance N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-[alpha-L-Fuc-(1->6)]-beta-D-GlcNAc}-Asn residue An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-[alpha-L-Fuc-(1->6)]-beta-D-GlcNAc}-Asn. MetaCyc:N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6 phenio.json N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAcl-(1->4)-[alpha-L-Fuc-(1->6)]-beta-D-GlcNAc}-L-asparagine residue http://purl.obolibrary.org/obo/CHEBI_137207 3_STAR
CHEBI:137218 biolink:ChemicalSubstance 3-methyladenine DNA PMID:10675345 phenio.json http://purl.obolibrary.org/obo/CHEBI_137218 2_STAR
CHEBI:137236 biolink:ChemicalSubstance ilomastat An N-acyl-amino acid obtained by formal condensation of the carboxy group of (2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the amino group of N-methyl-L-tryptophanamide. A cell permeable broad-spectrum matrix metalloproteinase (MMP) inhibitor CAS:142880-36-2|KEGG:D03793|LINCS:LSM-3143|PDBeChem:GM6|PMID:12410973|PMID:14568001|PMID:15350544|PMID:16565079|PMID:16712832|PMID:18782669|PMID:18790756|PMID:18837084|PMID:19545667|PMID:20299089|PMID:20818082|PMID:21040999|PMID:21146503|PMID:22512086|PMID:22903888|PMID:23141517|PMID:23870824|PMID:24380772|PMID:24589605|PMID:25576979|PMID:26171681|PMID:26394037|PMID:27038494|PMID:27112177|PMID:27296149|PMID:27708133|PMID:27743382|PMID:28297575|PMID:28298987|PMID:28417261|Reaxys:7982373|Wikipedia:Ilomastat phenio.json (2R)-N(4)-hydroxy-N(1)-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide|CS 610|GM 6001|GM-6001|GM6001|galardin|ilomastat http://purl.obolibrary.org/obo/CHEBI_137236 3_STAR
CHEBI:137257 biolink:ChemicalSubstance omega-[(methylsulfanyl)alkyl]glucosinolic acid A thia-alkylglucosinolic acid in which the thia-alkyl substituent can be any omega-(methylsulfanyl)alkyl group. MetaCyc:Aliphatic-glucosinolates phenio.json omega-[(methylsulfanyl)alkyl]glucosinolic acids http://purl.obolibrary.org/obo/CHEBI_137257 3_STAR
CHEBI:137328 biolink:ChemicalSubstance epoxy(hydroxy)icosatrienoate An icosanoid anion obtained by the deprotonation of the carboxy group of any epoxy(hydroxy)icosatrienoic acid. phenio.json HEETA anion|HEETA(1-)|a hydroxy-epoxy-eicosatetraenoate|epoxy(hydroxy)eicosatrienoate|epoxy(hydroxy)eicosatrienoates|epoxy(hydroxy)icosatrienoates http://purl.obolibrary.org/obo/CHEBI_137328 3_STAR
CHEBI:137346 biolink:ChemicalSubstance (14R)-HDoHE A 14-HDoHE in which the stereocentre at position 14 has R-configuration. PMID:19965612|PMID:25200603|Reaxys:27627498 phenio.json (14R)-HDHA|(14R)-hydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid|(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid|(4Z,7Z,10Z,12E,14R,16Z,19Z)-14-hydroxydocosahexaenoic acid|14(R)-HDHA|14(R)-HDoHE http://purl.obolibrary.org/obo/CHEBI_137346 3_STAR
CHEBI:137347 biolink:ChemicalSubstance (14S)-HDoHE A 14-HDoHE in which the stereocentre at position 14 has S-configuration. PMID:25200603|Reaxys:5564836 phenio.json (14S)-HDHA|(14S)-hydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid|(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoic acid|(4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosahexaenoic acid|14(S)-HDHA|14(S)-HDoHE|14S-HDHA http://purl.obolibrary.org/obo/CHEBI_137347 3_STAR
CHEBI:137348 biolink:ChemicalSubstance dihydroxydocosahexaenoic acid A docosanoid that consists of any docosahexaenoic acid carrying two hydroxy substituents at unspecified positions. phenio.json DiHDHA|DiHDoHE http://purl.obolibrary.org/obo/CHEBI_137348 3_STAR
CHEBI:137349 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14S,16Z,19Z)-14,22-dihydroxydocosahexaenoic acid A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14S- and 22-positions. PMID:25200603|Reaxys:27627499 phenio.json (14S,22)-DiHDoHE|(14S,22)-diHDHA|(14S,22)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid|(4Z,7Z,10Z,12E,14S,16Z,19Z)-14,22-dihydroxydocosa-4,7,10,12,16,19-hexaenoic acid|14(S),22-diHDHA|14(S),22-dihydroxydocosahexaenoic acid|MaR-L1|maresin-L1 http://purl.obolibrary.org/obo/CHEBI_137349 3_STAR
CHEBI:137350 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosahexaenoic acid A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14R- and 22-positions. PMID:25200603|Reaxys:27627500 phenio.json (14R,22)-DiHDoHE|(14R,22)-diHDHA|(14R,22)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid|(4Z,7Z,10Z,12E,14R,16Z,19Z)-14,22-dihydroxydocosa-4,7,10,12,16,19-hexaenoic acid|14(R),22-diHDHA|14(R),22-dihydroxydocosahexaenoic acid|MaR-L2|maresin-L2 http://purl.obolibrary.org/obo/CHEBI_137350 3_STAR
CHEBI:137354 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14S,16Z,19Z,21R)-dihydroxydocosahexaenoic acid A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14S- and 21R-positions. PMID:19965612|PMID:21112969|PMID:21839062|PMID:21846180|PMID:23386851 phenio.json (14S,21R)-DiHDoHE|(14S,21R)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid|(4Z,7Z,10Z,12E,14S,16Z,19Z,21R)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoic acid|14(S),21(R)-diHDHA|14(S),21(R)-dihydroxydocosahexaenoic acid|14S,21R-diHDHA http://purl.obolibrary.org/obo/CHEBI_137354 3_STAR
CHEBI:137360 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14S,16Z,19Z,21S)-dihydroxydocosahexaenoic acid A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14S- and 21S-positions. PMID:19965612 phenio.json (14S,21S)-DiHDoHE|(14S,21S)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid|(4Z,7Z,10Z,12E,14S,16Z,19Z,21S)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoic acid|14(S),21(S)-diHDHA|14(S),21(S)-dihydroxydocosahexaenoic acid|14S,21S-diHDHA http://purl.obolibrary.org/obo/CHEBI_137360 3_STAR
CHEBI:137361 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14R,16Z,19Z,21R)-dihydroxydocosahexaenoic acid A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14R- and 21R-positions. PMID:19965612 phenio.json (14R,21R)-DiHDoHE|(14R,21R)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid|(4Z,7Z,10Z,12E,14R,16Z,19Z,21R)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoic acid|14(R),21(R)-diHDHA|14(R),21(R)-dihydroxydocosahexaenoic acid|14R,21R-diHDHA http://purl.obolibrary.org/obo/CHEBI_137361 3_STAR
CHEBI:137368 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid A dihydroxydocosahexaenoic acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 14R- and 21S-positions. PMID:19965612 phenio.json (14R,21S)-DiHDoHE|(14R,21S)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid|(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoic acid|14(R),21(S)-diHDHA|14(R),21(S)-dihydroxydocosahexaenoic acid|14R,21S-diHDHA http://purl.obolibrary.org/obo/CHEBI_137368 3_STAR
CHEBI:137401 biolink:ChemicalSubstance capsaicin receptor agonist An agonist that binds to and activates capsaicin receptors Wikipedia:TRPV1 phenio.json TRPV1 agonist|TRPV1 agonists|capsaicin agonist|capsaicin agonists|capsaicin receptor agonists|transient receptor potential cation channel subfamily V member 1 agonist|transient receptor potential cation channel subfamily V member 1 agonists|vanilloid receptor 1 agonist|vanilloid receptor 1 agonists http://purl.obolibrary.org/obo/CHEBI_137401 3_STAR
CHEBI:137405 biolink:ChemicalSubstance (S)-2-halocarboxylic acid anion A carboxylic acid anion obtained by deprotonation of the carboxy group of any (S)-2-halocarboxylic acid; major species at pH 7.3. MetaCyc:S-2-Haloacids phenio.json (S)-2-haloacids|(S)-2-halocarboxylate|(S)-2-halocarboxylates|(S)-2-halocarboxylic acid anions|an (S)-2-haloacid http://purl.obolibrary.org/obo/CHEBI_137405 3_STAR
CHEBI:137406 biolink:ChemicalSubstance (R)-2-halocarboxylic acid anion A carboxylic acid anion obtained by deprotonation of the carboxy group of any (R)-2-halocarboxylic acid; major species at pH 7.3. MetaCyc:R-2-Haloacids phenio.json (R)-2-haloacids|(R)-2-halocarboxylate|(R)-2-halocarboxylates|(R)-2-halocarboxylic acid anions|an (R)-2-haloacid http://purl.obolibrary.org/obo/CHEBI_137406 3_STAR
CHEBI:137407 biolink:ChemicalSubstance (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(2-) A docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid; major species at pH 7.3. PMID:27791009 phenio.json (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate|(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-14-hydroxydocosa-4,7,9,11,16,19-hexaenoate|MCTR1(2-) http://purl.obolibrary.org/obo/CHEBI_137407 3_STAR
CHEBI:137408 biolink:ChemicalSubstance (13R)-glycinylcystein-S-yl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1-) A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the glutamyl alpha-amino group of (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid; major species at pH 7.3. PMID:27791009 phenio.json (13R)-S-cysteinylglycyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate|(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13-({(2R)-2-azaniumyl-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-14-hydroxydocosa-4,7,9,11,16,19-hexaenoate|MCTR2(1-) http://purl.obolibrary.org/obo/CHEBI_137408 3_STAR
CHEBI:137410 biolink:ChemicalSubstance (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1-) A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the glutamyl alpha-amino group of (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid; major species at pH 7.3. PMID:27791009 phenio.json (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate|(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}-14-hydroxydocosa-4,7,9,11,16,19-hexaenoate|MCTR3(1-) http://purl.obolibrary.org/obo/CHEBI_137410 3_STAR
CHEBI:137419 biolink:ChemicalSubstance secondary ammonium ion An organic cation obtained by protonation of any secondary amino compound; major species at pH 7.3. MetaCyc:Secondary-Amines phenio.json a secondary amine|secondary amine(1+) http://purl.obolibrary.org/obo/CHEBI_137419 3_STAR
CHEBI:137431 biolink:ChemicalSubstance antihypotensive agent A cardiovascular drug that tends to raise reduced blood pressure. Wikipedia:Antihypotensive_agent phenio.json antihypotensive agents|pressor|pressors|vasopressor agent|vasopressor agents http://purl.obolibrary.org/obo/CHEBI_137431 3_STAR
CHEBI:137442 biolink:ChemicalSubstance (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate A docosanoid anion that is the conjugate base of (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:25036362 phenio.json (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate|(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoate|(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosahexaenoate|MaR2(1-)|maresin 2(1-) http://purl.obolibrary.org/obo/CHEBI_137442 3_STAR
CHEBI:137443 biolink:ChemicalSubstance furanochromone An organic heterotricyclic compound that is chromone which is ortho-fused to a furan ring and its substituted derivatives thereof. PMID:12967041|PMID:3768467|Wikipedia:Furanochromone phenio.json furanochromones http://purl.obolibrary.org/obo/CHEBI_137443 3_STAR
CHEBI:137495 biolink:ChemicalSubstance 13(R)-HODE A 13-HODE in which the stereocentre at position 13 has S-configuration. CAS:10219-69-9|Reaxys:4316130 phenio.json (13R)-HODE|(13R)-hydroxy-(9Z,11E)-octadecadienoic acid|(9Z,11E,13R)-13-hydroxyoctadeca-9,11-dienoic acid|(9Z,11E,13R)-13-hydroxyoctadecadienoic acid http://purl.obolibrary.org/obo/CHEBI_137495 3_STAR
CHEBI:137502 biolink:ChemicalSubstance (S)-2,4-dihydroxy-3-oxobutanoic acid A ketoaldonic acid that is butyric acid carrying an oxo substituent at position 3 as well as two hydroxy substituents at positions 2 and 4 (the S-enantiomer). MetaCyc:CPD-19884 phenio.json (2S)-2,4-dihydroxy-3-oxobutanoic acid|3-dehydro-D-threonic acid|3-dehydro-L-erythronic acid http://purl.obolibrary.org/obo/CHEBI_137502 3_STAR
CHEBI:137504 biolink:ChemicalSubstance quinoxaline herbicide A quinoxaline pesticide that has herbicidal activity. phenio.json quinoxaline herbicides http://purl.obolibrary.org/obo/CHEBI_137504 3_STAR
CHEBI:137507 biolink:ChemicalSubstance quizalofop-P A 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid that has R configuration. An acetyl-CoA carboxylase inhibitor, it is used (generally as the corresponding ethyl or tefuryl ester proherbicides) for the control of annual and perennial grass weeds in sugar beet. CAS:94051-08-8|PMID:24964043|PMID:26971169|PMID:28692891|Pesticides:quizalofop-p|Reaxys:8395822 phenio.json (+)-quizalofop|(+)-quizalofop-acid|(2R)-2-[4-[(6-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid|(2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid|(R)-(+)-quizalofop|(R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenoxy]propionic acid|(R)-quizalofop|DPX-Y 6202-31 http://purl.obolibrary.org/obo/CHEBI_137507 3_STAR
CHEBI:137509 biolink:ChemicalSubstance 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid A monocarboxylic acid that is 2-phenoxypropanoic acid in which the phenyl group is substituted at the para position by a (6-chloroquinoxalin-2-yl)oxy group. phenio.json 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid|2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionic acid http://purl.obolibrary.org/obo/CHEBI_137509 3_STAR
CHEBI:137513 biolink:ChemicalSubstance (S)-quizalofop A 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid that has S configuration. It is the (inactive) enantiomer of the herbicide quizalofop-P. phenio.json (-)-quizalofop|(-)-quizalofop-acid|(2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid|(2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionic acid http://purl.obolibrary.org/obo/CHEBI_137513 3_STAR
CHEBI:137514 biolink:ChemicalSubstance TRPA1 channel agonist An agonist at the transient receptor potential cation channel A1 (TRPA1). Wikipedia:TRPA1 phenio.json TRPA1 channel agonists|transient receptor potential ankyrin 1 agonist|transient receptor potential ankyrin 1 agonists|transient receptor potential cation channel A1 agonist|transient receptor potential cation channel A1 agonists http://purl.obolibrary.org/obo/CHEBI_137514 3_STAR
CHEBI:137545 biolink:ChemicalSubstance pivaloyl-CoA A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pivalic acid. CAS:137415-16-8|PDBeChem:52O|PMID:12429869|PMID:1891775|PMID:22167181|PMID:22803641|PMID:25720495|PMID:26134562|Reaxys:22539663 phenio.json 2,2-dimethylpropanoyl-CoA|2,2-dimethylpropionyl-CoA|3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(2,2-dimethylpropanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)|pivalyl-CoA|pivalyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_137545 3_STAR
CHEBI:137550 biolink:ChemicalSubstance N-(fatty acyl)-L-alpha-amino acid An N-acyl-L-alpha-amino acid resulting from the formal condensation of the carboxy group of any fatty acid with the amino group of any L-amino acid. phenio.json N-(fatty acyl)-L-alpha-amino acids http://purl.obolibrary.org/obo/CHEBI_137550 3_STAR
CHEBI:137566 biolink:ChemicalSubstance EC 2.5.1.48 (cystathionine gamma-synthase) inhibitor An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of cystathionine gamma-synthase (EC 2.5.1.48). Wikipedia:Cystathionine_gamma-synthase phenio.json 4-O-succinyl-L-homoserine:L-cysteine S-(3-amino-3-carboxypropyl)transferase inhibitor|4-O-succinyl-L-homoserine:L-cysteine S-(3-amino-3-carboxypropyl)transferase inhibitors|EC 2.5.1.48 (cystathionine gamma-synthase) inhibitors|EC 2.5.1.48 inhibitor|EC 2.5.1.48 inhibitors|O(4)-succinyl-L-homoserine:L-cysteine S-(3-amino-3-carboxypropyl)transferase inhibitor|O(4)-succinyl-L-homoserine:L-cysteine S-(3-amino-3-carboxypropyl)transferase inhibitors|O-succinyl-L-homoserine succinate-lyase (adding cysteine) inhibitor|O-succinyl-L-homoserine succinate-lyase (adding cysteine) inhibitors|O-succinylhomoserine (thiol)-lyase inhibitor|O-succinylhomoserine (thiol)-lyase inhibitors|O-succinylhomoserine synthase inhibitor|O-succinylhomoserine synthase inhibitors|O-succinylhomoserine synthetase inhibitor|O-succinylhomoserine synthetase inhibitors|cystathionine gamma-synthase inhibitor|cystathionine gamma-synthase inhibitors|cystathionine synthase inhibitor|cystathionine synthase inhibitors|cystathionine synthetase inhibitor|cystathionine synthetase inhibitors|homoserine O-transsuccinylase inhibitor|homoserine O-transsuccinylase inhibitors|homoserine transsuccinylase inhibitor|homoserine transsuccinylase inhibitors http://purl.obolibrary.org/obo/CHEBI_137566 3_STAR
CHEBI:137568 biolink:ChemicalSubstance Cer(d34:0) phenio.json http://purl.obolibrary.org/obo/CHEBI_137568 2_STAR
CHEBI:137569 biolink:ChemicalSubstance Cer(d34:1) phenio.json http://purl.obolibrary.org/obo/CHEBI_137569 2_STAR
CHEBI:13757 biolink:ChemicalSubstance n-alk-2-enal An enal obtained by formal dehydrogenation across positions 2 and 3 of any n-alkanal phenio.json an alk-2-enal http://purl.obolibrary.org/obo/CHEBI_13757 3_STAR
CHEBI:137570 biolink:ChemicalSubstance Cer(d38:1) phenio.json http://purl.obolibrary.org/obo/CHEBI_137570 2_STAR
CHEBI:137571 biolink:ChemicalSubstance Cer(d40:1) phenio.json http://purl.obolibrary.org/obo/CHEBI_137571 2_STAR
CHEBI:137573 biolink:ChemicalSubstance Cer(d43:1) phenio.json http://purl.obolibrary.org/obo/CHEBI_137573 2_STAR
CHEBI:137586 biolink:ChemicalSubstance alkyl,acylglyceride phenio.json http://purl.obolibrary.org/obo/CHEBI_137586 2_STAR
CHEBI:13759 biolink:ChemicalSubstance alkylamine Any primary amine in which the substituent attached to nitrogen is an alkyl group. KEGG:C01664 phenio.json Alkylamine http://purl.obolibrary.org/obo/CHEBI_13759 3_STAR
CHEBI:137593 biolink:ChemicalSubstance (2E,4Z)-deca-2,4-dienoyl-CoA(4-) A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate functions of (2E,4Z)-deca-2,4-dienoyl-CoA; major species at pH 7.3. MetaCyc:CPD-15654|PMID:6363415 phenio.json (2E,4Z)-decadienoyl-CoA http://purl.obolibrary.org/obo/CHEBI_137593 3_STAR
CHEBI:137598 biolink:ChemicalSubstance 4-aminosalicylate(1-) An aminobenzoate that is the conjugate base of 4-aminosalicylic acid, obtained by deprotonation of the carboxy group. Major miscrospecies at pH 7.3. MetaCyc:CPD-8817|PMID:23118010|Reaxys:3906055 phenio.json 4-aminosalicylate http://purl.obolibrary.org/obo/CHEBI_137598 3_STAR
CHEBI:137599 biolink:ChemicalSubstance long-chain 3-oxo-fatty acyl-CoA A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any long-chain (C13 to C22) 3-oxo-fatty acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_137599 3_STAR
CHEBI:137626 biolink:ChemicalSubstance EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitor An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that interferes with the action of 11beta-hydroxysteroid dehydrogenase (EC 1.1.1.146). phenio.json 11beta-hydroxy steroid dehydrogenase inhibitor|11beta-hydroxy steroid dehydrogenase inhibitors|11beta-hydroxysteroid dehydrogenase inhibitor|11beta-hydroxysteroid dehydrogenase inhibitors|11beta-hydroxysteroid dehydrogenase type 1 inhibitor|11beta-hydroxysteroid dehydrogenase type 1 inhibitors|11beta-hydroxysteroid:NADP(+) 11-oxidoreductase inhibitor|11beta-hydroxysteroid:NADP(+) 11-oxidoreductase inhibitors|EC 1.1.1.146 (11beta-hydroxysteroid dehydrogenase) inhibitors|EC 1.1.1.146 inhibitor|EC 1.1.1.146 inhibitors|beta-hydroxysteroid dehydrogenase inhibitor|beta-hydroxysteroid dehydrogenase inhibitors|corticosteroid 11-reductase inhibitor|corticosteroid 11-reductase inhibitors|corticosteroid 11beta-dehydrogenase inhibitor|corticosteroid 11beta-dehydrogenase inhibitors|dehydrogenase, 11beta-hydroxy steroid inhibitor|dehydrogenase, 11beta-hydroxy steroid inhibitors http://purl.obolibrary.org/obo/CHEBI_137626 3_STAR
CHEBI:137639 biolink:ChemicalSubstance long-chain (3S)-hydroxy fatty acyl-CoA A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any long-chain (C13 to C22) (3S)-hydroxy-fatty acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_137639 3_STAR
CHEBI:137650 biolink:ChemicalSubstance short-chain (3S)-hydroxy fatty acyl-CoA A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any short-chain (C3 to C5) (3S)-hydroxy-fatty acid. phenio.json (3S)-short-chain hydroxy fatty acyl-CoA http://purl.obolibrary.org/obo/CHEBI_137650 3_STAR
CHEBI:137661 biolink:ChemicalSubstance allocholate A bile acid anion that is the conjugate base of allocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. MetaCyc:CPD-16581|PMID:22021638 phenio.json (3alpha,5alpha,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oate|3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-oate|5alpha-cholate|allocholate http://purl.obolibrary.org/obo/CHEBI_137661 3_STAR
CHEBI:137682 biolink:ChemicalSubstance methylhistidine phenio.json methylhistidines http://purl.obolibrary.org/obo/CHEBI_137682 2_STAR
CHEBI:137684 biolink:ChemicalSubstance Papio hamadryas metabolite Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas. phenio.json P. hamadryas metabolite|P. hamadryas metabolites|Papio hamadryas metabolites http://purl.obolibrary.org/obo/CHEBI_137684 3_STAR
CHEBI:13769 biolink:ChemicalSubstance aminohydroquinone Beilstein:2802548 phenio.json 2-aminobenzene-1,4-diol|aminohydroquinone http://purl.obolibrary.org/obo/CHEBI_13769 3_STAR
CHEBI:137700 biolink:ChemicalSubstance 3-carboxy-3-hydroxypropanoyl-CoA A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 3-carboxy group of 3-carboxy-3-hydroxypropanoic acid. CAS:2043-93-8|MetaCyc:CPD-15846 phenio.json 3-malyl-CoA|Malyl-coenzyme A|malyl-CoA http://purl.obolibrary.org/obo/CHEBI_137700 3_STAR
CHEBI:137740 biolink:ChemicalSubstance UDP-3-O-[(3R)-hydroxyacyl]-alpha-D-glucosamine(1-) A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of any UDP-3-O-[(3R)-hydroxyacyl]-alpha-D-glucosamine. Major microspecies at pH 7.3. phenio.json a UDP-3-O-[(3R)-3-hydroxyacyl]-alpha-D-glucosamine http://purl.obolibrary.org/obo/CHEBI_137740 3_STAR
CHEBI:137811 biolink:ChemicalSubstance phenoxy radical An organic radical generated from phenol. CAS:2122-46-5|PMID:12351824|PMID:30566134|PMID:32083853|PMID:33368926 phenio.json C6H5-O(.)|phenolic radical|phenoxy|phenoxyl|phenyloxidanyl http://purl.obolibrary.org/obo/CHEBI_137811 3_STAR
CHEBI:13790 biolink:ChemicalSubstance N-acetylarylamine An acetamide where at at least one of the amide hydrogens is substituted by an aryl group. RNHAc where R is an aryl group. phenio.json N-acetylarylamine|N-acetylarylamines|N-arylacetamide|an N-acetylarylamine http://purl.obolibrary.org/obo/CHEBI_13790 3_STAR
CHEBI:13792 biolink:ChemicalSubstance N-hydroxyarylamine Any hydroxylamine where the nitrogen is attached directly to an aryl group. phenio.json an N-hydroxyarylamine http://purl.obolibrary.org/obo/CHEBI_13792 3_STAR
CHEBI:137923 biolink:ChemicalSubstance 5'-end ribonucleotide(1-) residue An organic anionic group obtained by deprotonation of one of the phosphate OH groups of any 5'-end ribonucleotide residue. PMID:4709937 phenio.json http://purl.obolibrary.org/obo/CHEBI_137923 3_STAR
CHEBI:137932 biolink:ChemicalSubstance 5-dehydro-L-gluconic acid A ketogluconic acid that is L-gluconic acid in which the hydroxy group at position 2 has been oxidised to the corresponding ketone. MetaCyc:CPD-14806|PMID:23441918|Reaxys:1726806 phenio.json 5-keto-L-gluconic acid|L-5-ketogluconic acid|L-5-oxogluconic acid|L-xylo-hex-5-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_137932 3_STAR
CHEBI:137933 biolink:ChemicalSubstance N(4)-methyl-dCMP(1-) residue An organic anionic group obtained by deprotonation of the phosphate OH group of an N(4)-methyl-dCMP residue; major species at pH 7.3. phenio.json N(4)-methyl-dCMP residue http://purl.obolibrary.org/obo/CHEBI_137933 3_STAR
CHEBI:137934 biolink:ChemicalSubstance polyprenal Any enal having a polyprenyl chain. KEGG:C15604 phenio.json polyprenal|polyprenals http://purl.obolibrary.org/obo/CHEBI_137934 3_STAR
CHEBI:137935 biolink:ChemicalSubstance S-polyprenyl-L-cysteine zwitterion An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of S-polyprenyl-L-cysteine; major species at pH 7.3. phenio.json an S-prenyl-L-cysteine http://purl.obolibrary.org/obo/CHEBI_137935 3_STAR
CHEBI:137941 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminide Any glycoside derived from beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosamine KEGG:C01311 phenio.json a beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl derivative http://purl.obolibrary.org/obo/CHEBI_137941 3_STAR
CHEBI:137952 biolink:ChemicalSubstance UDP-2,3-diacyl-alpha-D-glucosamine A UDP-amino sugar in which the amino sugar component can be any 2,3-diacyl-alpha-D-glucosamine. PMID:27006461 phenio.json UDP-2,3-diacyl-alpha-D-glucosamines http://purl.obolibrary.org/obo/CHEBI_137952 3_STAR
CHEBI:137954 biolink:ChemicalSubstance N(6)-[(E)-but-2-enoyl]-L-lysine residue An N(6)-acyl-L-lysine residue derived from N(6)-[(E)-but-2-enoyl]-L-lysine. PMID:25818647 phenio.json N(6)-(E)-but-2-enoyl-L-lysine residue|N(6)-crotonyl-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_137954 3_STAR
CHEBI:137955 biolink:ChemicalSubstance N(6)-butyryl-L-lysine residue An N(6)-acyl-L-lysine residue derived from N(6)-butyryl-L-lysine. PMID:27105113 phenio.json N(6)-butanoyl-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_137955 3_STAR
CHEBI:13796 biolink:ChemicalSubstance S-polyprenyl-L-cysteine An S-hydrocarbyl-L-cysteine in which the hydrocarbyl component can be any polyprenyl group. phenio.json S-polyprenyl-L-cysteines http://purl.obolibrary.org/obo/CHEBI_13796 3_STAR
CHEBI:137967 biolink:ChemicalSubstance N(6)-acyl-L-lysine residue An L-alpha-amino acid residue derived from any N(6)-acyl-L-lysine. phenio.json N(6)-acyl-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_137967 3_STAR
CHEBI:137976 biolink:ChemicalSubstance S-acetyl-O-[2'-(5-phosphoribosyl)-3'-dephospho-CoA]-L-serine(3-) residue An organic anionic group obtained by deprotonation of the phosphate and diphosphate OH groups of S-acetyl O-[2'-(5-phosphoribosyl)-3'-dephospho-CoA]-L-serine residue. phenio.json S-acetyl-O-[2'-(5-phosphoribosyl)-3'-dephospho-CoA]-L-serine(3-) residue http://purl.obolibrary.org/obo/CHEBI_137976 3_STAR
CHEBI:137979 biolink:ChemicalSubstance D-galactosylglycerol Any galactosylglycerol resulting from the formal condensation of one of the hydroxy groups of glycerol with anomeric hydroxy group of D-galactose. phenio.json http://purl.obolibrary.org/obo/CHEBI_137979 3_STAR
CHEBI:137980 biolink:ChemicalSubstance metalloid atom An atom of an element that exhibits properties that are between those of metals and nonmetals, or that has a mixture of them. The term generally includes boron, silicon, germanium, arsenic, antimony, and tellurium, while carbon, aluminium, selenium, polonium, and astatine are less commonly included. Wikipedia:Metalloid phenio.json metalloid|metalloids http://purl.obolibrary.org/obo/CHEBI_137980 3_STAR
CHEBI:137981 biolink:ChemicalSubstance 5-amino-1-(5-phosphonato-beta-D-ribosyl)imidazol-3-ium An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as protonation of the endocyclic nitrogen at position 3 in the imidazole ring of 5-amino-1-(5-phospho-beta-D-ribosyl)imidazole. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). MetaCyc:5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE|PMID:2684279|PMID:3530323 phenio.json 5-amino-1-(5-O-phosphonato-beta-D-ribofuranosyl)-1H-imidazol-3-ium|5-amino-1-(5-phospho-beta-D-ribosyl)imidazole http://purl.obolibrary.org/obo/CHEBI_137981 3_STAR
CHEBI:137982 biolink:ChemicalSubstance tertiary ammonium ion An organic cation obtained by protonation of the amino group of any tertiary amino compound. phenio.json a tertiary amine|tertiary amine(1+)|tertiary ammonium ions http://purl.obolibrary.org/obo/CHEBI_137982 3_STAR
CHEBI:137983 biolink:ChemicalSubstance methylated tertiary amine A quaternary ammonium ion obtained by methylation of any tertiary amine phenio.json a methylated tertiary amine http://purl.obolibrary.org/obo/CHEBI_137983 3_STAR
CHEBI:137986 biolink:ChemicalSubstance (beta-Asp-Arg)n zwitterion A zwitterion derived from (beta-Asp-Arg)n. Major microspecies at pH 7.3. phenio.json (beta-L-Asp-L-Arg)n zwitterion|[L-4-(L-arginin-2-N-yl)aspartate]n http://purl.obolibrary.org/obo/CHEBI_137986 3_STAR
CHEBI:137990 biolink:ChemicalSubstance (beta-Asp-Arg)n-Asp(1-) A peptide anion that is the conjugate base of (beta-Asp-Arg)n-Asp; major species at pH 7.3. phenio.json [L-4-(L-arginin-2-N-yl)aspartate]n-L-aspartate http://purl.obolibrary.org/obo/CHEBI_137990 3_STAR
CHEBI:138000 biolink:ChemicalSubstance 3-(1-methylpyrrolidin-2-yl)pyridine An N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2. phenio.json 3-(1-methylpyrrolidin-2-yl)pyridine http://purl.obolibrary.org/obo/CHEBI_138000 3_STAR
CHEBI:138011 biolink:ChemicalSubstance 6-(alpha-D-glucose-1-phospho)-alpha-D-mannoside(1-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any 6-(alpha-D-glucose-1-phospho)-alpha-D-mannoside; major species at pH 7.3. phenio.json 6-(alpha-D-glucose-1-phospho)-alpha-D-mannosyl derivative http://purl.obolibrary.org/obo/CHEBI_138011 3_STAR
CHEBI:138013 biolink:ChemicalSubstance Z-DEVD-FMK A tetrapeptide consisting of Fmoc-L-aspartic acid 4-methyl ester, methyl L-alpha-glutamic acid 5-methyl ester, L-valine and the fluoromethyl ketone derived from the 1-carboxy group of L-aspartic acid 4-methyl ester coupled in sequence. It is a specific, irreversible caspase-3 inhibitor that also shows potent inhibition of caspase-6, caspase-7, caspase-8, and caspase-10. PMID:15529012|PMID:16099247|PMID:16756133|PMID:18040669|PMID:21211221|PMID:24101734|PMID:24724067|PMID:25492116|PMID:25588462|PMID:26170924|PMID:27058316|PMID:28278848|Reaxys:9977166 phenio.json N-[(phenylmethoxy)carbonyl]-L-alpha-aspartyl-L-alpha-glutamyl-N-[(1S)-3-fluoro-1-(2-methoxy-2-oxoethyl)-2-oxopropyl]-L-valinamide, 1,2-dimethyl ester|Z-Asp(OMe)-Glu(OMe)-Val-Asp(OMe)-fluoromethylketone|Z-DEVD-fluoromethylketone|benzyloxycarbonyl-Asp(OMe)-Glu(OMe)-Val-Asp(OMe)-fluoromethylketone|benzyloxycarbonyl-Asp-Glu-Val-Asp-fluoromethylketone|methyl (4S)-5-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-4-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoyl]amino}-5-oxopentanoate|methyl (5S,8S,11S,14S)-14-(fluoroacetyl)-11-isopropyl-5-(2-methoxy-2-oxoethyl)-8-(3-methoxy-3-oxopropyl)-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazahexadecan-16-oate|specific inhibitor of caspase-3 http://purl.obolibrary.org/obo/CHEBI_138013 3_STAR
CHEBI:138014 biolink:ChemicalSubstance EC 3.4.22.56 (caspase-3) inhibitor An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of caspase-3 (EC 3.4.22.56). Wikipedia:Caspase_3 phenio.json CASP-3 inhibitor|CASP-3 inhibitors|CPP32 inhibitor|CPP32 inhibitors|EC 3.4.22.56 (caspase-3) inhibitors|EC 3.4.22.56 inhibitor|EC 3.4.22.56 inhibitors|apopain inhibitor|apopain inhibitors|caspase-3 (EC 3.4.22.56) inhibitor|caspase-3 (EC 3.4.22.56) inhibitors|caspase-3 inhibitor|caspase-3 inhibitors|yama protein inhibitor|yama protein inhibitors http://purl.obolibrary.org/obo/CHEBI_138014 3_STAR
CHEBI:138015 biolink:ChemicalSubstance endocrine disruptor Any compound that can disrupt the functions of the endocrine (hormone) system PMID:27929035|PMID:28356401|PMID:28526231|Wikipedia:Endocrine_disruptor phenio.json endocrine disrupting chemical|endocrine disrupting chemicals|endocrine disrupting compound|endocrine disrupting compounds|endocrine disruptors|endocrine-disrupting chemical|endocrine-disrupting chemicals|hormonally active agent|hormonally active agents http://purl.obolibrary.org/obo/CHEBI_138015 3_STAR
CHEBI:138019 biolink:ChemicalSubstance N(6)-propanoyl-L-lysine residue An N(6)-acyl-L-lysine residue derived from N(6)-propanoyl-L-lysine. PMID:17267393 phenio.json N(6)-propanoyl-L-lysine residue|N(6)-propanoyllysine residue|N(6)-propionyl-L-lysine residue|N(6)-propionyllysine residue http://purl.obolibrary.org/obo/CHEBI_138019 3_STAR
CHEBI:138021 biolink:ChemicalSubstance (3S)-3-hydroxy-L-histidine residue An L-alpha-amino acid residue derived from (3S)-3-hydroxy-L-histidine. PMID:23103944 phenio.json (3S)-3-hydroxy-L-histidine residue http://purl.obolibrary.org/obo/CHEBI_138021 3_STAR
CHEBI:138024 biolink:ChemicalSubstance alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide Any glycoside derived from alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine phenio.json an alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl derivative http://purl.obolibrary.org/obo/CHEBI_138024 3_STAR
CHEBI:138027 biolink:ChemicalSubstance N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosaminide Any glycoside derived from N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosamine. phenio.json an N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl derivative http://purl.obolibrary.org/obo/CHEBI_138027 3_STAR
CHEBI:138029 biolink:ChemicalSubstance 14alpha-methyl steroid Any steroid carrying a 14alpha-methyl substituent. MetaCyc:14-alpha-methylsteroids phenio.json a 14alpha-methyl steroid http://purl.obolibrary.org/obo/CHEBI_138029 3_STAR
CHEBI:138031 biolink:ChemicalSubstance Delta(14) steroid Any steroid that contains a double bond between positions 14 and 15. MetaCyc:Delta-14-steroids phenio.json a Delta(14) steroid http://purl.obolibrary.org/obo/CHEBI_138031 3_STAR
CHEBI:138053 biolink:ChemicalSubstance 5-methoxycarbonylmethoxyuridine(1-) residue A ribonucleotide residue(1-) obtained by deprotonation of the phosphate OH group of 5-(methoxycarbonylmethoxy)uridine 5'-phosphate residue. Major microspecies at pH 7.4. PMID:26681692 phenio.json 5-methoxycarbonylmethoxyuridine residue http://purl.obolibrary.org/obo/CHEBI_138053 3_STAR
CHEBI:138068 biolink:ChemicalSubstance ribonucleoside 5'-diphosphate-alpha-D-glucose(2-) A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of any ribonucleoside 5'-diphosphate-alpha-D-glucose. Major microspecies at pH 7.3 phenio.json a ribonucleoside 5'-diphosphate-alpha-D-glucose http://purl.obolibrary.org/obo/CHEBI_138068 3_STAR
CHEBI:138087 biolink:ChemicalSubstance O-acyl-ADP-D-ribose(2-) A nucleotide-sugar oxoanion obtained by deprotonation of the phosphate OH groups of any O-acyl-ADP-D-ribose; major species at pH 7.3. phenio.json 2''-O-acyl-ADP-D-ribose http://purl.obolibrary.org/obo/CHEBI_138087 3_STAR
CHEBI:138088 biolink:ChemicalSubstance long chain primary alcohol A primary alcohol with a chain length ranging from 13-22 carbons which is usually but not always a fatty alcohol. phenio.json http://purl.obolibrary.org/obo/CHEBI_138088 3_STAR
CHEBI:138102 biolink:ChemicalSubstance 4-(ADP-D-ribosyl)-L-aspartyl(2-) residue An organic anionic group obtained by deprotonation of the diphosphate OH groups of 4-(ADP-D-ribosyl)-L-aspartyl residue. Major microspecies at pH 7.3 phenio.json 4-O-(ADP-D-ribosyl)-L-aspartyl residue http://purl.obolibrary.org/obo/CHEBI_138102 3_STAR
CHEBI:138103 biolink:ChemicalSubstance inorganic acid A Bronsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water. Wikipedia:Mineral_acid phenio.json inorganic acids|mineral acid|mineral acids http://purl.obolibrary.org/obo/CHEBI_138103 3_STAR
CHEBI:138107 biolink:ChemicalSubstance (3S)-3-hydroxy-L-asparagine residue An L-alpha-amino acid residue derived from (3S)-3-hydroxy-L-asparagine. phenio.json (3S)-3-hydroxy-L-asparagine residue http://purl.obolibrary.org/obo/CHEBI_138107 3_STAR
CHEBI:138108 biolink:ChemicalSubstance 2-palmitoleoyl-sn-glycero-3-phospho-D-myo-inositol A 2-acyl-sn-glycero-3-phospho-D-myo-inositol that has palmitoleoyl as the acyl group. PMID:28667014 phenio.json (2R)-1-hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propan-2-yl (9Z)-hexadec-9-enoate|2-(9Z-hexadecenoyl)-glycero-3-phospho-(1'-myo-inositol)|2-(9Z-hexadecenoyl)-sn-glycero-3-phospho-D-myo-inositol http://purl.obolibrary.org/obo/CHEBI_138108 3_STAR
CHEBI:138130 biolink:ChemicalSubstance Delta(7)-sterol Any sterol that contains a double bond between positions 7 and 8. MetaCyc:Delta7-Steroids phenio.json a Delta(7)-sterol http://purl.obolibrary.org/obo/CHEBI_138130 3_STAR
CHEBI:138131 biolink:ChemicalSubstance Delta(5),Delta(7)-sterol Any sterol containing two double bonds between positions 5-6 and 7-8. MetaCyc:Delta5-Delta7-Steroids phenio.json a Delta(5),Delta(7)-sterol http://purl.obolibrary.org/obo/CHEBI_138131 3_STAR
CHEBI:138138 biolink:ChemicalSubstance epoxy(hydroxy)icosatrienoic acid A nonclassic icosanoid that consists of any icosatrienoic acid carrying epoxy and hydroxy substituents. phenio.json HEETA|epoxy(hydroxy)eicosatrienoic acid|epoxy(hydroxy)eicosatrienoic acids|epoxy(hydroxy)icosatrienoic acids http://purl.obolibrary.org/obo/CHEBI_138138 3_STAR
CHEBI:138140 biolink:ChemicalSubstance 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid anion An anionic phospholipid obtained by deprotonation of the phosphate OH group of any 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid; major species at pH 7.3. phenio.json a 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phospholipid http://purl.obolibrary.org/obo/CHEBI_138140 3_STAR
CHEBI:138141 biolink:ChemicalSubstance 17alpha-hydroxy-C21-steroid Any C21-steroid carrying a hydroxy substituent at the 17alpha-position. Note that individual examples may have ring substituents at other positions and/or contain double bonds, aromatic A-rings, expanded/contracted rings etc., so the formula and mass may vary from that given for the generic structure. MetaCyc:17a-hydroxy-C21-steroids phenio.json a 17alpha-hydroxy-C21-steroid http://purl.obolibrary.org/obo/CHEBI_138141 3_STAR
CHEBI:138142 biolink:ChemicalSubstance 21-hydroxy-C21-steroid Any C21-steroid carrying a hydroxy substituent at position 21. phenio.json a 21-hydroxy-C21-steroid http://purl.obolibrary.org/obo/CHEBI_138142 3_STAR
CHEBI:138147 biolink:ChemicalSubstance 3'-end deoxyribonucleotide 3'-phosphate(3-) residue An organic anionic group obtained by deprotonation of the phosphate OH groups of any 3'-end deoxyribonucleotide 3'-phosphate residue. phenio.json 3'-end deoxyribonucleotide 3'-phosphate residue http://purl.obolibrary.org/obo/CHEBI_138147 3_STAR
CHEBI:138148 biolink:ChemicalSubstance 3'-end deoxyribonucleotide(1-) residue An organic anionic group obtained by deprotonation of the phosphate OH group of any 3'-end deoxyribonucleotide residue. phenio.json 3'-end deoxyribonucleotide residue http://purl.obolibrary.org/obo/CHEBI_138148 3_STAR
CHEBI:138152 biolink:ChemicalSubstance serum amyloid A Wikipedia:Serum_amyloid_A phenio.json http://purl.obolibrary.org/obo/CHEBI_138152 3_STAR
CHEBI:138170 biolink:ChemicalSubstance sulfanegen A member of the class of dithianes that is 1,4-dithiane-2,5-dicarboxylic acid in which the hydrogens at positions 2 and 5 have been replaced by hydroxy groups. Sulfanegen is a prodrug for 3-mercaptopyruvic acid and is an experimental antidote for cyanide poisoning. CAS:80003-64-1|PMID:20705081|PMID:21740135|PMID:22392971|PMID:23301495|PMID:27308865|PMID:28412453|PMID:7054184|Patent:US2016354341|Patent:WO2011133893|Pubchem:24830990|Reaxys:21914042 phenio.json 2,5-dihydroxy-1,4-dithiane-2,5-dicarboxylic acid http://purl.obolibrary.org/obo/CHEBI_138170 3_STAR
CHEBI:138171 biolink:ChemicalSubstance pApA(3-) An organophosphate oxoanion obtained by deprotonation of the phospohate OH groups of pApA. Major microspecies at pH 7.3. phenio.json 5'-O-phosphonoadenylyl-(3'->5')-adenosine|5'-O-phosphonoadenylyl-(3'->5')-adenosine(3-) http://purl.obolibrary.org/obo/CHEBI_138171 3_STAR
CHEBI:138176 biolink:ChemicalSubstance (2R,3S,4S)-leucoanthocyanidin Any leucoanthocyanidin that has 2R,3S,4S-configuration. phenio.json (2R,3S,4S)-leucoanthocyanidins|a (2R,3S,4S)-leucoanthocyanidin http://purl.obolibrary.org/obo/CHEBI_138176 3_STAR
CHEBI:138177 biolink:ChemicalSubstance 4-unsubstituted 3-hydroxyanthocyanidin betaine Any 3-hydroxyanthocyanidin betaine that lacks a substituent at position 4. phenio.json a 4-H-anthocyanidin with a 3-hydroxy group http://purl.obolibrary.org/obo/CHEBI_138177 3_STAR
CHEBI:138179 biolink:ChemicalSubstance aspirin-triggered resolvin D1 A member of the class of resolvins that consists of docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid carrying three hydroxy substituents at positions 7, 8, and 17 (the 7S,8R,17S-stereoisomer). LIPID_MAPS_instance:LMFA04030005|PMID:17244615|PMID:21418187|PMID:22785226|PMID:22802419|PMID:23462912|PMID:23709617|PMID:24086560|PMID:24709673|PMID:25123641|PMID:25647402|PMID:26317859|PMID:26647716|PMID:26660549|PMID:26843331|PMID:26869523|PMID:26927755|PMID:27110599|PMID:27573422|PMID:27589850|PMID:27694530|PMID:28213094|PMID:28322829|PMID:28361884|PMID:28362840|PMID:28584076|PMID:28779028|Reaxys:24477830 phenio.json (4Z,7S,8R,9E,11E,13Z,15E,17R,19Z)-7,8,17-trihydroxydocosa-4,9,11,13,15,19-hexaenoic acid|(4Z,7S,8R,9E,11E,13Z,15E,17R,19Z)-7,8,17-trihydroxydocosahexaenoic acid|17(R)-RvD1|17(R)-resolvin D1|17-epi-resolvin D1|7S,8R,17R-trihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid|AT-Resolvin D1|AT-RvD1 http://purl.obolibrary.org/obo/CHEBI_138179 3_STAR
CHEBI:138188 biolink:ChemicalSubstance (2R,3R)-dihydroflavonol Any dihydroflavonol that has 2R,3R-configuration. KEGG:C21417|MetaCyc:2R-3R-Dihydroflavonols phenio.json (2R,3R)-dihydroflavonols|a (2R,3R)-dihydroflavonol http://purl.obolibrary.org/obo/CHEBI_138188 3_STAR
CHEBI:138191 biolink:ChemicalSubstance 3'-end 3'-(N-acyl-L-alpha-aminoacyl)adenylyl(1-) residue An organic anionic group obtained by deprotonation of the phosphate OH group of any 3'-end 3'-(N-acyl-L-alpha-aminoacyl)adenylyl residue; major species at pH 7.3. phenio.json 3'-(N-acyl-L-alpha-aminoacyl)adenylyl 3'-end residue http://purl.obolibrary.org/obo/CHEBI_138191 3_STAR
CHEBI:138202 biolink:ChemicalSubstance (13R)-S-glutathionyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid A docosanoid that is (14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid in which a glutathionyl group is attached at position 13R via a sulfide linkage. PMID:26881986|PMID:27791009|Reaxys:28337237 phenio.json L-gamma-glutamyl-S-[(3Z,6Z,9S,10R,11E,13E,15Z,18Z)-21-carboxy-9-hydroxyhenicosa-3,6,11,13,15,18-hexaen-10-yl]-L-cysteinylglycine|MCTR1 http://purl.obolibrary.org/obo/CHEBI_138202 3_STAR
CHEBI:138206 biolink:ChemicalSubstance (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid A docosanoid that is (14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid in which a cysteinylglycinyl group is attached at position 13R via a sulfide linkage. PMID:26881986|PMID:27791009|Reaxys:28337234 phenio.json MCTR2|S-[(3Z,6Z,9S,10R,11E,13E,15Z,18Z)-21-carboxy-9-hydroxyhenicosa-3,6,11,13,15,18-hexaen-10-yl]-L-cysteinylglycine http://purl.obolibrary.org/obo/CHEBI_138206 3_STAR
CHEBI:138208 biolink:ChemicalSubstance carotenoid biosynthesis inhibitor Any pathway inhibitor that acts on the carotenoid biosynthesis pathway. phenio.json carotenogenesis inhibitor|carotenogenesis inhibitors|carotenoid biosynthesis inhibitors|carotenoid-biosynthesis inhibitor|carotenoid-biosynthesis inhibitors http://purl.obolibrary.org/obo/CHEBI_138208 3_STAR
CHEBI:138209 biolink:ChemicalSubstance (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid A docosanoid that is (14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid in which a cysteinyl group is attached at position 13R via a sulfide linkage. PMID:26881986|PMID:27791009|Reaxys:28337235 phenio.json (4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-14-hydroxydocosa-4,7,9,11,16,19-hexaenoic acid|MCTR3 http://purl.obolibrary.org/obo/CHEBI_138209 3_STAR
CHEBI:138232 biolink:ChemicalSubstance peregrinol diphosphate(3-) An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of peregrinol diphosphate; major species at pH 7.3. MetaCyc:CPD-20436|PMID:24990389 phenio.json (13E)-9-hydroxy-8alpha-labda-13-en-15-yl diphosphate|(2E)-5-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl diphosphate|peregrinol diphosphate http://purl.obolibrary.org/obo/CHEBI_138232 3_STAR
CHEBI:138233 biolink:ChemicalSubstance 9,13(R)-epoxylabd-14-ene A tricyclic diterpenoid that is an intermediate in the biosynthesis of marrubiin by the medicinal plant Marrubium vulgare. MetaCyc:CPD-20437|PMID:24990389|PMID:29315936 phenio.json (13R)-9,13-epoxylabd-14-ene|(1R,2R,4aS,5'R,8aS)-5'-ethenyl-2,5,5,5',8a-pentamethyloctahydro-2H-spiro[naphthalene-1,2'-oxolane] http://purl.obolibrary.org/obo/CHEBI_138233 3_STAR
CHEBI:138234 biolink:ChemicalSubstance (13R)-manoyl oxide A tricyclic labdane diterpenoid that is an intermediate in the biosynthesis of forskolin by Coleus forskohlii. MetaCyc:CPD-12748|PMID:23613273|PMID:24481136|PMID:24990389|PMID:25239892|PMID:26133196|PMID:28290983|PMID:28806958 phenio.json (13R)-manoyl oxide|(3R,4aR,6aS,10aS,10bS)-3-ethenyl-3,4a,7,7,10a-pentamethyldodecahydro-1H-naphtho[2,1-b]pyran http://purl.obolibrary.org/obo/CHEBI_138234 3_STAR
CHEBI:138236 biolink:ChemicalSubstance oridonin An organic heteropentacyclic compound and ent-kaurane diterpenoid with formula C20H28O6 isolated from the leaves of the medicinal herb Rabdosia rubescens. CAS:28957-04-2|KNApSAcK:C00033270|PMID:27431862|PMID:27563888|PMID:28128329|PMID:28230866|PMID:28259901|PMID:28376864|PMID:28381502|PMID:28425866|PMID:28454475|PMID:28579904|PMID:28618955|PMID:28654903|PMID:28747574|PMID:28768083|PMID:28781688|Reaxys:1691227 phenio.json (1alpha,5beta,6beta,7alpha,8alpha,9beta,10alpha,13alpha,14R)-1,6,7,14-tetrahydroxy-7,20-epoxykaur-16-en-15-one|(1alpha,6beta,7alpha,14R)-7,20-epoxy-1,6,7,14-tetrahydroxykaur-16-en-15-one|isodonol|oridonine http://purl.obolibrary.org/obo/CHEBI_138236 3_STAR
CHEBI:138238 biolink:ChemicalSubstance pyrimidine ribonucleoside 5'-monophosphate(2-) A nucleoside 5'-monophosphate(2-) obtained by deprotonation of the phospohate OH groups of any pyrimidine ribonucleoside 5'-monophosphate; major species at pH 7.3. phenio.json a pyrimidine ribonucleoside 5'-phosphate http://purl.obolibrary.org/obo/CHEBI_138238 3_STAR
CHEBI:138248 biolink:ChemicalSubstance (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid A dihydroxydocosahexaenoic acid that is (4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 13R- and 14S-positions. PMID:25036362|PMID:28237084|Reaxys:27750204 phenio.json (13R,14S)-diHDHA|(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosa-4,7,9,11,16,19-hexaenoic acid|(4Z,7Z,9E,11E,13R,14S,16Z,19Z)-13,14-dihydroxydocosahexaenoic acid|MaR2|maresin 2 http://purl.obolibrary.org/obo/CHEBI_138248 3_STAR
CHEBI:138249 biolink:ChemicalSubstance (7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid A dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7R- and 14S-positions. PMID:19103881|PMID:23504711|PMID:23663457|PMID:25036362|PMID:25369934|PMID:25409514|PMID:25539814|PMID:25655838|PMID:25777995|PMID:26196843|PMID:26196844|PMID:26617436|PMID:26667839|PMID:26878867|PMID:26881046|PMID:26915798|PMID:27398158|PMID:27531933|PMID:27559094|PMID:27613620|PMID:27799313|PMID:28042205|PMID:28079976|PMID:28182085|PMID:28188173|PMID:28218740|PMID:28703289|PMID:28751936|PMID:28768719|Reaxys:21813987|Wikipedia:Maresin phenio.json (4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid|(4Z,7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosahexaenoic acid|MaR1|maresin 1 http://purl.obolibrary.org/obo/CHEBI_138249 3_STAR
CHEBI:138256 biolink:ChemicalSubstance N-(4-oxoglutaryl)-L-cysteinylglycine(2-) A peptide anion obtained by deprotonation of the carboxy groups of N-(4-oxoglutaryl)-L-cysteinylglycine; major species at pH 7.3. MetaCyc:CPD-19971|PMID:28373563 phenio.json 5-({(2R)-1-[(carboxylatomethyl)amino]-1-oxo-3-sulfanylpropan-2-yl}amino)-2,5-dioxopentanoate|N-(4-oxoglutaryl)-L-cysteinylglycine http://purl.obolibrary.org/obo/CHEBI_138256 3_STAR
CHEBI:138261 biolink:ChemicalSubstance very long-chain fatty acyl-CoA(4-) A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any very long-chain fatty acyl-CoA; major species at pH 7.3. phenio.json a very long-chain fatty acyl-CoA http://purl.obolibrary.org/obo/CHEBI_138261 3_STAR
CHEBI:138264 biolink:ChemicalSubstance D-sorbitol-(13)C6 phenio.json http://purl.obolibrary.org/obo/CHEBI_138264 2_STAR
CHEBI:138275 biolink:ChemicalSubstance oxidized Renilla luciferin(1-) An organic anion obtained by deprotonation of the amide group of oxidized Renilla luciferin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). PMID:17007903 phenio.json 3-benzyl-5-(4-hydroxyphenyl)-N-(phenylacetyl)pyrazin-2-aminide|excited coelenteramide h monoanion|oxidized Renilla luciferin monoanion http://purl.obolibrary.org/obo/CHEBI_138275 3_STAR
CHEBI:138276 biolink:ChemicalSubstance 5'-end purine ribonucleoside 5'-diphosphate(3-) residue An organic anionic group obtained by deprotonation of the diphosphate OH groups of any 5'-end purine ribonucleoside 5'-diphosphate residue; major species at pH 7.3. phenio.json a 5'-diphospho-(purine-ribonucleoside) residue http://purl.obolibrary.org/obo/CHEBI_138276 3_STAR
CHEBI:138282 biolink:ChemicalSubstance 5'-end ribonucleotide(2-) residue An organic anionic group obtained by deprotonation of the phosphate OH groups of any 5'-end ribonucleotide residue. Major microspecies at pH 7.3. phenio.json 5'-end ribonucleotide residue http://purl.obolibrary.org/obo/CHEBI_138282 3_STAR
CHEBI:138284 biolink:ChemicalSubstance 5'-end ribonucleoside residue A nucleoside residue derived from any ribonucleoside having the linkage point at position 3'. phenio.json 5'-end 5'-dephospho ribonucleotide residue http://purl.obolibrary.org/obo/CHEBI_138284 3_STAR
CHEBI:138306 biolink:ChemicalSubstance aromatic (S)-hydroxynitrile Any cyanohydrin that is derived from an aromatic aldehyde and has S-configuration. MetaCyc:Aromatic-S-hydroxynitriles phenio.json an aromatic (S)-hydroxynitrile|aromatic (S)-hydroxynitriles|aryl (S)-hydroxynitrile|aryl (S)-hydroxynitriles http://purl.obolibrary.org/obo/CHEBI_138306 3_STAR
CHEBI:138310 biolink:ChemicalSubstance (-)-kolavenyl diphosphate(3-) An organophosphate oxoanion obtained by deprotonation of diphosphate OH groups of (-)-kolavenyl diphosphate; major species at pH 7.3. MetaCyc:CPD-20259|PMID:27801964|PMID:28204567 phenio.json (-)-kolavenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_138310 3_STAR
CHEBI:138311 biolink:ChemicalSubstance (+)-kolavenyl diphosphate(3-) An organophosphate oxoanion obtained by deprotonation of diphosphate OH groups of (+)-kolavenyl diphosphate; major species at pH 7.3. MetaCyc:CPD-20430|PMID:25694050 phenio.json (+)-kolavenyl diphosphate|(2E)-3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl diphosphate http://purl.obolibrary.org/obo/CHEBI_138311 3_STAR
CHEBI:138319 biolink:ChemicalSubstance monoalk-1-enyl-sn-glycero-3-phosphoethanolamine A glycerophosphoethanolamine that is sn-glycero-3-phosphoethanolamine bearing a single alk-1-enyl substituent at an unspecified position. phenio.json monoalk-1-enyl-sn-glycero-3-phosphoethanolamines http://purl.obolibrary.org/obo/CHEBI_138319 3_STAR
CHEBI:138320 biolink:ChemicalSubstance monoalkyl-sn-glycero-3-phosphoethanolamine phenio.json http://purl.obolibrary.org/obo/CHEBI_138320 1_STAR
CHEBI:138329 biolink:ChemicalSubstance ent-Photinus luciferin(1-) A monocarboxylic acid anion that is the conjugate base of ent-Photinus luciferin, obtained by deprotonation of the carboxy group; major species at pH 7.3. MetaCyc:CPD-20206|PMID:14695520|PMID:28454735 phenio.json (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylate|(R)-4,5-dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxylate|L-Photinus luciferin(1-)|L-firefly luciferin(1-)|firefly L-luciferin http://purl.obolibrary.org/obo/CHEBI_138329 3_STAR
CHEBI:138360 biolink:ChemicalSubstance ditetradecanoyl phosphatidylglycerol(1-) A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) that is the conjugate base of dimyristoyl phosphatidylglycerol; major species at pH 7.3. phenio.json (2R)-2,3-bis(tetradecanoyloxy)propyl (2S)-2,3-dihydroxypropyl phosphate|1,2-ditetradecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)|DMPG( 1-)|GPGro(14:0/14:0)|dimyristoyl phosphatidylglycerol(1-) http://purl.obolibrary.org/obo/CHEBI_138360 3_STAR
CHEBI:138365 biolink:ChemicalSubstance allo-bile acid Any member of the class of bile acids having 5alpha-configuration. Usually found in lower vertebrates. phenio.json 5alpha-bile acid|5alpha-bile acids|allo-bile acids http://purl.obolibrary.org/obo/CHEBI_138365 3_STAR
CHEBI:138366 biolink:ChemicalSubstance bile acids Any member of a group of hydroxy steroids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration, while in lower vertebrates, some bile acids, known as allo-bile acids, have 5alpha-configuration. phenio.json http://purl.obolibrary.org/obo/CHEBI_138366 3_STAR
CHEBI:138370 biolink:ChemicalSubstance N(6)-(gamma-glutamyl)lysine residue An L-alpha-amino acid residue that is a representative structure of a protein with an N(6)-(gamma-glutamyl)lysine crosslink. phenio.json N(6)-(5-glutamyl)-lysine residues http://purl.obolibrary.org/obo/CHEBI_138370 3_STAR
CHEBI:138371 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide Any glycoside derived from beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine. phenio.json a beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc derivative http://purl.obolibrary.org/obo/CHEBI_138371 3_STAR
CHEBI:138372 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide Any glycoside derived from beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine. phenio.json a beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-N-acetyl-beta-D-glucosaminyl derivative|beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-OR http://purl.obolibrary.org/obo/CHEBI_138372 3_STAR
CHEBI:138387 biolink:ChemicalSubstance (18S)-hydroperoxyicosapentaenoic acid A hydroperoxyicosapentaenoic acid that is an icosapentaenoic acid in which the pro-S hydrogen at position 18 has been replaced by a hydroperoxy group. phenio.json (18S)-hydroperoxyeicosapentaenoic acid|(18S)-hydroperoxyeicosapentaenoic acids|(18S)-hydroperoxyicosapentaenoic acids|18-HpEPE http://purl.obolibrary.org/obo/CHEBI_138387 3_STAR
CHEBI:138392 biolink:ChemicalSubstance hydroperoxyicosapentaenoic acid A hydroperoxy polyunsaturated fatty acid that is any icosapentaenoic fatty acid carrying a single hydroperoxy substituent. phenio.json HpEPE|hydroperoxyicosapentaenoic acids http://purl.obolibrary.org/obo/CHEBI_138392 3_STAR
CHEBI:138397 biolink:ChemicalSubstance octahydronaphthalenes Any carbobycyclic compound that is an octahydronaphthalene or a compound obtained from an octahydronaphthalene by formal substitution of one or more hydrogens. phenio.json http://purl.obolibrary.org/obo/CHEBI_138397 3_STAR
CHEBI:138408 biolink:ChemicalSubstance isoprostane Any icosanoid with a prostaglandin-like structure formed in vivo by non-enzymatic free radical-catalysed reactions involving peroxidation of essential fatty acids (mainly arachidonic acid but also other fatty acids with 3 or more double bonds). Isoprostanes are abundant in tissues and fluids and have immunomodulating activity. Their concentration is dependent on the amount of oxidative stress and may be upregulated in certain diseases such as cancer, cardiovascular and neurological disorders. PMID:10385607|PMID:12088281|PMID:12751772|PMID:15037155|PMID:15037162|PMID:15650410|PMID:15780831|PMID:16382569|PMID:18030056|PMID:18285331|PMID:20951733|PMID:21848345|Wikipedia:Isoprostane phenio.json IsoPs|isoprostanes http://purl.obolibrary.org/obo/CHEBI_138408 3_STAR
CHEBI:138412 biolink:ChemicalSubstance N,N'-diphenylthiourea Thiourea in which each nitrogen carries a phenyl substituent. CAS:102-08-9|PMID:11011923|PMID:11722495|PMID:13914406|PMID:21073181|PMID:2138962|PMID:28295200|PMID:2957161|PMID:5871245|PMID:9145274|PMID:9197970|Reaxys:644277 phenio.json 1,3-Diphenyl-2-thiourea|1,3-Diphenylthiourea|DPTU|N,N'-diphenylthiourea|Sulfocarbanilide|Thiocarbanilide|diphenylthiourea|s-diphenylthiourea|sym-diphenylthiourea http://purl.obolibrary.org/obo/CHEBI_138412 3_STAR
CHEBI:138435 biolink:ChemicalSubstance bis(7)-tacrine A secondary amino compound consisting of two molecules of tacrine that are linked together through their exocyclic amino groups by a heptane-1,7-diyl chain. Bis(7)-tacrine is an acetylcholinesterase (AChE)inhibitor (IC50 0.40 nM, >1,000 times more potent than tacrine). It has also been found to protect against H2O2 -induced apoptosis in rat pheochromocytoma cells. Chemspider:7828118|PDBeChem:AA7|PMID:10208549|PMID:10452094|PMID:16543809|PMID:17449090|PMID:17530875|PMID:19393253|PMID:20043893|PMID:20199668|PMID:20486153|PMID:21535411|PMID:22330749|PMID:22553626|PMID:23832279|PMID:26043757|PMID:28294041|PMID:28571743|Reaxys:7608979 phenio.json B7T|N,N'-bis(1,2,3,4-tetrahydro-9-acridinyl)-1,7-heptanediamine|N,N'-di(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine|bis(7)-tetrahydroaminacrine|heptylene-bis(tacrine) http://purl.obolibrary.org/obo/CHEBI_138435 3_STAR
CHEBI:138437 biolink:ChemicalSubstance (S)-3-hydroxytetradecanoate A (3S)-3-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of (3S)-3-hydroxytetradecanoic acid. The major species at pH 7.3. PMID:18576672 phenio.json (3S)-3-hydroxymyristate|(3S)-3-hydroxytetradecanoate|(3S)-hydroxytetradecanoate|(S)-3-hydroxymyristate|(S)-beta-hydroxymyristate|L-beta-hydroxymyristate http://purl.obolibrary.org/obo/CHEBI_138437 3_STAR
CHEBI:138477 biolink:ChemicalSubstance resolvin E3 A member of the class of resolvins that is (5Z,8Z,11Z,13E,15E)-icosapentaenoic acid which is substituted at positions 17 and 18 by hydroxy groups (the 17,18S stereoisomer). PMID:22275352|PMID:23293324|PMID:24177907|PMID:28652532|PMID:29173199 phenio.json (5Z,8Z,11Z,13E,15E,18S)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid|RvE3 http://purl.obolibrary.org/obo/CHEBI_138477 3_STAR
CHEBI:138482 biolink:ChemicalSubstance N(2)-[(3R)-hydroxy-acyl]-L-ornithine zwitterion An amino acid zwitterion resulting from the transfer of a proton from the carboxy to the side-chain amino group of any N(2)-[(3R)-hydroxy-acyl]-L-ornithine; major species at pH 7.3. MetaCyc:LYSO-ORNITHINE-LIPIDS|PMID:15341653|PMID:22958119 phenio.json a lyso-ornithine lipid http://purl.obolibrary.org/obo/CHEBI_138482 3_STAR
CHEBI:138487 biolink:ChemicalSubstance paullone An indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6. CAS:142273-18-5|PMID:20559856|PMID:21513499|PMID:27737502|PMID:28197562|Reaxys:5342884 phenio.json 7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one|8,18-diazatetracyclo[9.7.0.0;{2,7}.0;{12,17}]octadeca-1(11),2,4,6,12(17),13,15-heptaen-9-one http://purl.obolibrary.org/obo/CHEBI_138487 3_STAR
CHEBI:138490 biolink:ChemicalSubstance 5(S)6-epoxy-18(S)-HEPE An epoxy fatty acid that is (7E,9E,11Z,14Z,16E)-icosa-7,9,11,14,16-pentaenoic acid carrying an epoxy group at position 5S and a hydroxy group at position 18S. It is an intermediate in resolvin E1 biosynthesis. LIPID_MAPS_instance:LMFA03070040|PMID:21206090 phenio.json 4-{(2S,3R)-3-[(1E,3E,5Z,8Z,10E,12S)-12-hydroxytetradeca-1,3,5,8,10-pentaen-1-yl]oxiran-2-yl}butanoic acid|5S,6-Ep-18S-HEPE|5S,6-epoxy,18S-hydroxy-7E,9E,11Z,14Z,16E-eicosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_138490 3_STAR
CHEBI:13850 biolink:ChemicalSubstance apoprotein An apoprotein is a protein devoid of its characteristic prosthetic group or metal. KEGG:C16240 phenio.json apoprotein|apoproteins http://purl.obolibrary.org/obo/CHEBI_13850 3_STAR
CHEBI:138518 biolink:ChemicalSubstance dialkyl phosphate(1-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any dialkyl phosphate; major species at pH 7.3. phenio.json a dialkyl phosphate http://purl.obolibrary.org/obo/CHEBI_138518 3_STAR
CHEBI:138542 biolink:ChemicalSubstance (18R)-resolvin E3 A member of the class of resolvins that is (5Z,8Z,11Z,13E,15E)-icosapentaenoic acid which is substituted at positions 17 and 18 by hydroxy groups (the 17,18R) stereoisomer). PMID:23293324 phenio.json (5Z,8Z,11Z,13E,15E,18R)-17,18-dihydroxyicosa-5,8,11,13,15-pentaenoic acid|18(R)-RvE3 http://purl.obolibrary.org/obo/CHEBI_138542 3_STAR
CHEBI:138560 biolink:ChemicalSubstance 5-amino-1-(5-phospho-beta-D-ribosyl)imidazole A 1-(phosphoribosyl)imidazole that is 5-aminoimidazole in which the proton at position 1 has been replaced by a 5-phospho-beta-D-ribofuranosyl group. CAS:25635-88-5|HMDB:HMDB0001235|KEGG:C03373|KNApSAcK:C00019655|MetaCyc:5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE|PDBeChem:AIR|PMID:21135073|PMID:21548610|PMID:24525042|PMID:25372694|PMID:26100042|PMID:26237670|PMID:26524231|PMID:27264098|Reaxys:40768|Wikipedia:5-Aminoimidazole_ribotide phenio.json 1-(5'-phosphoribosyl)-5-aminoimidazole|1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-5-amine|1-(5-phospho-D-Ribosyl)-5-aminoimidazole|5'-phosphoribosyl-5-aminoimidazole|5-Amino-1-beta-D-ribofuranosyl-5'-(dihydrogen phosphate)-imidazole|5-Amino-1-ribofuranosylimidazole 5'-phosphate|5-aminoimidazole ribonucleotide|AIR|Aminoimidazole ribonucleotide|Aminoimidazole ribotide|phosphoribosylaminoimidazole http://purl.obolibrary.org/obo/CHEBI_138560 3_STAR
CHEBI:138563 biolink:ChemicalSubstance 5S(6)-epoxy-18(R)-HEPE The 18(R) stereoisomer of the epoxy-HEPE intermediate in RvE1 biosynthesis phenio.json http://purl.obolibrary.org/obo/CHEBI_138563 2_STAR
CHEBI:138565 biolink:ChemicalSubstance (5Z,8Z,11Z,14Z,16E,18R)-18-hydroperoxyicosapentaenoic acid A hydroperoxyicosapentaenoic acid that is (5Z,8Z,11Z,14Z,16E)-icosapentaenoic acid in which the pro-R hydrogen at position 18 has been replaced by a hydroperoxy group. One of the two stereoisomers formed when acetylated COX2 oxidises the omega-3 fatty acid EPA. Reaxys:14535261 phenio.json (18R)-HpEPE|(5Z,8Z,11Z,14Z,16E,18R)-18-hydroperoxyicosa-5,8,11,14,16-pentaenoic acid|18(R)-HpEPE http://purl.obolibrary.org/obo/CHEBI_138565 3_STAR
CHEBI:138566 biolink:ChemicalSubstance phosphatidylinositol 38:5 phenio.json PI 38:5|PI(38:5)|phosphatidylinositol(38:5) http://purl.obolibrary.org/obo/CHEBI_138566 2_STAR
CHEBI:138567 biolink:ChemicalSubstance phosphatidylinositol 38:6 phenio.json PI 38:6|PI(38:6)|phosphatidylinositol(38:6) http://purl.obolibrary.org/obo/CHEBI_138567 2_STAR
CHEBI:138568 biolink:ChemicalSubstance phosphatidylinositol 40:6 phenio.json PI 40:6|PI(40:6)|phosphatidylinositol(40:6) http://purl.obolibrary.org/obo/CHEBI_138568 2_STAR
CHEBI:138574 biolink:ChemicalSubstance N-(docosanoyl)-hexadecasphing-4-enine-1-phosphocholine LIPID_MAPS_instance:LMSP03010061 phenio.json SM(d16:1/22:0) http://purl.obolibrary.org/obo/CHEBI_138574 2_STAR
CHEBI:138590 biolink:ChemicalSubstance (4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroperoxydocosahexaenoic acid A docosanoid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying a hydroperoxy substituent at position 17R. Reaxys:14339388 phenio.json (17R)-HpDHA|(4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoic acid|17(R)-Hp-DHA|17(R)-HpDHA http://purl.obolibrary.org/obo/CHEBI_138590 3_STAR
CHEBI:138601 biolink:ChemicalSubstance 4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid A hydroperoxy fatty acid that is (5E,7Z,10Z,13Z,15E,19Z)-docosa-5,7,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 4S-position and a hydroxy group at the 17R-position. PMID:22087354 phenio.json (4S,5E,7Z,10Z,13Z,15E,17R,19Z)-4-hydroperoxy-17-hydroxydocosa-5,7,10,13,15,19-hexaenoic acid|4(S)-Hp-17(R)-HDHA|4(S)-hydroperoxy-17(R)-HDHA|4S-hydroperoxy-17R-HDHA|4S-hydroperoxy-17R-hydroxy-DHA http://purl.obolibrary.org/obo/CHEBI_138601 3_STAR
CHEBI:138602 biolink:ChemicalSubstance 7(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid A hydroperoxy fatty acid that is (4Z,8E,10Z,13Z,15E,19Z)-docosa-4,8,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 7S-position and a hydroxy group at the 17R-position. It is an intermediate involved in the resolvin D1 biosynthesis pathway. PMID:17244615|PMID:22087354 phenio.json (4Z,7S,8E,10Z,13Z,15E,17R,19Z)-7-hydroperoxy-17-hydroxydocosa-4,8,10,13,15,19-hexaenoic acid|7(S)-Hp-17(R)-HDHA|7S-hydroperoxy-17R-HDHA|7S-hydroperoxy-17R-hydroxy-DHA|7S-hydroperoxy-17R-hydroxydocosahexaenoic acid http://purl.obolibrary.org/obo/CHEBI_138602 3_STAR
CHEBI:138606 biolink:ChemicalSubstance indolobenzazepine An organic heterotetracyclic compound that consists of an indole moiety ortho-fused to any benzazepine. phenio.json indolobenzazepines http://purl.obolibrary.org/obo/CHEBI_138606 3_STAR
CHEBI:138609 biolink:ChemicalSubstance short-chain (R)-3-hydroxy fatty acyl-CoA(4-) An (R)-3-hydroxyacyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups of any short-chain (3R)-hydroxy fatty acyl-CoA; major species at pH 7.3. phenio.json a short-chain (3R)-hydroxy fatty acyl-CoA http://purl.obolibrary.org/obo/CHEBI_138609 3_STAR
CHEBI:138612 biolink:ChemicalSubstance 4S(5)-epoxy-17R-hydroxydocosahexaenoic acid An epoxy fatty acid that is (6E,8E,10Z,13Z,15E,19Z)-docosa-6,8,10,13,15,19-hexaenoic acid which is carrying an epoxy group at position 4S and a hydroxy group at position 17R. It is a metabolite of docosahexaenoic acid that can be converted to a D-resolvin. LIPID_MAPS_instance:LMFA04000078|PMID:21766791 phenio.json 3-{(2S)-3-[(1E,3E,5Z,8Z,10E,12R,14Z)-12-hydroxyheptadeca-1,3,5,8,10,14-hexaen-1-yl]oxiran-2-yl}propanoic acid|4S(5)-epoxy-17(R)-HDHA|4S(5)-epoxy-17R-hydroxy-DHA http://purl.obolibrary.org/obo/CHEBI_138612 3_STAR
CHEBI:138613 biolink:ChemicalSubstance 7S,8S-epoxy-17R-hydroxydocosahexaenoic acid A hydroxydocosahexaenoic acid that is (4Z,9E,11E,13Z,15E,19Z)-docosa-4,9,11,13,15,19-hexaenoic acid carrying an epoxy group at position 7S and a hydroxy group at position 17R. It is a metabolite of docosahexaenoic acid, and serves as a precursor to D-resolvins. LIPID_MAPS_instance:LMFA04000073|PMID:17244615|PMID:21766791 phenio.json (4Z)-6-{(2S,3S)-3-[(1E,3E,5Z,7E,9R,11Z)-9-hydroxytetradeca-1,3,5,7,11-pentaen-1-yl]oxiran-2-yl}hex-4-enoic acid|(7S,8S)-epoxy-17(R)-HDHA|7S,8-epoxy-17R-HDHA|7S,8S-epoxy-17R-HDHA|7S,8S-epoxy-17R-hydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid|7S,8S-epoxy-17R-hydroxy-DHA|7S,8S-epoxy-17R-hydroxydocosahexaenoic acid http://purl.obolibrary.org/obo/CHEBI_138613 3_STAR
CHEBI:138614 biolink:ChemicalSubstance aspirin-triggered resolvin D2 A member of the class of resolvins that is (4Z,8E,10Z,12E,14E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17 (the 7S,16R,17R-stereoisomer). LIPID_MAPS_instance:LMFA04030006|MetaCyc:CPD66-61|PMID:21071715 phenio.json (4Z,7R,8E,10Z,12E,14E,16R,17R,19Z)-7,16,17-trihydroxydocosa-4,8,10,12,14,19-hexaenoic acid|(4Z,7R,8E,10Z,12E,14E,16R,17R,19Z)-7,16,17-trihydroxydocosahexaenoic acid|17-epi-RvD2|17-epi-resolvin D2|7S,16R,17R-trihydroxy-4Z,8E,10Z,12E,14E,19Z-docosahexaenoic acid|AT-RvD2|aspirin-triggered RvD2|aspirin-triggered resolvin D2 http://purl.obolibrary.org/obo/CHEBI_138614 3_STAR
CHEBI:138615 biolink:ChemicalSubstance aspirin-triggered resolvin D3 A member of the class of resolvins that is (5Z,7E,9E,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 11 and 17 (the 4S,11R,17R-stereoisomer) MetaCyc:CPD66-62|PMID:23438740|PMID:23438748|PMID:23510485|PMID:26462421|PMID:27121596|PMID:27171898|Reaxys:23608063 phenio.json (4S,5Z,7E,9E,11R,13Z,15E,17R,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid|(4S,5Z,7E,9E,11R,13Z,15E,17R,19Z)-4,11,17-trihydroxydocosahexaenoic acid|17-epi-RvD3|17-epi-resolvin D3|AT-RvD3|AT-resolvin D3|aspirin-triggered RvD3 http://purl.obolibrary.org/obo/CHEBI_138615 3_STAR
CHEBI:138616 biolink:ChemicalSubstance aspirin-triggered resolvin D4 A member of the class of resolvins that is (6E,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 5 and 17 (the 4S,5R,17R-stereoisomer). PMID:23293638|Reaxys:14535292 phenio.json (4S,5R,6E,8E,10Z,13Z,15E,17R,19Z)-4,5,17-trihydroxydocosa-6,8,10,13,15,19-hexaenoic acid|(4S,5R,6E,8E,10Z,13Z,15E,17R,19Z)-4,5,17-trihydroxydocosahexaenoic acid|17-epi-RvD4|17-epi-resolvin D4|AT-RvD4|AT-resolvin D4|aspirin-triggered RvD4 http://purl.obolibrary.org/obo/CHEBI_138616 3_STAR
CHEBI:138617 biolink:ChemicalSubstance aspirin-triggered resolvin D5 A member of the class of resolvins that is (5Z,8E,10Z,13Z,15Z,19Z)-docosahexaenoic acid carrying two hydroxy substituents at positions 7 and 17 (the 7S,17R-stereoisomer). phenio.json (5Z,7S,8E,10Z,13Z,15Z,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoic acid|(5Z,7S,8E,10Z,13Z,15Z,17R,19Z)-7,17-dihydroxydocosahexaenoic acid|17-epi-RvD2|17-epi-resolvin D5|AT-RvD5|aspirin-triggered RvD5 http://purl.obolibrary.org/obo/CHEBI_138617 3_STAR
CHEBI:138618 biolink:ChemicalSubstance aspirin-triggered resolvin D6 A member of the class of resolvins that is (5E,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroxy substituents at positions 4 and 17 (the 4S,17R-stereoisomer). Reaxys:14339391 phenio.json (4S,5E,7Z,10Z,13Z,15E,17R,19Z)-4,17-dihydroxydocosa-5,7,10,13,15,19-hexaenoic acid|(4S,5E,7Z,10Z,13Z,15E,17R,19Z)-4,17-dihydroxydocosahexaenoic acid|17-epi-RvD6|17-epi-resolvin D6|AT-RvD6|aspirin-triggered RvD6 http://purl.obolibrary.org/obo/CHEBI_138618 3_STAR
CHEBI:13862 biolink:ChemicalSubstance asparagusate Beilstein:4800403 phenio.json 1,2-dithiolane-4-carboxylate|asparagusate http://purl.obolibrary.org/obo/CHEBI_13862 3_STAR
CHEBI:138625 biolink:ChemicalSubstance (+)-jasmonic acid anion A jasmonate anion resulting from the removal of a proton from the carboxy group of (+)-jasmonic acid; major species at pH 7.3. PMID:11287667|Pubchem:7251180 phenio.json (1S,2S)-jasmonic acid anion|(3S,7S)-jasmonate|{(1S,2S)-3-oxo-2-[(2 Z)-pent-2-en-1-yl]cyclopentyl}acetate http://purl.obolibrary.org/obo/CHEBI_138625 3_STAR
CHEBI:138626 biolink:ChemicalSubstance N-[(3R)-12-hydroxyjasmonyl]-L-isoleucinate An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-(12-hydroxyjasmonyl)-L-isoleucine; major species at pH 7.3. PMID:21576464 phenio.json (2S,3S)-2-(2-{(1R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetamido)-3-methylpentanoate|(3R)-12-hydroxyjasmonoyl-L-isoleucinate(1-)|L-isoleucine-12-hydroxyjasmonate http://purl.obolibrary.org/obo/CHEBI_138626 3_STAR
CHEBI:138627 biolink:ChemicalSubstance N-[(3R)-jasmonyl]-L-isoleucinate An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-[(3R)-jasmonyl]-L-isoleucine; major species at pH 7.3. PMID:21576464 phenio.json (2S,3S)-3-methyl-2-(2-{(1R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetamido)pentanoate|(3R)-jasmonoyl-L-isoleucinate|a jasmonyl-L-isoleucinate http://purl.obolibrary.org/obo/CHEBI_138627 3_STAR
CHEBI:138640 biolink:ChemicalSubstance 17(S)-HDoHE A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosa-4,7,10,13,15,19-hexaenoic acid carrying a hydroxy substituent at the 17S-position. It is a metabolite of docosahexaenoic acid in human blood and mouse brain, and serves as a precursor to 17(S)-resolvins. CAS:92693-03-3|LIPID_MAPS_instance:LMFA04000012|MetaCyc:CPD-17450|PMID:12590139|PMID:19679107|PMID:21156816|PMID:22912397|PMID:28404641|PMID:29597117 phenio.json (17S)-hydroxydocosahexaenoic acid|(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid|17S-HDHA|17S-hydroxy DHA|17S-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid http://purl.obolibrary.org/obo/CHEBI_138640 3_STAR
CHEBI:138641 biolink:ChemicalSubstance 4(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid A hydroperoxy fatty acid that is (5E,7Z,10Z,13Z,15E,19Z)-docosa-5,7,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 4S-position and a hydroxy group at the 17S-position. LIPID_MAPS_instance:LMFA04000068|PMID:21766791 phenio.json (4S,5E,7Z,10Z,13Z,15E,17S,19Z)-4-hydroperoxy-17-hydroxydocosa-5,7,10,13,15,19-hexaenoic acid|4(S)-Hp-17(S)-HDHA|4(S)-hydroperoxy-17(S)-HDHA|4S-hydroperoxy-17S-HDHA|4S-hydroperoxy-17S-hydroxy-5E,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid|4S-hydroperoxy-17S-hydroxy-DHA http://purl.obolibrary.org/obo/CHEBI_138641 3_STAR
CHEBI:138642 biolink:ChemicalSubstance 7(S)-hydroperoxy-17(S)-hydroxydocosahexaenoic acid A polyunsaturated fatty acid that is docosahexaenoic acid carrying a hydroperoxy substituent at 7S-position and a hydroxy substituent at the 17S-position phenio.json 7(S)-Hp-17(S)-HDHA http://purl.obolibrary.org/obo/CHEBI_138642 2_STAR
CHEBI:138643 biolink:ChemicalSubstance resolvin D6 A member of the class of resolvins that is (5E,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroxy substituents at positions 4 and 17 (the 4S,17S-stereoisomer). LIPID_MAPS_instance:LMFA04030004|PMID:23991833|PMID:25139562|PMID:26019184|PMID:27121596|PMID:28765512|Patent:US2010159540|Reaxys:14535278 phenio.json (4S,5E,7Z,10Z,13Z,15E,17S,19Z)-4,17-dihydroxydocosa-5,7,10,13,15,19-hexaenoic acid|(4S,5E,7Z,10Z,13Z,15E,17S,19Z)-4,17-dihydroxydocosahexaenoic acid|4S,17S-dihydroxy-5E,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid|RvD6 http://purl.obolibrary.org/obo/CHEBI_138643 3_STAR
CHEBI:138645 biolink:ChemicalSubstance resolvin D5 A member of the class of resolvins that is (4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroxy substituents at positions 7 and 17 (the 7S,17S-stereoisomer). CAS:578008-43-2|Chemspider:45743318|FooDB:FDB023286|HMDB:HMDB0004038|LIPID_MAPS_instance:LMFA04030003|PMCID:PMC7257705|PMID:16303609|PMID:22538616|PMID:22841830|PMID:27320930|PMID:27632672|PMID:28098462|PMID:28694292|PMID:29358332|PMID:31333464|PMID:31693828|PMID:32404334|PMID:33047359 phenio.json (4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-4,8,10,13,15,19-hexaenoic acid|(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosahexaenoic acid|7(S),17(S)-diHDHA|7(S),17(S)-resolvin D5|7S,17S-diHDHA|7S,17S-dihydroxy-4Z,8E,10Z,13Z,15E,19Z-docosahexaenoic acid|RvD5|resolvin-D5 http://purl.obolibrary.org/obo/CHEBI_138645 3_STAR
CHEBI:138646 biolink:ChemicalSubstance 7S(8)-epoxy-17(S)-hydroxydocosahexaenoic acid A metabolite of docosahexaenoic acid that can be converted to 17(S)-RvD1 or 17(S)-RvD2 phenio.json 7S(8)-epoxy-17(S)-HDHA http://purl.obolibrary.org/obo/CHEBI_138646 2_STAR
CHEBI:138647 biolink:ChemicalSubstance 4S(5)-epoxy-17(S)-hydroxydocosahexaenoic acid A metabolite of docosahexaenoic acid that can be converted to 17(S)-RvD3 or 17(S)-RvD4 phenio.json 4S(5)-epoxy-17(S)-HDHA http://purl.obolibrary.org/obo/CHEBI_138647 2_STAR
CHEBI:138648 biolink:ChemicalSubstance resolvin D3 A member of the class of resolvins that is (5Z,7E,9E,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 11 and 17 (the 4S,11R,17S-stereoisomer). MetaCyc:CPD66-81|PMID:23438740|PMID:23438748|PMID:23510485|PMID:26462421|PMID:26858146|PMID:27121596|PMID:27171898|PMID:27534559|PMID:27859331|PMID:27994074|PMID:28765512|PMID:29238967|Reaxys:23608061 phenio.json (4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosa-5,7,9,13,15,19-hexaenoic acid|(4S,5Z,7E,9E,11R,13Z,15E,17S,19Z)-4,11,17-trihydroxydocosahexaenoic acid|RvD3 http://purl.obolibrary.org/obo/CHEBI_138648 3_STAR
CHEBI:138649 biolink:ChemicalSubstance resolvin D4 A member of the class of resolvins that is (6E,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying three hydroxy substituents at positions 4, 5 and 17 (the 4S,5R,17S-stereoisomer). PMID:15726828|PMID:16799203|PMID:21418190|PMID:26462421|PMID:26743932|PMID:27534559|PMID:27734186|PMID:28765512 phenio.json (4S,5R,6E,8E,10Z,13Z,15E,17S,19Z)-4,5,17-trihydroxydocosa-6,8,10,13,15,19-hexaenoic acid|(4S,5R,6E,8E,10Z,13Z,15E,17S,19Z)-4,5,17-trihydroxydocosahexaenoic acid|RvD4 http://purl.obolibrary.org/obo/CHEBI_138649 3_STAR
CHEBI:138651 biolink:ChemicalSubstance O-(S-fatty acylpantetheine-4'-phosphoryl)-L-serine(1-) residue An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue obtained by deprotonation of the phosphate OH group of any O-(S-fatty acylpantetheine-4'-phosphoryl)-L-serine residue. phenio.json O-(S-fatty acylpantetheine-4'-phosphoryl)-L-serine residue http://purl.obolibrary.org/obo/CHEBI_138651 3_STAR
CHEBI:138653 biolink:ChemicalSubstance (4Z,7Z,10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosahexaenoic acid A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13Z,15E,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10S,17S-stereoisomer). A natural isomer of protectin D1, one of the specialised proresolving mediators. PMID:24262603|Reaxys:19424117 phenio.json (4Z,7Z,10S,11E,13Z,15E,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid|10(S),17(S)-dihydroxydocosa-4Z,7Z,11E,13Z,15E,19Z-hexaenoic acid|PDX http://purl.obolibrary.org/obo/CHEBI_138653 3_STAR
CHEBI:138655 biolink:ChemicalSubstance protectin D1 A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10R,17S-stereoisomer). Protectin D1 is one of the specialised proresolving mediators. When produced in neural tissues, it is called neuroprotectin D1 HMDB:HMDB0003689|PMID:22690022|PMID:23686636|PMID:23799606|PMID:24107502|PMID:24262603|PMID:24520010|PMID:25139562|PMID:25617763|PMID:26047923|PMID:26427436|PMID:26580578|PMID:26955849|PMID:27632672|PMID:27866493|PMID:27988338|PMID:28109294|PMID:28429196|PMID:28430183|PMID:28615451|PMID:29177613|Reaxys:18351330|Wikipedia:Protectin_D1 phenio.json (4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid|(4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosahexaenoic acid|(N)PD1|(neuro)protectin D1|10(R),17(S)-dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid|NPD1|PD1|neuroprotectin D1 http://purl.obolibrary.org/obo/CHEBI_138655 3_STAR
CHEBI:138657 biolink:ChemicalSubstance 6-(alpha-D-glucose-1-phospho)-alpha-D-mannoside Any alpha-D-mannoside derived from 6-(alpha-D-glucose-1-phospho)-alpha-D-mannose. phenio.json http://purl.obolibrary.org/obo/CHEBI_138657 3_STAR
CHEBI:138658 biolink:ChemicalSubstance dilinoleoylglycerol A diglyceride that is glycerol in which any two of the hydroxy groups have undergone formal esterification by condensation with linoleic acid ((Z,Z)-octadeca-9,12-dienoic acid). Formula C39H68O5. For the structure shown, either R1 = H and R2 = linoleoyl or R1 = linoleoyl and R2 = H. phenio.json di-(9Z,12Z)-octadecadienoylglycerol http://purl.obolibrary.org/obo/CHEBI_138658 3_STAR
CHEBI:138664 biolink:ChemicalSubstance N-(omega-hydroxytriacontanoyl)sphingosine An N-acylsphingosine that has omega-hydroxytriacontanoyl as the acyl group. A bioactive sphingolipid found in the stratum corneum layer of mammalian epidermis. PMID:20035755|PMID:28248318 phenio.json N-(30-hydroxytriacontanoyl)-sphing-4-enine|N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]-30-hydroxytriacontanamide|N-omega-hydroxy C30:0 D-erythro-sphingosine|N-omega-hydroxytriacontanoyl D-erythro-sphingosine|N-omega-hydroxytriacontanoyl octadecasphin-4E-enine|N-omega-hydroxytriacontanoyl-D-erythro-sphingosine|N-omega-hydroxytriacontanoylsphingosine http://purl.obolibrary.org/obo/CHEBI_138664 3_STAR
CHEBI:138673 biolink:ChemicalSubstance (4Z,7Z,10Z,13Z,15E,17S)-17-hydroxydocosapentaenoic acid A hydroxydocosapentaenoic acid that is (4Z,7Z,10Z,13Z,15E)-docosapentaenoic acid in which the hydroxy group is located at the 17S-position. The 17S-oxygenated product of omega-6-DPA which possesses anti-inflammatory activity. PMID:22618200 phenio.json (17S)-HDPA(n-6)|(17S)-HDoPE(n-6)|(17S)-hydroxy-(4Z,7Z,10Z,13Z,15E)-docosapentaenoic acid|(4Z,7Z,10Z,13Z,15E,17S)-17-hydroxydocosa-4,7,10,13,15-pentaenoic acid|17(S)-HDPAn-6|17(S)-hydroxy-omega-6 docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_138673 3_STAR
CHEBI:138674 biolink:ChemicalSubstance 10(S),17(S)-dihydroxy-omega 6-docosapentaenoic acid The 10(S),17(S)-dihydroxy product of omega 6-DPA which has anti-inflammatory activity PMID:19324874|PMID:21766791|PMID:22618200|PMID:23471029 phenio.json 10(S),17(S)-diHDPAn-6|10S,17S-dihydroxy-omega 6-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_138674 2_STAR
CHEBI:138675 biolink:ChemicalSubstance gas molecular entity Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa). Wikipedia:https://en.wikipedia.org/wiki/Gas phenio.json gas molecular entities|gaseous molecular entities|gaseous molecular entity http://purl.obolibrary.org/obo/CHEBI_138675 3_STAR
CHEBI:138726 biolink:ChemicalSubstance 3'-unsubstituted flavone Any flavone lacking a substituent at position 3'. phenio.json 3'-unsubstituted flavones|a 3'-unsubstituted flavone http://purl.obolibrary.org/obo/CHEBI_138726 3_STAR
CHEBI:138730 biolink:ChemicalSubstance 3'-methoxyflavones Any methoxyflavone with a methoxy substituent at position 3'. MetaCyc:3-O-methylflavonoids phenio.json 3'-methoxyflavone|3'-methoxyflavones|a 3'-methoxyflavone http://purl.obolibrary.org/obo/CHEBI_138730 3_STAR
CHEBI:138731 biolink:ChemicalSubstance 5'-hydroxy-3'-methoxyflavone Any hydroxyflavone with a hydroxy substituent at position 5' and a methoxy substituent at position 3'. MetaCyc:5prime-hydroxy-3priime-methoxyflavonoids phenio.json 5'-hydroxy-3'-methoxyflavones|a 5'-hydroxy-3'-methoxyflavone http://purl.obolibrary.org/obo/CHEBI_138731 3_STAR
CHEBI:138732 biolink:ChemicalSubstance 3',5'-dimethoxyflavone A dimethoxyflavone in which the hydroxy groups at positions 3' and 5' have been replaced by methoxy groups. MetaCyc:35-di-O-methylflavonoids phenio.json 3',5'-dimethoxyflavones|a 3',5'-dimethoxyflavone http://purl.obolibrary.org/obo/CHEBI_138732 3_STAR
CHEBI:138733 biolink:ChemicalSubstance alpha-D-galactosyl ditrans,octacis-undecaprenyl diphosphate(2-) An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of alpha-D-galactosyl ditrans,octacis-undecaprenyl diphosphate; major species at pH 7.3. MetaCyc:CPD-191 phenio.json 1-O-{[({[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphinato)oxy]phosphinato}-alpha-D-galactopyranose|alpha-D-galactosyl-di-trans,octa-cis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_138733 3_STAR
CHEBI:138741 biolink:ChemicalSubstance very long-chain primary fatty alcohol Any primary fatty alcohol with a chain length between C23 and C27. phenio.json a very long-chain primary fatty alcohol|very long-chain primary fatty alcohol|very long-chain primary fatty alcohols http://purl.obolibrary.org/obo/CHEBI_138741 3_STAR
CHEBI:138742 biolink:ChemicalSubstance cholesteryl hemisuccinate A dicarboxylic acid monoester resulting from the formal condensation of the hydroxy group of cholesterol with one of the carboxy groups of succinic acid. A detergent that is often used to replace cholesterol in protein crystallography, biochemical studies of proteins, and pharmacology. CAS:1510-21-0|PDBeChem:Y01|PMID:18302031|PMID:24526383|PMID:25450348|PMID:9067481|PMID:9858729|Reaxys:3181155 phenio.json 3beta-hydroxy-5-cholestene 3-hemisuccinate|4-[(3beta)-cholest-5-en-3-yloxy]-4-oxobutanoic acid|4-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid|cholest-5-en-3beta-yl hydrogen succinate|cholesteryl succinate http://purl.obolibrary.org/obo/CHEBI_138742 3_STAR
CHEBI:138803 biolink:ChemicalSubstance archaeosine 5'-phosphate zwitterionic residue A zwitterionic group derived from archaeosine, a 7-formamidino-7-deazaguanine; major microspecies at pH 7.3 PMID:20129918|PMID:22032275 phenio.json 7-deaza-7-carbamidoylguanosine 5'-monophosphate zwitterion residue|7-formamidino-7-deazaguanosine residue (zwitterion)|archaeosine residue http://purl.obolibrary.org/obo/CHEBI_138803 3_STAR
CHEBI:138842 biolink:ChemicalSubstance 3alpha-hydroxy bile acid CoA thioester(4-) A steroidal acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of any 3alpha-hydroxy bile acid; major species at pH 7.3. phenio.json a 3alpha-hydroxy bile acid CoA http://purl.obolibrary.org/obo/CHEBI_138842 3_STAR
CHEBI:138843 biolink:ChemicalSubstance 3-oxo bile acid CoA thioester(4-) A steroidal acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of any 3-oxo bile acid; major species at pH 7.3. phenio.json a 3-oxo bile acid CoA http://purl.obolibrary.org/obo/CHEBI_138843 3_STAR
CHEBI:138856 biolink:ChemicalSubstance oxolinic acid A quinolinemonocarboxylic acid having the carboxy group at position 7 as well as oxo and ethyl groups at positions 4 and 1 respectively and a dioxolo ring fused at the 5- and 6-positions. A synthetic antibiotic, it is used in veterinary medicine for the treatment of bacterial infections in cattle, pigs and poultry. CAS:14698-29-4|Drug_Central:2024|Gmelin:2609419|KEGG:C11342|KEGG:D02301|LINCS:LSM-5811|PDBeChem:OXI|PMID:1245092|PMID:1650428|PMID:19596082|PMID:20151406|PMID:22670590|PMID:23353085|PMID:23773949|PMID:23816421|PMID:26678217|PMID:26920300|PMID:29438107|PMID:4616804|Patent:US3287458|Reaxys:620635|VSDB:1879|Wikipedia:Oxolinic_acid phenio.json 1-Ethyl-1,4-dihydro-6,7-methylenedioxy-4-oxo-3-quinolinecarboxylic acid|1-Ethyl-6,7-methylenedioxy-4-quinolone-3-carboxylic acid|5-Ethyl-5,8-dihydro-8-oxo-1,3-dioxolo(4,5-g)quinoline-7-carboxylic acid|5-ethyl-8-oxo-5,8-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid|OA|acide oxolinique|acido oxolinico|acidum oxolinicum|oxolinic acid http://purl.obolibrary.org/obo/CHEBI_138856 3_STAR
CHEBI:138880 biolink:ChemicalSubstance autophagy inducer Any compound that induces the process of autophagy (the self-digestion of one or more components of a cell through the action of enzymes originating within the same cell). phenio.json autophagocytosis inducer|autophagocytosis inducers|autophagy inducers http://purl.obolibrary.org/obo/CHEBI_138880 3_STAR
CHEBI:138881 biolink:ChemicalSubstance beta-D-fructofuranose 1-phosphate(2-) a D-fructofuranose 1-phosphate(2-) obtained by deprotonation of the phosphate OH groups of beta-D-fructofuranose 1-phosphate; major species at pH 7.3. MetaCyc:FRU1P phenio.json 1-O-phosphonato-beta-D-fructofuranose|beta-D-fructofuranose 1-phosphate|beta-D-fructose 1-phosphate http://purl.obolibrary.org/obo/CHEBI_138881 3_STAR
CHEBI:138890 biolink:ChemicalSubstance peregrinol diphosphate A diterpenyl phosphate that is the 15-O-diphospho derivative of peregrinol. MetaCyc:CPD-20436|PMID:24990389 phenio.json (2E)-5-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]-3-methylpent-2-en-1-yl trihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_138890 3_STAR
CHEBI:138897 biolink:ChemicalSubstance 3',5'-unsubstituted flavanone A flavanone lacking any substituents at positions 3' and 5' phenio.json a 3',5'-unsubstituted flavanone http://purl.obolibrary.org/obo/CHEBI_138897 3_STAR
CHEBI:138905 biolink:ChemicalSubstance phosphatidic acid 36:4 phenio.json PA(36:4) http://purl.obolibrary.org/obo/CHEBI_138905 2_STAR
CHEBI:138931 biolink:ChemicalSubstance glutamine antagonist An antagonist that acts on glutamine receptors. PMID:4400179 phenio.json glutamine antagonists http://purl.obolibrary.org/obo/CHEBI_138931 3_STAR
CHEBI:138934 biolink:ChemicalSubstance N-(4-oxoglutaryl)-L-cysteinylglycine A dipeptide that is glutathione in which the amino group on the glutamyl residue has been replaced by an oxo group. MetaCyc:CPD-19971|PMID:28373563|Reaxys:31104039 phenio.json N-(4-carboxy-4-oxobutanoyl)-L-cysteinylglycine|deaminated glutathione|gamma-(4-oxoglutaryl)-L-cysteinylglycine http://purl.obolibrary.org/obo/CHEBI_138934 3_STAR
CHEBI:138935 biolink:ChemicalSubstance S-nitroso-L-cysteine An L-cysteine derivative in which the sulfur atom carries a nitroso substituent. A cell-permeable low-molecular-weight nitrosothiol and nitric oxide donor. CAS:51209-75-7|PDBeChem:SNC|PMID:22304688|PMID:26444682|PMID:26686469|PMID:27064847|PMID:27126574|PMID:28081246|PMID:28381519|PMID:28440386|PMID:28600633|PMID:28764371|Reaxys:3538115 phenio.json CysNO|L-CysSNO|NO-L-cysteine|NO-cysteine|Nitrosocysteine|S-Nitrosocysteine|S-nitroso-L-cysteine http://purl.obolibrary.org/obo/CHEBI_138935 3_STAR
CHEBI:138936 biolink:ChemicalSubstance N(6)-hexadecanoyl-L-lysine residue An N(6)-acyl-L-lysine residue derived from N(6)-hexadecanoyl-L-lysine. phenio.json N(6)-hexadecanoyl-L-lysine residue|N(6)-palmitoyl-L-lysine residue|N(epsilon)-hexadecanoyl-L-lysine residue|N(epsilon)-palmitoyl-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_138936 3_STAR
CHEBI:138943 biolink:ChemicalSubstance carnosate A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of carnosic acid. The major species at pH 7.3. MetaCyc:CPD-18103|PMID:26976595|PMID:27703160 phenio.json 11,12-dihydroxy-13-isopropylpodocarpa-8,11,13-trien-17-oate|11,12-dihydroxyabieta-8,11,13-trien-20-oate|carnosate http://purl.obolibrary.org/obo/CHEBI_138943 3_STAR
CHEBI:138977 biolink:ChemicalSubstance quorum sensing inhibitor Any compound that interferes with bacterial communication (quorum sensing, QS). PMID:16549654|PMID:22286987|PMID:24126008|PMID:25189863|PMID:25430794|PMID:27977197|PMID:28094526|PMID:28241461|PMID:28350449|PMID:28421612|PMID:28554093|PMID:28789564|PMID:28826080|PMID:28851971|PMID:29026943|PMID:29085409 phenio.json QS inhibitor|QS inhibitors|QSI|QSIs|quorum sensing inhibitors http://purl.obolibrary.org/obo/CHEBI_138977 3_STAR
CHEBI:138979 biolink:ChemicalSubstance hemisuccinate A succinate ester in which only one of the carboxy groups of succinic acid has been esterified. phenio.json hemisuccinates http://purl.obolibrary.org/obo/CHEBI_138979 3_STAR
CHEBI:139020 biolink:ChemicalSubstance taurino group An organyl group that is the functional group of taurine attaching at the nitrogen phenio.json 2-sulfoethylamino|taurino http://purl.obolibrary.org/obo/CHEBI_139020 3_STAR
CHEBI:139030 biolink:ChemicalSubstance hydroxysafflor yellow A A C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius). CAS:78281-02-4|FooDB:FDB020474|HMDB:HMDB0040677|PMID:25626885|PMID:26607471|PMID:26754542|PMID:26777519|PMID:27063983|PMID:27086971|PMID:27176815|PMID:27457091|PMID:27599591|PMID:27713966|PMID:27731393|PMID:27894114|PMID:27909717|PMID:28068632|PMID:28074914|PMID:28097465|PMID:28122306|PMID:28154251|PMID:28191279|PMID:28264629|PMID:28468657|PMID:28553231|PMID:28840700|PMID:28932195|PMID:28966242|PMID:29076598|PMID:29107614|PMID:29107696|Reaxys:8669627 phenio.json 2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-2-propen-1-yl)]-2,5-cyclohexadien-1-one|2,4-di-beta-D-glucopyranosyl-3,4,5-trihydroxy-6-[(2E)-3-(4-hydroxyphenyl-1-oxo-prop-2-en-1-yl)]cyclohexa-2,5-dien-1-one|HSYA|safflomin A http://purl.obolibrary.org/obo/CHEBI_139030 3_STAR
CHEBI:139033 biolink:ChemicalSubstance (-)-kolavenyl diphosphate A diterpenyl phosphate that is the O-diphospho derivative of (-)-kolavenol MetaCyc:CPD-20259|PMID:26603275|PMID:27801964|PMID:28204567 phenio.json (-)-kolavenyl pyrophosphate|(2E)-3-methyl-5-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_139033 3_STAR
CHEBI:139034 biolink:ChemicalSubstance (+)-kolavenyl diphosphate A diterpenyl phosphate that is the O-diphospho derivative of (+)-kolavenol MetaCyc:CPD-20430 phenio.json (+)-kolavenyl pyrophosphate|(2E)-3-methyl-5-[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_139034 3_STAR
CHEBI:139036 biolink:ChemicalSubstance ent-Photinus luciferin A 1,3-thiazolemonocarboxylic acid consisting of 3,5-dihydrothiophene-4-carboxylic acid having a 6-hydroxybenzothiazol-2-yl group at the 2-position. MetaCyc:CPD-20206|PMID:24391868|Patent:WO2006070775|Reaxys:4196732 phenio.json (4R)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid|L-Photinus luciferin|L-firefly luciferin|ent-firefly luciferin http://purl.obolibrary.org/obo/CHEBI_139036 3_STAR
CHEBI:139048 biolink:ChemicalSubstance dihydroceramide An N-acylsphingoid obtained by formal condensation of the carboxy group of any fatty acid with the amino group of any dihydrosphingoid base. phenio.json N-acyldihydrosphingoid|N-acyldihydrosphingoids|a dihydroceramide|dihydroceramides http://purl.obolibrary.org/obo/CHEBI_139048 3_STAR
CHEBI:139051 biolink:ChemicalSubstance phytoceramide A class of phytoceramides obtained by formal condensation of the carboxy group of any fatty acid with the amino group of any phytosphingoid base. phenio.json N-acylphytosphingosine|N-acylphytosphingosines|a phytoceramide|phytoceramides http://purl.obolibrary.org/obo/CHEBI_139051 3_STAR
CHEBI:139053 biolink:ChemicalSubstance inositol-1-phosphophytoceramide(1-) An inositol phosphoceramide(1-) obtained by deprotonation of the free phosphate OH group of any inositol-1-phosphophytoceramide; major species at pH 7.3. phenio.json N-acylphytosphingosine-1-phospho-(1D-myo-inositol)(1-)|an inositol-1-phosphophytoceramide|inositol-1-phospho-N-acyl-4R-hydroxysphingoid(1-)|inositol-1-phospho-N-acylphytosphingoid(1-) http://purl.obolibrary.org/obo/CHEBI_139053 3_STAR
CHEBI:139066 biolink:ChemicalSubstance mannosylinositol-1-phosphophytoceramide(1-) An mannosylinositol phosphophytoceramide(1-) obtained by deprotonation of the free phosphate OH group of any mannosylinositol-1-phosphophytoceramide; major species at pH 7.3. phenio.json Man-1-6-Ins-1-P-PHCer(1-)|a mannosylinositol-1-phosphophytoceramide|mannosylinositol-1-phospho-N-acyl-4R-hydroxysphingoid(1-)|mannosylinositol-1-phospho-N-acylphytosphingoid(1-) http://purl.obolibrary.org/obo/CHEBI_139066 3_STAR
CHEBI:139069 biolink:ChemicalSubstance 4-hydroxytryptamine(1+) An organic cation resulting from the protonation of the primary amino group of 4-hydroxytryptamine. The major species at pH 7.3. MetaCyc:CPD-20575|PMID:28763571|Reaxys:25990087 phenio.json 2-(4-hydroxy-1H-indol-3-yl)ethanaminium|4-hydroxytryptamine http://purl.obolibrary.org/obo/CHEBI_139069 3_STAR
CHEBI:139070 biolink:ChemicalSubstance norbaeocystin(1-) An organophosphate oxoanion obtained by deprotonation of the phosphate and protonation of the amino group of norbaeocystin; major species at pH 7.3. MetaCyc:CPD-20577|PMID:28763571 phenio.json 3-(2-azaniumylethyl)-1H-indol-4-yl phosphate|4-hydoxytryptamine phosphate(1-)|norbaeocystin http://purl.obolibrary.org/obo/CHEBI_139070 3_STAR
CHEBI:139072 biolink:ChemicalSubstance psilocybin(1-) An organophosphate oxoanion resulting from the protons from the phosphate group and the protonation of the tertiary amino group of psilocybin. The major species at pH 7.3 MetaCyc:CPD-20576 phenio.json 3-[2-(dimethylazaniumyl)ethyl]-1H-indol-4-yl phosphate|psilocybin http://purl.obolibrary.org/obo/CHEBI_139072 3_STAR
CHEBI:139089 biolink:ChemicalSubstance N(6)-methyl-2'-deoxyadenosine 5'-monophosphate residue A purine deoxyribonucleotide residue derived from N(6)-methyl-2'-deoxyadenosine 5'-monophosphate phenio.json N(6)-methyl-dAMP residue http://purl.obolibrary.org/obo/CHEBI_139089 3_STAR
CHEBI:139094 biolink:ChemicalSubstance 2'-deoxyribose 5'-monophosphate residue A deoxyribonucleotide residue that has lost its base either spontaneously or through the action of glycosylases. PMID:22048164 phenio.json AP site|abasic site in DNA|apurinic/apyrimidinic site http://purl.obolibrary.org/obo/CHEBI_139094 2_STAR
CHEBI:139095 biolink:ChemicalSubstance 2'-deoxyribose 5'-monophosphate(1-) residue An organic anionic group that is the conjugate base of 2'-deoxyribose 5'-monophosphate residue obtained by deprotonation of the phosphate OH group; major species at pH 7.3. phenio.json a 2'-deoxyribose 5'-monophosphate residue http://purl.obolibrary.org/obo/CHEBI_139095 3_STAR
CHEBI:139098 biolink:ChemicalSubstance alpha-D-galactosyl-(1->4)-beta-D-galactosyl group A beta-D-galactosyl disaccharide group formed by removing the hydroxy group from the hemiacetal function of alpha-D-galactosyl-(1->4)-beta-D-galactose. Implied reactive epitope within lactosylceramide. PMID:29069089|PMID:7534889 phenio.json Galalpha(1,4)Galbeta-|Galalpha1,4Galbeta-yl|alpha-D-Gal-(1->4)-beta-D-Gal-yl|alpha-D-Galp-(1->4)-beta-D-Galp-yl|alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl|alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl group http://purl.obolibrary.org/obo/CHEBI_139098 3_STAR
CHEBI:1391 biolink:ChemicalSubstance 3,4-methylenedioxymethamphetamine A member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a 2-(methylamino)propyl group at position 5. CAS:42542-10-9|DrugBank:DB01454|HMDB:HMDB0041931|KEGG:C07577|PMID:15062945|PMID:18570171|Reaxys:158675|Wikipedia:MDMA phenio.json (RS)-3,4-(methylenedioxy)methamphetamine|1-(1,3-Benzodioxol-5-yl)-N-methyl-2-propanamine|1-(1,3-benzodioxol-5-yl)-N-methylpropan-2-amine|3,4-Methylenedioxymethamphetamine|DL-(3,4-Methylenedioxy)methamphetamine|MDMA|N,alpha-dimethyl-1,3-benzodioxole-5-ethanamine|N-Methyl-3,4-methylenedioxyamphetamine|ecstasy http://purl.obolibrary.org/obo/CHEBI_1391 3_STAR
CHEBI:139114 biolink:ChemicalSubstance carotenoid psi-end derivative Any carotenoid derivative with a psi-end group. MetaCyc:Carotenoid-psi-end-group phenio.json a carotenoid psi-end group http://purl.obolibrary.org/obo/CHEBI_139114 2_STAR
CHEBI:139115 biolink:ChemicalSubstance carotenoid epsilon-end derivative Any carotenoid derivative with an epsilon-end group. MetaCyc:Carotenoid-epsilon-end-group phenio.json a carotenoid epsilon-end group http://purl.obolibrary.org/obo/CHEBI_139115 2_STAR
CHEBI:139120 biolink:ChemicalSubstance carotenoid beta-end derivative Any carotenoid derivative with an beta-end group MetaCyc:Carotenoid-beta-end-group phenio.json a carotenoid beta-end derivative http://purl.obolibrary.org/obo/CHEBI_139120 2_STAR
CHEBI:139145 biolink:ChemicalSubstance 4-O-({poly[2-N-acetyl-alpha-D-glucosaminyl-1-D-ribitylphosphonato]}-di{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion A polyanionic polymer obtained by deprotonation of the phosphate and diphosphate groups of 4-O-({poly[2-N-acetyl-alpha-D-glucosaminyl-1-D-ribitylphosphonato]}-di{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate; major species at pH 7.3. PMID:20185825|PMID:25624472|PMID:25697358 phenio.json 4-O-([2-N-acetyl-alpha-D-glucosaminyl-1-D-ribitylphospho]n-di{[2R]-1-glycerylphospho})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl di-trans,octa-cis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_139145 3_STAR
CHEBI:139149 biolink:ChemicalSubstance 4-O-[poly(2-beta-D-glucosyl-1-D-ribitylphosphonato)-1-D-ribitylphosphonato-(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion A polyanionic polymer obtained by deprotonation of the phosphate and diphosphate groups of 4-O-[poly(2-beta-D-glucosyl-1-D-ribitylphosphonato)-1-D-ribitylphosphonato-(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate; major species at pH 7.3. PMID:23027967 phenio.json 4-O-[(2-beta-D-glucosyl-1-D-ribitylphospho)n-1-D-ribitylphospho-(2R)-1-glycerylphospho]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate polyanion http://purl.obolibrary.org/obo/CHEBI_139149 3_STAR
CHEBI:139150 biolink:ChemicalSubstance (S,S)-bis-(3-oleoylglycero)-1-phosphate(1-) A 3,3'-lysobisphosphatidate obtained by deprotonation of the phosphate OH group of (S,S)-bis-(3-oleoylglycero)-1-phosphate; major species at pH 7.3. PMID:21788486 phenio.json (S,S) 18:1(9Z) BMP(1-)|(S,S)-bis-(3-oleoyl-sn-glycero)-1-phosphate(1-)|(S,S)-bis-[3-(9Z-octadecenoyl)-2-lyso-sn-glycero]-1-phosphate(1-)|(S,S)-bis-[3-(9Z-octadecenoyl)]-1-phosphate(1-)|3-(9Z-octadecenoyl)-sn-glycero-1-phospho-(3'-(9Z-octadecenoyl)-1'-sn-glycerol)|bis[(2S)-2-hydroxy-3-{[(9Z)-octadec-9-enoyl]oxy}propyl] phosphate http://purl.obolibrary.org/obo/CHEBI_139150 3_STAR
CHEBI:139151 biolink:ChemicalSubstance ADP-5-ethyl-4-methylthiazole-2-carboxylate(3-) A organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate groups of ADP-5-ethyl-4-methylthiazole-2-carboxylic acid; major species at pH 7.3. MetaCyc:CPDQT-400|PMID:22031445|PMID:26919468 phenio.json ADP-5-ethyl-4-methylthiazole-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_139151 3_STAR
CHEBI:139166 biolink:ChemicalSubstance secoiridoid An iridoid monoterpenoid in which a bond in the cyclopentane ring has been cleaved. phenio.json secoiridoids http://purl.obolibrary.org/obo/CHEBI_139166 3_STAR
CHEBI:139173 biolink:ChemicalSubstance heparin oligosaccharide Any oligosaccharide derivative resulting from either chemical or enzymatic cleavage of the polymeric glycosaminoglycan heparin. phenio.json heparin oligosaccharides http://purl.obolibrary.org/obo/CHEBI_139173 3_STAR
CHEBI:139189 biolink:ChemicalSubstance 2-hydroxy fatty acid anion 16:0 A hydroxy fatty acid anion 16:0 in which the hydroxy substituent is located at position 2. phenio.json 2-hydroxy fatty acid 16:0 http://purl.obolibrary.org/obo/CHEBI_139189 3_STAR
CHEBI:139190 biolink:ChemicalSubstance hydroxy fatty acid anion 16:0 Any hydroxy saturated fatty acid anion containing 16 carbons. phenio.json http://purl.obolibrary.org/obo/CHEBI_139190 3_STAR
CHEBI:139191 biolink:ChemicalSubstance 2-hydroxy fatty acid anion 18:0 A hydroxy fatty acid anion 18:0 in which the hydroxy substituent is located at position 2. phenio.json 2-hydroxy fatty acid 18:0 http://purl.obolibrary.org/obo/CHEBI_139191 3_STAR
CHEBI:139192 biolink:ChemicalSubstance hydroxy fatty acid anion 18:0 Any hydroxy saturated fatty acid anion containing 18 carbons. phenio.json http://purl.obolibrary.org/obo/CHEBI_139192 3_STAR
CHEBI:139212 biolink:ChemicalSubstance heparin pentasaccharide Any amino pentasaccharide obtained by either chemical or enzymatic cleavage of the polymeric glycosaminoglycan heparin. phenio.json heparin pentasaccharides http://purl.obolibrary.org/obo/CHEBI_139212 3_STAR
CHEBI:139217 biolink:ChemicalSubstance 4-hydroxytryptamine A member of the class of tryptamines that is tryptamine in which the the indole ring has been substituted by a hydroxy group at position 4. CAS:570-14-9|MetaCyc:CPD-20575|PMID:13697285|PMID:1850475|PMID:2812041|PMID:600026|Reaxys:151446 phenio.json 3-(2-aminoethyl)-1H-indol-4-ol|3-(2-aminoethyl)-indol-4-ol http://purl.obolibrary.org/obo/CHEBI_139217 3_STAR
CHEBI:139218 biolink:ChemicalSubstance secondary nitroalkane A nitroalkane in which the nitro group, -NO2, is attached to a saturated carbon atom which has two other carbon atoms attached to it. Major microspecies at pH 7.3. PMID:15609931|PMID:1719412|PMID:22543734|PMID:7762004|PMID:9437534 phenio.json a secondary nitroalkane http://purl.obolibrary.org/obo/CHEBI_139218 3_STAR
CHEBI:139231 biolink:ChemicalSubstance 5-methyldeoxycytidine 5'-monophosphate residue A deoxyribonucleotide residue derived from 5-methyldeoxycytidine 5'-monophosphate. phenio.json 5-methyl-dCMP residue http://purl.obolibrary.org/obo/CHEBI_139231 3_STAR
CHEBI:139252 biolink:ChemicalSubstance [8)-alpha-Neu5Ac-(2->]n polyanion A polyanionic polymer obtained by deprotonation of the carboxy groups of [8)-alpha-Neu5Ac-(2->]n; major species at pH 7.3. MetaCyc:CPD-10464|PMID:15809431|PMID:17519228|PMID:21390252|PMID:6987220 phenio.json [N-acetyl-alpha-D-neuraminosyl-(2->8)]n http://purl.obolibrary.org/obo/CHEBI_139252 3_STAR
CHEBI:139253 biolink:ChemicalSubstance 9-cis-4-hydroxyretinoate A retinoid anion that is the conjugate base of 9-cis-4-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:14532297 phenio.json (2E,4E,6Z,8E)-9-(3-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate|(9cis)-4-hydroxyretinoate|4-hydroxy-9-cis-retinoate|9-cis-4-hydroxyretinoate http://purl.obolibrary.org/obo/CHEBI_139253 3_STAR
CHEBI:139258 biolink:ChemicalSubstance all-trans-18-hydroxyretinoate A retinoid anion that is the conjugate base of all-trans-18-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:22020119 phenio.json (2E,4E,6E,8E)-9-[2-(hydroxymethyl)-6,6-dimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoate|18-hydroxy-all-trans-retinoate|18-hydroxyretinoate|all-trans-18-hydroxyretinoate http://purl.obolibrary.org/obo/CHEBI_139258 3_STAR
CHEBI:139285 biolink:ChemicalSubstance [(2->8)-N,O(7)-diacetyl-alpha-D-neuraminosyl]n polyanion A polyanionic polymer obtained by deprotonation of the carboxy groups of [(2->8)-N,O(7)-diacetyl-alpha-D-neuraminosyl]n; major species at pH 7.3. PMID:17519228|PMID:6987220 phenio.json [(2->8)-O(7),N-diacetyl-alpha-D-neuraminosyl]n http://purl.obolibrary.org/obo/CHEBI_139285 3_STAR
CHEBI:139291 biolink:ChemicalSubstance chlorophyll(1-) A cyclic tetrapyrrole anion that is the carbanion obtained by removal of the acidic proton from position 21 of any chlorophyll. Major species at pH 7.3 Wikipedia:Chlorophyll phenio.json a chlorophyll http://purl.obolibrary.org/obo/CHEBI_139291 3_STAR
CHEBI:139292 biolink:ChemicalSubstance chlorophyllide(2-) A cyclic tetrapyrrole anion obtained by removal of the acidic proton from position 21 as well as deprotonation of the carboxy group of any chlorophyllide. Major species at pH 7.3 phenio.json a chlorophyllide http://purl.obolibrary.org/obo/CHEBI_139292 3_STAR
CHEBI:139300 biolink:ChemicalSubstance (+)-jasmonic acid An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring. Reaxys:2415413 phenio.json (1S,2S)-jasmonic acid|{(1S,2S)-3-oxo-2-[(2 Z)-pent-2-en-1-yl]cyclopentyl}acetic acid http://purl.obolibrary.org/obo/CHEBI_139300 3_STAR
CHEBI:139301 biolink:ChemicalSubstance N-[(3R)-12-hydroxyjasmonyl]-L-isoleucine An L-isoleucine derivative resulting from the formal condensation of the carboxy group of (3R)-12-hydroxyjasmonic acid with the amino group of L-isoleucine. Reaxys:26688570 phenio.json N-({(1R)-2-[(2Z)-5-hydroxypent-2-en-1-yl]-3-oxocyclopentyl}acetyl)-L-isoleucine http://purl.obolibrary.org/obo/CHEBI_139301 3_STAR
CHEBI:139302 biolink:ChemicalSubstance N-[(3R)-jasmonyl]-L-isoleucine An L-isoleucine derivative resulting from the formal condensation of the carboxy group of (3R)-jasmonic acid with the amino group of L-isoleucine. Reaxys:18883676 phenio.json (3R)-jasmonoyl-L-isoleucine|N-({(1R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetyl)-L-isoleucine http://purl.obolibrary.org/obo/CHEBI_139302 3_STAR
CHEBI:139338 biolink:ChemicalSubstance EC 1.14.17.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen and with reduced ascorbate as one donor, and incorporation of one atom of oxygen) inhibitor phenio.json http://purl.obolibrary.org/obo/CHEBI_139338 1_STAR
CHEBI:139339 biolink:ChemicalSubstance EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor An EC 1.14.17.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen and with reduced ascorbate as one donor, and incorporation of one atom of oxygen) inhibitor that interferes with the action of dopamine monooxygenase (EC 1.14.17.1). Wikipedia:Dopamine_beta-hydroxylase phenio.json (3,4-dihydroxyphenethylamine)beta-mono-oxygenase inhibitor|(3,4-dihydroxyphenethylamine)beta-mono-oxygenase inhibitors|3,4-dihydroxyphenethylamine beta-oxidase inhibitor|3,4-dihydroxyphenethylamine beta-oxidase inhibitors|3,4-dihydroxyphenethylamine,ascorbate:oxygen oxidoreductase (beta-hydroxylating) inhibitor|3,4-dihydroxyphenethylamine,ascorbate:oxygen oxidoreductase (beta-hydroxylating) inhibitors|4-(2-aminoethyl)pyrocatechol beta-oxidase inhibitor|4-(2-aminoethyl)pyrocatechol beta-oxidase inhibitors|DbetaH inhibitor|DbetaH inhibitors|EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitors|EC 1.14.17.1 inhibitor|EC 1.14.17.1 inhibitors|MDBH (membrane-associated dopamine beta-monooxygenase) inhibitor|MDBH (membrane-associated dopamine beta-monooxygenase) inhibitors|SDBH (soluble dopamine beta-monooxygenase) inhibitor|SDBH (soluble dopamine beta-monooxygenase) inhibitors|dopa beta-hydroxylase inhibitor|dopa beta-hydroxylase inhibitors|dopamine beta-hydroxylase inhibitor|dopamine beta-hydroxylase inhibitors|dopamine beta-monooxygenase (EC 1.14.17.1) inhibitor|dopamine beta-monooxygenase (EC 1.14.17.1) inhibitors|dopamine beta-monooxygenase inhibitor|dopamine beta-monooxygenase inhibitors|dopamine beta-oxidase inhibitor|dopamine beta-oxidase inhibitors|dopamine hydroxylase inhibitor|dopamine hydroxylase inhibitors|dopamine-B-hydroxylase inhibitor|dopamine-B-hydroxylase inhibitors|oxygenase, dopamine beta-mono-phenylamine beta-hydroxylase inhibitor|oxygenase, dopamine beta-mono-phenylamine beta-hydroxylase inhibitors http://purl.obolibrary.org/obo/CHEBI_139339 3_STAR
CHEBI:139340 biolink:ChemicalSubstance 1,3-dihydroimidazole-2-thiones A member of the class of imidazoles that is 1,3-dihydroimidazole-2-thione and its derivatives by substitution. phenio.json http://purl.obolibrary.org/obo/CHEBI_139340 3_STAR
CHEBI:139350 biolink:ChemicalSubstance alpha-D-Gal-(1->3)-alpha-D-GlcNAc-(1->4)-D-Gal-yl group A galactosyl group derived from alpha-D-Gal-(1->3)-alpha-D-GlcNAc-(1->4)-D-Gal. The precursor oligosaccharide group for the ABO blood group system. phenio.json alpha-D-galactosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-(1->4)-D-galactosyl group http://purl.obolibrary.org/obo/CHEBI_139350 3_STAR
CHEBI:139351 biolink:ChemicalSubstance alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group An alpha-D-galactosyl group derived from alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group. The blood group O (H) antigen from which subsequent sugar additions form blood groups A, B and AB phenio.json http://purl.obolibrary.org/obo/CHEBI_139351 3_STAR
CHEBI:139352 biolink:ChemicalSubstance alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group An alpha-D-galactosyl group derived from alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-alpha-D-Gal. Blood group A antigen. phenio.json A antigen http://purl.obolibrary.org/obo/CHEBI_139352 3_STAR
CHEBI:139353 biolink:ChemicalSubstance alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group A galactosyl group derived from alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group. Blood group B antigen. phenio.json B antigen|alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl group http://purl.obolibrary.org/obo/CHEBI_139353 3_STAR
CHEBI:139357 biolink:ChemicalSubstance (13)C-modified compound An isotopically modified compound in which the abundance of a (13)C isotope at one or more positions has been increased above that of the naturally occurring level. phenio.json (13)C-enriched compound|(13)C-enriched compounds|(13)C-labeled compound|(13)C-labeled compounds|(13)C-labelled compound|(13)C-labelled compounds|(13)C-modified compounds http://purl.obolibrary.org/obo/CHEBI_139357 3_STAR
CHEBI:139358 biolink:ChemicalSubstance isotopically modified compound Any molecular entity in which the isotopic ratio of nuclides for at least one element deviates measurably from that occurring in nature. The term includes both isotopically substituted compounds (in which essentially all the molecules of the compound have only the indicated nuclide(s) at each designated position) and isotopically labeled compounds (a formal mixture of an isotopically unmodified compound with one or more analogous isotopically substituted compound(s). phenio.json isotopically modified compounds http://purl.obolibrary.org/obo/CHEBI_139358 3_STAR
CHEBI:139361 biolink:ChemicalSubstance TRP channel blocker An agent that inhibits the passage of cations through the transient receptor potential (TRP) channels. PMID:17445088|PMID:21198543|PMID:21607648|PMID:22308955|Wikipedia:Transient_receptor_potential_channel phenio.json TRP channel blockers|transient receptor potential channel blocker|transient receptor potential channel blockers http://purl.obolibrary.org/obo/CHEBI_139361 3_STAR
CHEBI:139371 biolink:ChemicalSubstance aryl sulfate oxoanion An organosulfate oxoanion obtained by deprotonation of the sulfo group of any aryl sulfate. The R group in this structure represents an aromatic ring. phenio.json aryl sulfate anion|aryl sulfate anions|aryl sulfate oxoanions http://purl.obolibrary.org/obo/CHEBI_139371 3_STAR
CHEBI:139388 biolink:ChemicalSubstance 1,3,7,9-tetramethyluric acid An oxopurine that is uric acid in which the hydrogens at positions 1,3,7 and 9 are replaced by methyl groups. It is a purine alkaloid that is found in Chinese tea known as kucha (Camellia assamica var. kucha) and exhibits anti-inflammatory and analgesic properties. CAS:2309-49-1|Chemspider:67862|FooDB:FDB015351|HMDB:HMDB0004328|KNApSAcK:C00034312|MetaCyc:CPD-12505|PMID:12009315|PMID:1383710|PMID:14977550|PMID:20227468|PMID:22579816|PMID:23678853|PMID:23724689|PMID:26610558|PMID:26766930|PMID:27164220|PMID:27635133|PMID:28864241|PMID:28875060|PMID:29727630|PMID:31172618|PMID:31298401|PMID:32193380|PMID:32286351|PMID:32546720|PMID:32707370|PMID:32730889|PMID:32829142|PMID:331090|Patent:CN101289448|Wikipedia:Theacrine phenio.json 1,3,7,9-tetramethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione|1,3,7,9-tetramethyluric acid|Ba 2750|TeaCrine|temorine|temurin|tetramethyl uric acid|tetramethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione|tetramethyluric acid|theacrine http://purl.obolibrary.org/obo/CHEBI_139388 3_STAR
CHEBI:139394 biolink:ChemicalSubstance alpha-D-galactosyl ditrans,octacis-undecaprenyl diphosphate A polyprenyl glucosyl phosphate in which an alpha-D-galactosyl residue is linked to a undecaprenyl group via a diphospho group. phenio.json 1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-alpha-D-galactopyranose|alpha-D-galactosyl ditrans,polycis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_139394 3_STAR
CHEBI:13941 biolink:ChemicalSubstance carbamate Beilstein:3903503|CAS:302-11-4|Gmelin:239604 phenio.json Carbamat|Karbamat|carbamate|carbamate ion|carbamic acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_13941 3_STAR
CHEBI:139419 biolink:ChemicalSubstance beta-D-fructofuranose 1-phosphate A D-fructofuranose 1-phosphate in which the anomeric centre has beta-configuration. MetaCyc:FRU1P|PDBeChem:F1X|PMID:21239488|Reaxys:8783840 phenio.json 1-O-phosphono-beta-D-fructofuranose|1-O-phosphono-beta-D-fructose|beta-D-fructofuranose 1-(dihydrogen phosphate)|beta-D-fructose 1-phosphate http://purl.obolibrary.org/obo/CHEBI_139419 3_STAR
CHEBI:139479 biolink:ChemicalSubstance norbaeocystin A tryptamine alkaloid that is tryptamine carrying an additional phosphoryloxy substituent at position 4. CAS:21420-59-7|MetaCyc:CPD-20577|PMID:25826052|PMID:28763571|PMID:5684732|Reaxys:421031|Wikipedia:Norbaeocystin phenio.json 3-(2-aminoethyl)-1H-indol-4-yl dihydrogen phosphate|4-hydoxytryptamine 4-phosphate|4-hydoxytryptamine phosphate http://purl.obolibrary.org/obo/CHEBI_139479 3_STAR
CHEBI:139485 biolink:ChemicalSubstance Mycolipanolic acid (C24) LIPID_MAPS_instance:LMFA01020332 phenio.json http://purl.obolibrary.org/obo/CHEBI_139485 2_STAR
CHEBI:139492 biolink:ChemicalSubstance sensitiser A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound. phenio.json sensitisers|sensitizer|sensitizers http://purl.obolibrary.org/obo/CHEBI_139492 3_STAR
CHEBI:139493 biolink:ChemicalSubstance N(4)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc]-L-Asn residue An N(4)-glycosylated L-asparagine residue derived from N(4)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc]-L-Asn. MetaCyc:Man9GlcNAc2-proteins|PMID:11162524|PMID:16373354|PMID:17933909|PMID:8910335 phenio.json N(4)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc]-L-Asn residue http://purl.obolibrary.org/obo/CHEBI_139493 3_STAR
CHEBI:1395 biolink:ChemicalSubstance 3,5-dibromo-4-hydroxybenzoic acid A monohydroxybenzoic acid that is p-salicylic acid with bromo- substituents at C-3 and C-5 of the benzene ring. CAS:3337-62-0|KEGG:C03925|PMID:15589368|Reaxys:2416147 phenio.json 3,5-Dibrom-4-hydroxy-benzoesaeure|3,5-dibromo-4-hydroxybenzoic acid|3,5-dibromo-p-salicylic acid|DiBrHBz|acide dibromo-3,5 hydroxy-4-benzoique|bromoxynylbenzoic acid http://purl.obolibrary.org/obo/CHEBI_1395 3_STAR
CHEBI:139504 biolink:ChemicalSubstance N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn MetaCyc:2-4-2-N-linked-Glycan|PMID:1325461 phenio.json N(4)-{beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asp residue http://purl.obolibrary.org/obo/CHEBI_139504 3_STAR
CHEBI:139507 biolink:ChemicalSubstance N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn. KEGG:G00020|MetaCyc:24-2-N-linked-Glycan|PMID:10372966|PMID:20015870 phenio.json N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue http://purl.obolibrary.org/obo/CHEBI_139507 3_STAR
CHEBI:139510 biolink:ChemicalSubstance N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn. KEGG:G00021|MetaCyc:24-26-N-linked-Glycan phenio.json N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue http://purl.obolibrary.org/obo/CHEBI_139510 3_STAR
CHEBI:139511 biolink:ChemicalSubstance reduced coenzyme F420-(gamma-Glu)n polyanion A polyanionic polymer obtained by global deprotonation of the carboxy and phosphate groups of reduced coenzyme F420-(gamma-Glu)n. Major microspecies at pH 7.3 phenio.json reduced coenzyme F420-(gamma-Glu)n http://purl.obolibrary.org/obo/CHEBI_139511 3_STAR
CHEBI:139512 biolink:ChemicalSubstance EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitor An EC 1.3.1.* (oxidoreductase acting on donor CH-CH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of enoyl-[acyl-carrier-protein] reductase (NADH), EC 1.3.1.9. Wikipedia:Enoyl-acyl_carrier_protein_reductase phenio.json EC 1.3.1.9 [enoyl-[acyl-carrier-protein] reductase (NADH)] inhibitors|EC 1.3.1.9 inhibitor|EC 1.3.1.9 inhibitors|ENR inhibitor|ENR inhibitors|NADH-enoyl acyl carrier protein reductase inhibitor|NADH-enoyl acyl carrier protein reductase inhibitors|NADH-specific enoyl-ACP reductase inhibitor|NADH-specific enoyl-ACP reductase inhibitors|acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitor|acyl-[acyl-carrier-protein]:NAD+ oxidoreductase inhibitors|enoyl-ACP reductase inhibitor|enoyl-ACP reductase inhibitors|enoyl-[acyl carrier protein] reductase inhibitor|enoyl-[acyl carrier protein] reductase inhibitors http://purl.obolibrary.org/obo/CHEBI_139512 3_STAR
CHEBI:139513 biolink:ChemicalSubstance N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue An N(4)-glycosylated L-asparagine residue derived from N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn. KEGG:G00022|MetaCyc:24-246-N-linked-Glycan phenio.json N(4)-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-alpha-D-Man-(1->3)-[beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue http://purl.obolibrary.org/obo/CHEBI_139513 3_STAR
CHEBI:139519 biolink:ChemicalSubstance thymidine dimer(2-) residue An organic anionic group obtained by deprotonation of the phosphate OH groups of thymidine dimer residue; major microspecies at pH 7.3 MetaCyc:CPD-11643 phenio.json thymidine dimer residue http://purl.obolibrary.org/obo/CHEBI_139519 3_STAR
CHEBI:139520 biolink:ChemicalSubstance phenolic donor Any phenol that acts as an electron donor. MetaCyc:Phenolic-Donors|PMID:16098794 phenio.json a phenolic donor|phenolic donors http://purl.obolibrary.org/obo/CHEBI_139520 3_STAR
CHEBI:139521 biolink:ChemicalSubstance phenolic radical donor Any phenoxy radical that acts as an electron donor. MetaCyc:Phenoxyl-rad-of-phenolic-donors|PMID:33810819 phenio.json a phenolic radical donor|a phenoxyl radical of a phenolic donor|phenolic radical donors http://purl.obolibrary.org/obo/CHEBI_139521 3_STAR
CHEBI:139539 biolink:ChemicalSubstance (S,S)-bis-(3-oleoylglycero)-1-phosphate A 2,2'-lysobisphosphatidic acid in which both acyl groups are specified as oleoyl. PMID:21788486|Reaxys:28957883 phenio.json (S,S) 18:1(9Z) BMP|(S,S)-bis-(3-oleoyl-sn-glycero)-1-phosphate|(S,S)-bis-[3-(9Z-octadecenoyl)-sn-glycero]-1-phosphate|(S,S)-bis-[3-(9Z-octadecenoyl)glycero]-1-phosphate|(hydroxyphosphoryl)bis[oxy(2S)-2-hydroxypropane-3,1-diyl] (9Z,9'Z)di-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_139539 3_STAR
CHEBI:139556 biolink:ChemicalSubstance EC 4.1.1.17 (ornithine decarboxylase) inhibitor An EC 4.1.1.* (carboxy-lyase) inhibitor that interferes with the action of ornithine decarboxylase (EC 4.1.1.17). phenio.json EC 4.1.1.17 (ornithine decarboxylase) inhibitors|EC 4.1.1.17 inhibitor|EC 4.1.1.17 inhibitors|L-ornithine carboxy-lyase (putrescine-forming) inhibitor|L-ornithine carboxy-lyase (putrescine-forming) inhibitors|L-ornithine carboxy-lyase inhibitor|L-ornithine carboxy-lyase inhibitors|ODC inhibitor|ODC inhibitors|SpeC inhibitor|SpeC inhibitors http://purl.obolibrary.org/obo/CHEBI_139556 3_STAR
CHEBI:139557 biolink:ChemicalSubstance antalarmin A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidin-4-amine which is substituted by methyl groups at positions 2, 5, and 6, by a mesityl group at position 7, and in which the amino substituent at position 4 has been substituted by ethyl and butyl groups. It is an antagonist of corticotropin-releasing factor 1 (CRF-1) receptors (Ki = 1 nM). CAS:157284-96-3|PMID:12097816|PMID:15696320|PMID:16820021|PMID:17182090|PMID:17397037|PMID:17705061|PMID:18423834|PMID:18428980|PMID:18830607|PMID:19573565|PMID:21203337|PMID:23211705|PMID:23796983|PMID:24444675|PMID:8940412|PMID:9886810|Wikipedia:Antalarmin phenio.json N-butyl-N-ethyl-7-mesityl-2,5,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine http://purl.obolibrary.org/obo/CHEBI_139557 3_STAR
CHEBI:13956 biolink:ChemicalSubstance ceramide 1-phosphate A phosphosphingolipid consisting of any ceramide phosphorylated at position 1 phenio.json http://purl.obolibrary.org/obo/CHEBI_13956 3_STAR
CHEBI:139563 biolink:ChemicalSubstance octadecatrienoyl-CoA(4-) A polyunsaturated fatty acyl-CoA(4-) in which the S-acyl moiety contains 18 carbons and 3 double bonds at unknown positions. Major species at pH 7.3. phenio.json octadecatrienoyl-CoA http://purl.obolibrary.org/obo/CHEBI_139563 3_STAR
CHEBI:139565 biolink:ChemicalSubstance octadecadienoyl-CoA(4-) A polyunsaturated fatty acyl-CoA(4-) in which the S-acyl moiety contains 18 carbons and 2 double bonds at unknown positions. Major species at pH 7.3. phenio.json octadecadienoyl-CoA http://purl.obolibrary.org/obo/CHEBI_139565 3_STAR
CHEBI:139567 biolink:ChemicalSubstance octadecenoyl-CoA(4-) A long-chain fatty acyl-CoA(4-) in which the S-acyl moiety contains 18 carbons and 1 double bond. Major species at pH 7.3. phenio.json octadecenoate-CoA http://purl.obolibrary.org/obo/CHEBI_139567 3_STAR
CHEBI:139572 biolink:ChemicalSubstance hexadecenoyl-CoA(4-) A long-chain fatty acyl-CoA in which the S-acyl moiety contains 16 carbons and 1 double bond. Major species at pH 7.3. phenio.json hexadecenoate-CoA|hexadecenoyl-CoA (4-)|hexadecenoyl-coenzyme A(4-) http://purl.obolibrary.org/obo/CHEBI_139572 3_STAR
CHEBI:139574 biolink:ChemicalSubstance octadecenoyl-CoA Any unsaturated fatty acyl-CoA in which the S-acyl moiety contains 18 carbons and 1 double bond. phenio.json http://purl.obolibrary.org/obo/CHEBI_139574 3_STAR
CHEBI:139575 biolink:ChemicalSubstance monounsaturated fatty acyl-CoA Any unsaturated fatty acyl-CoA in which the fatty acyl chain contains one carbon-carbon double bond. PMID:17277381|PMID:3382682 phenio.json monounsaturated fatty acyl-CoAs|monounsaturated fatty acyl-Coenzyme A http://purl.obolibrary.org/obo/CHEBI_139575 3_STAR
CHEBI:139576 biolink:ChemicalSubstance octadecatrienoyl-CoA An unsaturated fatty acyl-CoA in which the S-acyl moiety contains 18 carbons and 3 double bonds at unknown positions. phenio.json http://purl.obolibrary.org/obo/CHEBI_139576 3_STAR
CHEBI:139578 biolink:ChemicalSubstance octadecadienoyl-CoA An unsaturated fatty acyl-CoA in which the S-acyl moiety contains 18 carbons and 2 double bonds at unknown positions. phenio.json octadecadienoyl-Coenzyme A http://purl.obolibrary.org/obo/CHEBI_139578 3_STAR
CHEBI:139588 biolink:ChemicalSubstance alpha-hydroxy ketone A ketone containing a hydroxy group on the alpha-carbon relative to the C=O group. PMID:15326516|PMID:19908854|PMID:20382022|PMID:23295224 phenio.json alpha-hydroxy ketones|alpha-hydroxy-ketone|alpha-hydroxy-ketones|alpha-hydroxyketone|alpha-hydroxyketones http://purl.obolibrary.org/obo/CHEBI_139588 3_STAR
CHEBI:139589 biolink:ChemicalSubstance retinoid anion A carboxylic acid anion obtained by deprotonation of any retinoid carboxy group. phenio.json retinoate|retinoates|retinoid anions|retinoid carboxylate anion|retinoid carboxylate anions|retinoid carboxylic acid anion|retinoid carboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_139589 3_STAR
CHEBI:139590 biolink:ChemicalSubstance primary alpha-hydroxy ketone An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a -CH2 (methylene) group. phenio.json primary alpha-hydroxy ketones|primary alpha-hydroxy-ketone|primary alpha-hydroxy-ketones|primary alpha-hydroxyketone|primary alpha-hydroxyketones http://purl.obolibrary.org/obo/CHEBI_139590 3_STAR
CHEBI:139592 biolink:ChemicalSubstance tertiary alpha-hydroxy ketone An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups. phenio.json tertiary alpha-hydroxy ketones|tertiary alpha-hydroxy-ketone|tertiary alpha-hydroxy-ketones|tertiary alpha-hydroxyketone|tertiary alpha-hydroxyketones http://purl.obolibrary.org/obo/CHEBI_139592 3_STAR
CHEBI:139596 biolink:ChemicalSubstance N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminide(1-) A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of any alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-alpha-D-galactosaminide; major species at pH 7.3. phenio.json an N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-galactosaminyl derivative http://purl.obolibrary.org/obo/CHEBI_139596 3_STAR
CHEBI:139604 biolink:ChemicalSubstance beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminide Any glycoside derived from beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosamine. phenio.json a beta-D-galactosyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-N-acetyl-alpha-D-galactosaminyl derivative|beta-D-Gal-(1->3)-[beta-D-GlcNAc-(1->6)]-alpha-D-GalNAc-OR http://purl.obolibrary.org/obo/CHEBI_139604 3_STAR
CHEBI:139608 biolink:ChemicalSubstance sepantronium bromide An organic bromide salt consisting of sepantronium cations and bromide anions. It has been found to selectively inhibit survivin (BIRC5) gene promoter activity and to down-regulate survivin in vitro, so leading to induction of apoptosis. CAS:781661-94-7|KEGG:D10164|PMID:22787117|PMID:22806304|PMID:22842455|PMID:22892872|PMID:23138529|PMID:23325792|PMID:23740602|PMID:23857959|PMID:24297644|PMID:24432379|PMID:24518133|PMID:24993306|PMID:25033765|PMID:25296978|PMID:25533314|PMID:25659731|PMID:25955434|PMID:26023798|PMID:26090615|PMID:26547260|PMID:26857688|PMID:27151995|PMID:27271121|PMID:27754993|PMID:28618939|Patent:EP2127652|Patent:US7618992 phenio.json 1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho[2,3-d]imidazol-3-ium bromide|3-(2-methoxyethyl)-2-methyl-4,9-dioxo-1-(pyrazin-2-ylmethyl)-4,9-dihydro-1H-naphtho[2,3-d]imidazol-3-ium bromide|YM 155|YM-155|bromure de sepantronium|bromuro de sepantronio|sepantronii bromidum|sepantronium bromide http://purl.obolibrary.org/obo/CHEBI_139608 3_STAR
CHEBI:139609 biolink:ChemicalSubstance survivin suppressant An apoptosis inducer that works by selectively inhibiting survivin (BIRC5) gene promoter activity so as to down-regulate survivin, a protein that inhibits apoptosis, so leading to induction of apoptosis. phenio.json survivin suppressants|survivin suppressor|survivin suppressors http://purl.obolibrary.org/obo/CHEBI_139609 3_STAR
CHEBI:13997 biolink:ChemicalSubstance citramalate(2-) A dicarboxylic acid dianion that is obtained by removal of a proton from both of the carboxylic acid groups of citramalic acid. Reaxys:3944359 phenio.json 2-hydroxy-2-methylbutanedioate|2-hydroxy-2-methylsuccinate|2-methylmalate|citramalate http://purl.obolibrary.org/obo/CHEBI_13997 3_STAR
CHEBI:140079 biolink:ChemicalSubstance itasetron Chemspider:16736654 phenio.json http://purl.obolibrary.org/obo/CHEBI_140079 2_STAR
CHEBI:140159 biolink:ChemicalSubstance D-hexose phosphate(2-) An organophosphate oxoanion that is the dianion of any mono-phosphorylated D-hexose having a chain of six carbon atoms in the molecule. (Formula C6H11O9P). phenio.json a D-hexose phosphate http://purl.obolibrary.org/obo/CHEBI_140159 3_STAR
CHEBI:140162 biolink:ChemicalSubstance beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group An alpha-D-galactosyl group derived from beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal The minimum precursor oligosaccharide sequence required by the ABO blood group system to form antigens. This sequence is for Type 1 chains found in secretions. phenio.json Type 1 chain|beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-(1->3)-alpha-D-galactosyl group http://purl.obolibrary.org/obo/CHEBI_140162 3_STAR
CHEBI:140165 biolink:ChemicalSubstance Brassica napus metabolite Any plant metabolite that is produced by rapeseed (Brassica napus). Wikipedia:Rapeseed phenio.json Brassica napus metabolites|rapeseed metabolite|rapeseed metabolites http://purl.obolibrary.org/obo/CHEBI_140165 3_STAR
CHEBI:140180 biolink:ChemicalSubstance alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group An alpha-D-galactosyl group derived from alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group. The H (O) antigen formed from a Type 1 precursor chain. PMID:7691279 phenio.json 6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-alpha-D-galactopyranosyl|O blood Ag|alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-alpha-D-Galp-yl|alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-alpha-D-galactopyranosyl|alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl group|blood group O antigen http://purl.obolibrary.org/obo/CHEBI_140180 3_STAR
CHEBI:140181 biolink:ChemicalSubstance (3R,4R)-4,2'-dihydroxyisoflavans Any member of the class of hydroxyisoflavans that has two hydroxy substituents located at positions 2' and 4 as well as 3R,4R-stereochemistry. phenio.json a (3R,4R)-4,2'-dihydroxyisoflavan http://purl.obolibrary.org/obo/CHEBI_140181 3_STAR
CHEBI:140183 biolink:ChemicalSubstance (3R)-2'-hydroxyisoflavanones Any member of the class of hydroxyisoflavans that has a hydroxy substituent located at position 2 and 3R-stereochemistry. MetaCyc:2prime-hydroxyisoflavanones phenio.json a (3R)-2'-hydroxyisoflavanone http://purl.obolibrary.org/obo/CHEBI_140183 3_STAR
CHEBI:140186 biolink:ChemicalSubstance alpha-L-Fuc-(1->2)-[alpha-D-GalNAc-(1->3)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group A galactosyl group derived from alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal. Antigen A formed in 'secretor' individuals PMID:7691279 phenio.json 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-alpha-D-galactopyranosyl|2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-alpha-D-galactopyranosyl|A antigen (secretor)|A blood Ag|N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl group|alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group|alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-alpha-D-Galp-yl|blood group A antigen http://purl.obolibrary.org/obo/CHEBI_140186 3_STAR
CHEBI:140187 biolink:ChemicalSubstance alpha-L-Fuc-(1->2)-[alpha-D-Gal-(1->3)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl group A galactosyl group derived from alpha-L-Fuc-(1->2)-[alpha-D-Gal-(1->3)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal. B Antigen formed in 'secretor' individuals. PMID:7691279 phenio.json B Antigen (secretor)|B blood Ag|alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-yl|alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl group|alpha-L-Fucp-(1->2)-[alpha-D-Galp-(1->3)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-alpha-D-Galp-yl|alpha-L-fucosyl-(1->2)-[alpha-D-galactosyl-(1->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl|blood group B antigen http://purl.obolibrary.org/obo/CHEBI_140187 3_STAR
CHEBI:140190 biolink:ChemicalSubstance calcium-dependent antibiotics Any antimicrobial agent whose activity is dependent on the presence of calcium ions. PMID:18489906|PMID:22711659|PMID:29108098|PMID:29434326 phenio.json Ca(2+)-dependent antibiotic|Ca(2+)-dependent antibiotics|Ca-dependent antibiotic|Ca-dependent antibiotics|calcium-dependent antibiotic http://purl.obolibrary.org/obo/CHEBI_140190 3_STAR
CHEBI:140192 biolink:ChemicalSubstance 17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoic acid A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid having an epoxy group across positions 16 and 17. PMID:17055291 phenio.json (4Z,7Z,10Z,13Z)-15-{(3R)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-ylidene}pentadeca-4,7,10,13-tetraenoic acid|17R(16)-epoxy-DHA|17R,(16)-epoxy-DHA http://purl.obolibrary.org/obo/CHEBI_140192 3_STAR
CHEBI:140193 biolink:ChemicalSubstance (7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid A dihydroxydocosahexaenoic acid that is (4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 7S- and 14S-positions. PMID:19103881|Reaxys:21813988 phenio.json (4Z,7S,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid|(4Z,7S,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosahexaenoic acid|(7S)-MaR1|(7S)-maresin 1|(7S,14S)-dihydroxydocosahexaenoic acid|7(S),14(S)-diHDHA|7(S),14(S)-dihydroxy-docosahexaenoic acid|7-epi-MaR1|7-epi-maresin 1 http://purl.obolibrary.org/obo/CHEBI_140193 3_STAR
CHEBI:140196 biolink:ChemicalSubstance (7S,14S)-bis(hydroperoxy)-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid A docosanoid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at the 7S- and 14S-positions. PMID:19103881 phenio.json (4Z,7S,8E,10Z,12E,14S,16Z,19Z)-7,14-bis(hydroperoxy)docosa-4,8,10,12,16,19-hexaenoic acid|(4Z,7S,8E,10Z,12E,14S,16Z,19Z)-7,14-bis(hydroperoxy)docosahexaenoic acid|7(S),14(S)-diHp-DHA|7(S),14(S)-diHpDHA http://purl.obolibrary.org/obo/CHEBI_140196 3_STAR
CHEBI:140200 biolink:ChemicalSubstance (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid An epoxydocosapentaenoic acid (7Z,9E,11E,16Z,19Z)-docosapentaenoic acid in which the epoxy group is located at the 13,14-position. An intermediate in the specialised proresolving mediators PMID:23736886 phenio.json (7Z,9E,11E)-12-{3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}dodeca-7,9,11-trienoic acid|13,14-epoxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid|13,14-epoxy-DPAn-3|13,14-epoxydocosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140200 3_STAR
CHEBI:140202 biolink:ChemicalSubstance aspirin-triggered protectin D1 A dihydroxydocosahexaenoic acid that is (4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at positions 10 and 17 (the 10R,17R-stereoisomer). PMID:21867913|PMID:22542947|PMID:22566962|PMID:22690022|PMID:24262603|PMID:24520010|PMID:25139562|PMID:27121596|Reaxys:22110134 phenio.json (4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid|(4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-dihydroxydocosahexaenoic acid|10(R),17(R)-dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid|AT-(NPD1/PD1)|AT-NPD1|AT-PD1|aspirin-triggered neuroprotectin D1 http://purl.obolibrary.org/obo/CHEBI_140202 3_STAR
CHEBI:140204 biolink:ChemicalSubstance (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid An oxodocosahexaenoic acid that is (4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoic acid in which the oxo group is located at position 13. An intermediate of specialised proresolving mediators. PMID:26339618 phenio.json (4Z,7Z,10Z,14E,16Z,19Z)-13-ketodocosahexaenoic acid|(4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosa-4,7,10,14,16,19-hexaenoic acid|13-oxo-(4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoic acid|13-oxo-DHA|13-oxodocosahexaenoic acid http://purl.obolibrary.org/obo/CHEBI_140204 3_STAR
CHEBI:140205 biolink:ChemicalSubstance (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid An docosanoid that is (7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid carrying an oxo substituent at position 13. An intermediate of specialised proresolving mediators. PMID:26339618 phenio.json (7Z,10Z,14E,16Z,19Z)-13-ketodocosapentaenoic acid|(7Z,10Z,14E,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoic acid|13-oxo-(7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid|13-oxo-DPAn-3|13-oxo-omega-3-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140205 3_STAR
CHEBI:140208 biolink:ChemicalSubstance aspirin-triggered protectin D1(1-) A dihydroxydocosahexaenoate that is the conjugate base of aspirin-triggered protectin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate|(4Z,7Z,10R,11E,13E,15Z,17R,19Z)-10,17-dihydroxydocosahexaenoate|10(R),17(R)-dihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoate|AT-(NPD1/PD1)(1-)|AT-NPD1(1-)|AT-PD1(1-)|aspirin-triggered neuroprotectin D1(1-) http://purl.obolibrary.org/obo/CHEBI_140208 3_STAR
CHEBI:140218 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid A hydroxydocosapentaenoic acid that is (4Z,7Z,10Z,12E,16Z)-docosapentaenoic acid in which the hydroxy group is located at the 14S-position. An intermediate of specialised proresolving mediators phenio.json (14S)-hydroxy-(4Z,7Z,10Z,12E,16Z)-docosapentaenoic acid|(4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosa-4,7,10,12,16-pentaenoic acid|14(S)-HDPAn-6|14(S)-HDoPEn-6|14(S)-hydroxy-omega-6-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140218 3_STAR
CHEBI:140220 biolink:ChemicalSubstance (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoic acid A hydroperoxy fatty acid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the hydroperoxy group is located at position 14S. An intermediate of specialised proresolving mediators PMID:23736886 phenio.json (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-4,8,10,12,16,19-hexaenoic acid|14(S)-HpDHA|14(S)-hydroperoxydocosahexaenoic acid http://purl.obolibrary.org/obo/CHEBI_140220 3_STAR
CHEBI:140222 biolink:ChemicalSubstance (7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoic acid A (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid in which the chiral centre at position 14 has S-configuration. An intermediate of specialised proresolving mediators. PMID:23736886 phenio.json (14S)-hydroperoxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid|(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-7,10,12,16,19-pentaenoic acid|14(S)-HPDoPE(n-3)|14(S)-HpDPA(n-3)|14(S)-HpDPAn-3|14(S)-hydroperoxy-omega-3-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140222 3_STAR
CHEBI:140223 biolink:ChemicalSubstance 15-deoxy-Delta(12,14)-prostaglandin J3 A prostaglandin J derivative comprising prostaglandin J3 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. An intermediate of specialised proresolving mediators PMID:21967980|PMID:23734181|PMID:26339618|Reaxys:29567714 phenio.json (5Z)-7-{(1S,5E)-5-[(2E,5Z)-octa-2,5-dien-1-ylidene]-4-oxocyclopent-2-en-1-yl}hept-5-enoic acid|(5Z,12E,14E,17Z)-11-oxoprosta-5,9,12,14,17-pentaen-1-oic acid|15-deoxy-delta(12,14)-prostaglandin J3|15-deoxyprostaglandin J3|15d-PGJ3 http://purl.obolibrary.org/obo/CHEBI_140223 3_STAR
CHEBI:140224 biolink:ChemicalSubstance (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoic acid A (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid in which the chiral centres at positions 16 and 17 both have S-configuration. An intermediate of specialized proresolving mediators PMID:23736886|Reaxys:31878856 phenio.json (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosa-7,10,12,14,19-pentaenoic acid|(7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-7,10,12,14-tetraenoic acid|16(S),17(S)-epoxy-DPA(n-3)|16(S),17(S)-epoxy-omega-3-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140224 3_STAR
CHEBI:140225 biolink:ChemicalSubstance (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid An epoxy fatty acid consisting of (4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid having an epoxy group located at the 16,17-position. An intermediate lipid in specialized proresolving mediators. PMID:26580578|PMID:26878209|Reaxys:29003682 phenio.json (16S,17S)-epoxy-DHA|(16S,17S)-epoxydocosahexaenoic acid|(16S,17S)-epoxyprotectin|(4Z,7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,12,14-pentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140225 3_STAR
CHEBI:140226 biolink:ChemicalSubstance (7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoic acid A (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoic acid in which the chiral centre at position 17 has S-configuration. An intermediate of specialised proresolving mediators. PMID:23736886 phenio.json (7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-7,10,13,15,19-pentaenoic acid|17(S)-Hp-DPA(n-3)|17(S)-HpDoPE(n-3)|17(S)-hydroperoxy-omega-3-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140226 3_STAR
CHEBI:140234 biolink:ChemicalSubstance 7,8-epoxy,17-hydroxy-(9E,11E,13Z,15E,19Z)-docosapentaenoic acid A docosanoid that is (9E,11E,13Z,15E,19Z)-docosapentaenoic acid carrying an epoxy group across positions 7 and 8 as well as a hydroxy substituent at position 17. An intermediate of specialised proresolving mediators. PMID:23736886 phenio.json (9E,11E,13Z,15E,19Z)-7,8-epoxy,17-hydroxydocosapentaenoic acid|6-{3-[(1E,3E,5Z,7E,11Z)-9-hydroxytetradeca-1,3,5,7,11-pentaen-1-yl]oxiran-2-yl}hexanoic acid|7,8-epoxy,17-HDPA(n-3)|7,8-epoxy,17-hydroxy-omega-3-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140234 3_STAR
CHEBI:140235 biolink:ChemicalSubstance (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoate A docosanoid anion that is the conjugate base of (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (7Z,9E,11E)-12-{3-[(2Z,5Z)-octa-2,5-dien-1-yl]oxiran-2-yl}dodeca-7,9,11-trienoate|13,14-epoxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140235 3_STAR
CHEBI:140236 biolink:ChemicalSubstance (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoate An oxodocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,7Z,10Z,14E,16Z,19Z)-13-ketodocosahexaenoate|(4Z,7Z,10Z,14E,16Z,19Z)-13-oxodocosa-4,7,10,14,16,19-hexaenoate|13-oxo-(4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoate|13-oxo-DHA(1-) http://purl.obolibrary.org/obo/CHEBI_140236 3_STAR
CHEBI:140237 biolink:ChemicalSubstance (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoate A docosanoid anion that is the conjugate base of (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (7Z,10Z,14E,16Z,19Z)-13-ketodocosapentaenoate|(7Z,10Z,14E,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoate|13-oxo-(7Z,10Z,14E,16Z,19Z)-docosapentaenoate|13-oxo-DPAn-3(1-)|13-oxo-omega-3-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140237 3_STAR
CHEBI:140238 biolink:ChemicalSubstance (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid An oxodocosahexaenoic acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid in which the oxo group is located at position 17. An intermediate of specialised proresolving mediators. PMID:24594225|PMID:26339618|PMID:27337155|PMID:27883019|PMID:29435611|Reaxys:26960428 phenio.json (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosa-4,7,10,13,15,19-hexaenoic acid|17-oxo-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid|17-oxo-DHA|17-oxodocosahexaenoic acid http://purl.obolibrary.org/obo/CHEBI_140238 3_STAR
CHEBI:140239 biolink:ChemicalSubstance (7Z,10Z,13Z,15E,19Z)-17-oxodocosapentaenoic acid A docosanoid that is (7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid carrying an oxo substituent at position 17. An intermediate of specialised proresolving mediators. PMID:24736647|PMID:26339618|Reaxys:24889878 phenio.json (7Z,10Z,13Z,15E,19Z)-17-oxodocosa-7,10,13,15,19-pentaenoic acid|17-oxo-(7Z,10Z,13Z,15E,19Z)-docosapentaenoic acid|17-oxo-DPA|17-oxo-DPA(n-3)|17-oxo-DPAn-3|17-oxo-omega3-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140239 3_STAR
CHEBI:140243 biolink:ChemicalSubstance 22-hydroxyprotectin D1 A docosanoid that is protectin D1 in which one of the terminal methyl hydrogens has been replaced by a hydroxy group. An intermediate of specialised proresolving mediators PMID:25247845|Reaxys:27632053 phenio.json (4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17,22-trihydroxydocosa-4,7,11,13,15,19-hexaenoic acid|(4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17,22-trihydroxydocosahexaenoic acid|10(R),17(S),20-trihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoic acid|22-OH-(N)PD1|22-OH-PD1|22-hydroxy-(neuro)protectin D1|22-hydroxyneuroprotectin D1 http://purl.obolibrary.org/obo/CHEBI_140243 3_STAR
CHEBI:140244 biolink:ChemicalSubstance (6E,8Z,11Z,14Z,17Z)-5-oxoicosapentaenoic acid An icosanoid that is (6E,8Z,11Z,14Z,17Z)-icosapentaenoic acid carrying an oxo substituent at position 5. An intermediate of specialised proresolving mediators. PMID:24736647|PMID:26339618|PMID:8847485|Reaxys:15801996 phenio.json (6E,8Z,11Z,14Z,17Z)-5-oxoeicosapentaenoic acid|(6E,8Z,11Z,14Z,17Z)-5-oxoicosa-6,8,11,14,17-pentaenoic acid|5-oxo-(6E,8Z,11Z,14Z,17Z)-eicosapentaenoic acid|5-oxo-(6E,8Z,11Z,14Z,17Z)-icosapentaenoic acid|5-oxo-EPA|5-oxo-EPE|5-oxoeicosapentaenoic acid|5-oxoicosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140244 3_STAR
CHEBI:140245 biolink:ChemicalSubstance (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid A docosanoid that is (4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at the 7S- and 17S-positions. PMID:23471029 phenio.json (4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-bis(hydroperoxy)docosa-4,8,10,13,15,19-hexaenoic acid|(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-bis(hydroperoxy)docosahexaenoic acid|7(S),17(S)-diHpDHA|7(S),17(S)-dihydroperoxydocosahexaenoic acid|7S,17S-diH(P)DHA http://purl.obolibrary.org/obo/CHEBI_140245 3_STAR
CHEBI:140248 biolink:ChemicalSubstance (8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosapentaenoic acid A hydroperoxydocosapentaenoic acid that is (8E,10Z,13Z,15E,19Z)-docosapentaenooic acid carrying two hydroperoxy substituents at positions 7 and 17. An intermediate of specialised proresolving mediators. PMID:23736886 phenio.json (8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosa-8,10,13,15,19-pentaenoic acid|7,17-DHpDPE(n-3)|7,17-bis(hydroperoxy)-(8E,10Z,13Z,15E,19Z)-docosapentaenoic acid|7,17-diHp-DPAn-3|7,17-diHpDPA(n-3)|7,17-dihydroperoxy-omega3-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140248 3_STAR
CHEBI:140250 biolink:ChemicalSubstance (8E,10Z,13Z,16Z,19Z)-7-hydroxydocosapentaenoic acid A hydroxydocosapentaenoic acid that consists of (8E,10Z,13Z,16Z,19Z)-docosapentaenoic acid carrying a hydroxy substituent at position 7. An intermediate of specialised proresolving mediators. PMID:21807091|PMID:26339618|Reaxys:25832718 phenio.json (8E,10Z,13Z,16Z,19Z)-7-hydroxydocosa-8,10,13,16,19-pentaenoic acid|7-HDPA(n-3)|7-HDPAn-3|7-HDoPE(n-3)|7-hydroxy-(8E,10Z,13Z,16Z,19Z)-docosapentaenoic acid|7-hydroxy-omega3-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140250 3_STAR
CHEBI:140251 biolink:ChemicalSubstance (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoate A hydroxydocosapentaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. phenio.json (14S)-hydroxy-(4Z,7Z,10Z,12E,16Z)-docosapentaenoate|(4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosa-4,7,10,12,16-pentaenoate|14(S)-HDPAn-6(1-)|14(S)-HDoPEn-6(1-)|14(S)-hydroxy-omega-6-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140251 3_STAR
CHEBI:140252 biolink:ChemicalSubstance (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid A oxodocosahexaenoic acid that consists of (4Z,8E,10Z,13Z,16Z,19Z)-docosahexaenoic acid carrying an oxo substituent at position 7. An intermediate of specialised proresolving mediators. PMID:26339618|Reaxys:27937080 phenio.json (4Z,8E,10Z,13Z,16Z,19Z)-7-ketodocosahexaenoic acid|(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosa-4,8,10,13,16,19-hexaenoic acid|7-oxo-(4Z,8E,10Z,13Z,16Z,19Z)-docosahexaenoic acid|7-oxo-DHA|7-oxodocosahexaenoic acid http://purl.obolibrary.org/obo/CHEBI_140252 3_STAR
CHEBI:140253 biolink:ChemicalSubstance (8E,10Z,13Z,16Z,19Z)-7-oxodocosapentaenoic acid A docosanoid that consists of (8E,10Z,13Z,16Z,19Z)-docosapentaenoic acid carrying an oxo substituent at position 7. An intermediate of specialised proresolving mediators. PMID:26339618 phenio.json (8E,10Z,13Z,16Z,19Z)-7-oxodocosa-8,10,13,16,19-pentaenoic acid|7-oxo-(8E,10Z,13Z,16Z,19Z)-docosapentaenoic acid|7-oxo-DPA(n-3)|7-oxo-DPAn-3|7-oxo-omega3-docosapentaenoic acid http://purl.obolibrary.org/obo/CHEBI_140253 3_STAR
CHEBI:140256 biolink:ChemicalSubstance (7R,14S)-dihydroxy-(8E,10E,12Z,16Z,19Z)-docosapentaenoic acid A docosanoid that is (8E,10E,12Z,16Z,19Z)-docosapentaenoic acid carrying two hydroxy substituents at positions 7R and 14S. An intermediate of specialised proresolving mediators. PMID:23736886|PMID:24262603|PMID:25225129|PMID:28408222 phenio.json (7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-8,10,12,16,19-pentaenoic acid|(7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosapentaenoic acid|7(R),14(S)-dihydroxy-omega3-docosapentaenoic acid|MaR1n-3 DPA http://purl.obolibrary.org/obo/CHEBI_140256 3_STAR
CHEBI:140257 biolink:ChemicalSubstance 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid A docosanoid that is (7Z,9E,11E,16Z,19Z)-docosapentaenoic acid carrying two hydroxy substituents at positions 13 and 14. An intermediate of specialised proresolving mediators. PMID:23736886|PMID:28408222 phenio.json (7Z,9E,11E,14S,16Z,19Z)-13,14-dihydroxydocosa-7,9,11,16,19-pentaenoic acid|(7Z,9E,11E,14S,16Z,19Z)-13,14-dihydroxydocosapentaenoic acid|13,14(S)-dihydroxy-omega3-docosapentaenoic acid|MaR2n-3 DPA http://purl.obolibrary.org/obo/CHEBI_140257 3_STAR
CHEBI:140258 biolink:ChemicalSubstance 14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid A docosanoid that is (7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid carrying two hydroxy substituents at positions 14S and 21. An intermediate of specialised proresolving mediators. PMID:23736886|PMID:28408222 phenio.json (7Z,10Z,12E,14S,16Z,19Z)-14,21-dihydroxydocosa-7,10,12,16,19-pentaenoic acid|(7Z,10Z,12E,14S,16Z,19Z)-14,21-dihydroxydocosapentaenoic acid|14(S),21-dihydroxy-omega3-docosapentaenoic acid|MaR3n-3 DPA http://purl.obolibrary.org/obo/CHEBI_140258 3_STAR
CHEBI:140260 biolink:ChemicalSubstance (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoate A hydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoate|17-HDHA(1-)|17-HDoHE(1-) http://purl.obolibrary.org/obo/CHEBI_140260 3_STAR
CHEBI:140262 biolink:ChemicalSubstance 16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid A docosanoid that is 17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid in which a glutathionyl group is attached at position 16S via a sulfide linkage. An intermediate of specialised proresolving mediators. PMID:25713027 phenio.json 16-glutathionyl-17-hydroxy-4Z,7Z,10,12,14,19Z-docosahexaenoic acid|L-gamma-glutamyl-S-[(3Z,6R,7S,15Z,18Z)-21-carboxy-6-hydroxyhenicosa-3,8,10,12,15,18-hexaen-7-yl]-L-cysteinylglycine|PCTR1|protectin conjugate in tissue regeneration 1 http://purl.obolibrary.org/obo/CHEBI_140262 3_STAR
CHEBI:140263 biolink:ChemicalSubstance 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid A docosanoid that is 17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid in which a cysteinylglycinyl group is attached at position 16S via a sulfide linkage. An intermediate of specialized proresolving mediators PMID:25713027 phenio.json 16-cysteinylglycinyl,17-hydroxy-4Z,7Z,10,12,14,19Z-docosahexaenoic acid|PCTR2|S-[(3Z,6R,7S,15Z,18Z)-21-carboxy-6-hydroxyhenicosa-3,8,10,12,15,18-hexaen-7-yl]-L-cysteinylglycine|protectin conjugate in tissue regeneration 2 http://purl.obolibrary.org/obo/CHEBI_140263 3_STAR
CHEBI:140264 biolink:ChemicalSubstance 16(S)-cystein-S-yl,17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid A docosanoid that is 17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid in which a glycinyl group is attached at position 16S via a sulfide linkage. An intermediate of specialised proresolving mediators PMID:25713027 phenio.json (4Z,7Z,16S,17R,19Z)-16-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-17-hydroxydocosa-4,7,10,12,14,19-hexaenoic acid|16-cysteinyl,17-hydroxy-4Z,7Z,16S,17R,19Z-docosahexaenoic acid|PCTR3|protectin conjugate in tissue regeneration 3 http://purl.obolibrary.org/obo/CHEBI_140264 3_STAR
CHEBI:140265 biolink:ChemicalSubstance (10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoic acid A dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,11E,13E,15Z,19Z)-docosapentaenoic acid in which the hydrogens at the 10 pro-R and 17 pro-S positions have been replaced by hydroxy groups. It is an intermediate of specialized proresolving mediators. PMID:23736886|PMID:24576195|PMID:28356517|PMID:28408222|PMID:28602942|Reaxys:27066730 phenio.json (7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-7,11,13,15,19-pentaenoic acid|(7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosapentaenoic acid|(PD)1n-3 DPA|10(R),17(S)-dihydroxy-omega3-docosapentaenoic acid|PD1n-3 DPA|protectin D1n-3 DPA http://purl.obolibrary.org/obo/CHEBI_140265 3_STAR
CHEBI:140266 biolink:ChemicalSubstance 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid A dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,10Z,13E,14E,19Z)-docosapentaenoic acid carrying two hydroxy substituents at the 16 and 17-S positions. It is an intermediate of specialised proresolving mediators. PMID:23736886|PMID:28408222|Reaxys:31878852 phenio.json (7Z,10Z,12E,14E,17S,19Z)-16,17-dihydroxydocosa-7,10,12,14,19-pentaenoic acid|(7Z,10Z,12E,14E,17S,19Z)-16,17-dihydroxydocosapentaenoic acid|(PD)2n-3 DPA|16,17(S)-dihydroxy-7Z,10Z,13E,14E,19Z-docosapentaenoic acid|16,17(S)-dihydroxy-omega3-docosapentaenoic acid|PD2n-3 DPA|protectin D2n-3 DPA http://purl.obolibrary.org/obo/CHEBI_140266 3_STAR
CHEBI:140267 biolink:ChemicalSubstance prostaglandin J3 A member of the class of prostaglandins J that is (5Z,9Z,13E,17Z)-prostatetraenoic acid carrying hydroxy and oxo substituents at positions 11 and 15 respectively. An intermediate of specialised proresolving mediators LIPID_MAPS_instance:LMFA03010180|PMID:22442337|PMID:26339618|Pubchem:16061112 phenio.json (5Z)-7-{(1S,5R)-5-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-4-oxocyclopent-2-en-1-yl}hept-5-enoic acid|(5Z,9Z,13E,15S,17Z)-15-hydroxy-11-oxoprostatetraenoic acid|15S-hydroxy-11-oxo-5Z,9Z,13E,17Z-prostatetraenoic acid|PGJ3 http://purl.obolibrary.org/obo/CHEBI_140267 3_STAR
CHEBI:140268 biolink:ChemicalSubstance (8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid A docosanoid that is (7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid in which a glutathionyl group is attached at position 8S via a sulfide linkage. An intermediate of specialised proresolving mediators. PMID:25713027 phenio.json 8-glutathionyl-7,17-dihydroxydocosahexaenoic acid|L-gamma-glutamyl-S-[(3Z,6R,7S,12Z,14E,16S,18Z)-1-carboxy-6,16-dihydroxyhenicosa-3,8,10,12,14,18-hexaen-7-yl]-L-cysteinylglycine|RCTR1|resolvin conjugate in tissue regeneration 1 http://purl.obolibrary.org/obo/CHEBI_140268 3_STAR
CHEBI:140269 biolink:ChemicalSubstance (8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid A docosanoid that is (7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid in which a cysteinylglycinyl group is attached at position 8S via a sulfide linkage. An intermediate of specialised proresolving mediators. phenio.json 8-cysteinylglycinyl-7,17-dihydroxydocosahexaenoic acid|RCTR2|S-[(3Z,6R,7S,12Z,14E,16S,18Z)-1-carboxy-6,16-dihydroxyhenicosa-3,8,10,12,14,18-hexaen-7-yl]-L-cysteinylglycine|resolvin conjugate in tissue regeneration 2 http://purl.obolibrary.org/obo/CHEBI_140269 3_STAR
CHEBI:14027 biolink:ChemicalSubstance corydaline Beilstein:96972|CAS:518-69-4|KEGG:C15530|KNApSAcK:C00026115 phenio.json (+)-Corydaline|(13S,13aR)-2,3,9,10-tetramethoxy-13-methyl-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline|2,3,9,10-tetramethoxy-13beta-methyl-13abeta-berbine|corydaline http://purl.obolibrary.org/obo/CHEBI_14027 3_STAR
CHEBI:140270 biolink:ChemicalSubstance (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid A docosanoid that is (7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid in which a cysteinyl group is attached at position 8S via a sulfide linkage. An intermediate of specialised proresolving mediators. PMID:25713027 phenio.json (4Z,7R,8S,13Z,15E,17S,19Z)-8-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-7,17-dihydroxydocosa-4,9,11,13,15,19-hexaenoic acid|8-cysteinyl-7,17-dihydroxydocosahexaenoic acid|RCTR3|resolvin conjugate in tissue regeneration 3 http://purl.obolibrary.org/obo/CHEBI_140270 3_STAR
CHEBI:140271 biolink:ChemicalSubstance (7S,8,17S)-trihydroxy-(15E,19Z)-docosa-9,11,13,15,19-pentaenoic acid A docosanoid that is (15E,19Z)-docosa-9,11,13,15,19-pentaenoic acid carrying three hydroxy substituents at positions 7S, 8 and 17S. An intermediate of specialised proresolving mediators PMID:23736886|PMID:28356517|PMID:28408222|PMID:28887458 phenio.json (7S,15E,17S,19Z)-7,8,17-trihydroxydocosa-9,11,13,15,19-pentaenoic acid|(7S,8,17S)-trihydroxy-(9,11,13,15E,19Z)-docosapentaenoic acid|7,8,17-trihydroxy-omega3-docosapentaenoic acid|RvD1n-3 DPA|resolvin D1n-3 DPA http://purl.obolibrary.org/obo/CHEBI_140271 3_STAR
CHEBI:140272 biolink:ChemicalSubstance 7,16,17-trihydroxy-(14E,19Z)-docosa-8,10,12,14,19-pentaenoic acid A docosanoid that is (14E,19Z)-docosa-8,10,12,14,19-pentaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17. An intermediate of specialised proresolving mediators PMID:23736886|PMID:28356517|PMID:28408222 phenio.json (14E,19Z)-7,16,17-trihydroxydocosa-8,10,12,14,19-pentaenoic acid|7,16,17-trihydroxy-(8,10,12,14E,19Z)-docosapentaenoic acid|7,16,17-trihydroxy-omega3-docosapentaenoic acid|RvD2n-3 DPA|resolvin D2n-3 DPA http://purl.obolibrary.org/obo/CHEBI_140272 3_STAR
CHEBI:140273 biolink:ChemicalSubstance 7,17-dihydroxy-(8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoic acid A dihydroxydocosapentaenoic acid (DiHDPE) that is (8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoic acid carrying two hydroxy substituents at positions 7 and 17. An intermediate of specialized proresolving mediators PMID:23736886|PMID:28408222 phenio.json (8Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid|7,17-dihydroxy-(8Z,10,13,15E,19Z)-docosapentaenoic acid|7,17-dihydroxy-omega3-docosapentaenoic acid|RvD5n-3 DPA|resolvin D5n-3 DPA http://purl.obolibrary.org/obo/CHEBI_140273 3_STAR
CHEBI:140274 biolink:ChemicalSubstance Delta(12)-prostaglandin J3 A member of the class of prostaglandins J that is (5Z,9Z,12E,17Z)-prostatetraenoic acid carrying hydroxy and oxo substituents at positions 11 and 15 respectively. An intermediate of specialised proresolving mediators and potent anti-leukemic agent. PMID:21967980|PMID:22194393|PMID:22442337|PMID:24312486|PMID:25098181|PMID:26290393|PMID:26339618|PMID:27187634|Reaxys:29567731 phenio.json (5Z)-7-{(1S,5E)-5-[(3S,5Z)-3-hydroxyoct-5-en-1-ylidene]-4-oxocyclopent-2-en-1-yl}hept-5-enoic acid|(5Z,9Z,12E,15S,17Z)-15-hydroxy-11-oxoprostatetraenoic acid|Delta(12)-prostaglandin J3|delta(12)-PGJ3|delta(12)-prostaglandin J3|delta-12-PGJ3 http://purl.obolibrary.org/obo/CHEBI_140274 3_STAR
CHEBI:140275 biolink:ChemicalSubstance 2alpha,3alpha-dihydroxy-ent-isokaurene An ent-kaurane diterpenoid in which the ent-kaurane skeleton has a double bond at C-15 and carries two alpha-configured hydroxy groups at C-2 and C-3. MetaCyc:CPD-20322|PMID:21985968|PMID:25758958 phenio.json ent-isokaurene-2beta,3beta-diol http://purl.obolibrary.org/obo/CHEBI_140275 3_STAR
CHEBI:140277 biolink:ChemicalSubstance 5-hydroxyanthocyanidin Any anthocyanidin cation that carries a hydroxy substituent at position 5. phenio.json 5-hydroxyanthocyanidin cation|5-hydroxyanthocyanidin cations|a 5-hydroxy anthocyanidin http://purl.obolibrary.org/obo/CHEBI_140277 3_STAR
CHEBI:140278 biolink:ChemicalSubstance 5-hydroxyanthocyanin O-beta-D-glucoside An anthocyanin cation that is any 5-hydroxyanthocyanidin in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue. phenio.json 5-hydroxyanthocyanin O-beta-D-glucosides|5-hydroxyanthocyanin beta-D-glucoside|5-hydroxyanthocyanin beta-D-glucosides|an anthocyanin 5-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_140278 3_STAR
CHEBI:140279 biolink:ChemicalSubstance (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoate A docosanoid anion that is the conjugate base of (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-4,8,10,12,16,19-hexaenoate|14(S)-HpDHA(1-) http://purl.obolibrary.org/obo/CHEBI_140279 3_STAR
CHEBI:140283 biolink:ChemicalSubstance 15-deoxy-Delta(12,14)-prostaglandin J3(1-) A prostaglandin carboxylic acid anion that is the conjugate base of 15-deoxy-Delta(12,14)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (5Z)-7-{(1S,5E)-5-[(2E,5Z)-octa-2,5-dien-1-ylidene]-4-oxocyclopent-2-en-1-yl}hept-5-enoate|(5Z,12E,14E,17Z)-11-oxoprosta-5,9,12,14,17-pentaen-1-oate|15-deoxy-delta(12,14)-prostaglandin J3(1-)|15-deoxyprostaglandin J3(1-)|15d-PGJ3(1-) http://purl.obolibrary.org/obo/CHEBI_140283 3_STAR
CHEBI:140284 biolink:ChemicalSubstance deoxyribonucleotide(1-) residue An organic anionic group obtained by deprotonation of the phosphate OH group of any deoxyribonucleotide residue; major species at pH 7.3. phenio.json a deoxyribonucleotide residue http://purl.obolibrary.org/obo/CHEBI_140284 3_STAR
CHEBI:140285 biolink:ChemicalSubstance prostaglandin J3(1-) A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (5Z)-7-{(1S,5R)-5-[(1E,3S,5Z)-3-hydroxyocta-1,5-dien-1-yl]-4-oxocyclopent-2-en-1-yl}hept-5-enoate|(5Z,9Z,13E,15S,17Z)-hydroxy-11-oxoprostatetraenoate|PGJ3(1-) http://purl.obolibrary.org/obo/CHEBI_140285 3_STAR
CHEBI:140288 biolink:ChemicalSubstance Delta(12)-prostaglandin J3(1-) A prostaglandin carboxylic acid anion that is the conjugate base of Delta(12)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (5Z)-7-{(1S,5E)-5-[(3S,5Z)-3-hydroxyoct-5-en-1-ylidene]-4-oxocyclopent-2-en-1-yl}hept-5-enoate|(5Z,9Z,12E,15S,17Z)-15-hydroxy-11-oxoprostatetraenoate|Delta(12)-prostaglandin J3(1-)|delta(12)-PGJ3(1-)|delta(12)-prostaglandin J3(1-)|delta-12-PGJ3(1-) http://purl.obolibrary.org/obo/CHEBI_140288 3_STAR
CHEBI:140289 biolink:ChemicalSubstance (7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosapentaenoate A (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoate in which the chiral centre at position 14 has S-configuration. phenio.json (14S)-hydroperoxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoate|(7Z,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-7,10,12,16,19-pentaenoate|14(S)-HPDoPE(n-3)(1-)|14(S)-HpDPA(n-3)(1-)|14(S)-hydroperoxy-omega-3-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140289 3_STAR
CHEBI:140290 biolink:ChemicalSubstance (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosapentaenoate A (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate in which the chiral centres at positions 16 and 17 both have S-configuration. An intermediate of specialised proresolving mediators phenio.json (16S,17S)-epoxy-(7Z,10Z,12E,14E,19Z)-docosa-7,10,12,14,19-pentaenoate|(7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-7,10,12,14-tetraenoate|16(S),17(S)-epoxy-DPA(n-3)(1-)|16(S),17(S)-epoxy-omega-3-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140290 3_STAR
CHEBI:140291 biolink:ChemicalSubstance (7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosapentaenoate A (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoate in which the chiral centre at position 17 has S-configuration. An intermediate of specialised proresolving mediators. phenio.json (7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-7,10,13,15,19-pentaenoate|17(S)-HpDPA(n-3)(1-)|17(S)-HpDoPE(n-3)(1-)|17(S)-hydroperoxy-omega-3-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140291 3_STAR
CHEBI:140293 biolink:ChemicalSubstance 7,8-epoxy,17-hydroxy-(9E,11E,13Z,15E,19Z)-docosapentaenoate A docosanoid anion that is the conjugate base of 7,8-epoxy,17-hydroxy-(9E,11E,13Z,15E,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (9E,11E,13Z,15E,19Z)-7,8-epoxy,17-hydroxydocosapentaenate|6-{3-[(1E,3E,5Z,7E,11Z)-9-hydroxytetradeca-1,3,5,7,11-pentaen-1-yl]oxiran-2-yl}hexanoate|7,8-epoxy,17-HDPA(n-3)(1-)|7,8-epoxy,17-hydroxy-omega-3-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140293 3_STAR
CHEBI:140296 biolink:ChemicalSubstance quinaprilat A dicarboxylic acid resulting from the hydrolysis of the ethyl ester group of quinapril to give the corresponding dicarboxylic acid. The active angiotensin-converting enzyme inhibitor (ACE inhibitor) of the prodrug quinapril. CAS:82768-85-2|Chemspider:97106|HMDB:HMDB0042005|KEGG:C21540|KEGG:D03773|PMID:11300367|PMID:11422007|PMID:11824807|PMID:12698173|PMID:12808303|PMID:15223904|PMID:19016233|PMID:19135197|PMID:19761414|PMID:21083190|PMID:24175935|PMID:9336392|Reaxys:5653070|Wikipedia:Quinaprilat phenio.json (3S)-2-{N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid|CI 928|CI-928|CI928|CL-928|quinaprilat|quinaprilate|quinaprilatum http://purl.obolibrary.org/obo/CHEBI_140296 3_STAR
CHEBI:14030 biolink:ChemicalSubstance crepenynate A long-chain fatty acid anion and the conjugate base of crepenynic acid, arising from deprotonation of the carboxylic acid group. KEGG:C07289 phenio.json (9Z)-Octadec-9-en-12-ynoate|(9Z)-octadec-9-en-12-ynoate|(Z)-9-octadecen-12-ynoate|Crepenynate|cis-9-octadecen-12-ynoate|crepenynate http://purl.obolibrary.org/obo/CHEBI_14030 3_STAR
CHEBI:140301 biolink:ChemicalSubstance 7-hydroxyisoflavones 7-O-beta-D-glucoside A glycosyloxyisoflavone that is any 7-hydroxyisoflavone compound in which the 7-hydroxy group has been converted into its corresponding O-beta-D-glucoside. phenio.json a 7-hydroxyisoflavone 7-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_140301 3_STAR
CHEBI:140302 biolink:ChemicalSubstance beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucoside Any beta-D-glucoside derived from beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucose MetaCyc:D-GALACTOSYL-13-BETA-D-GALACTOSYL-14-B phenio.json a beta-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosaminyl derivative|beta-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-OR http://purl.obolibrary.org/obo/CHEBI_140302 3_STAR
CHEBI:140303 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-beta-D-glucoside Any glycoside derived from beta-D-galactosyl-(1->4)-beta-D-glucose. MetaCyc:beta-Gal-14-beta-Glc-R phenio.json a beta-D-galactosyl-(1->4)-beta-D-glucosyl derivative|beta-D-Gal-(1->4)-beta-D-Glc-OR http://purl.obolibrary.org/obo/CHEBI_140303 3_STAR
CHEBI:140304 biolink:ChemicalSubstance beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminide Any glycoside derived from beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosamine MetaCyc:Lewis-a-epitope phenio.json a beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl derivative|beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-OR http://purl.obolibrary.org/obo/CHEBI_140304 3_STAR
CHEBI:140305 biolink:ChemicalSubstance genistein 7-O-beta-D-glucoside(1-) A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of genistein 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). phenio.json 7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-5-olate|genistein 7-O-beta-D-glucoside|genistein 7-beta-D-glucoside(1-)|genistein 7-beta-glucoside(1-)|genistin(1-) http://purl.obolibrary.org/obo/CHEBI_140305 3_STAR
CHEBI:140308 biolink:ChemicalSubstance alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside(1-) An N-acetylneuraminate that is the conjugate base of any alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside, obtained by deprotonation of the carboxy group; major species at pH 7.3. MetaCyc:ALPHA-N-ACETYLNEURAMINYL-23-ETCETERA phenio.json alpha-Neu5Ac-(2->3)-beta-D-Gal-OR(1-)|an N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl derivative http://purl.obolibrary.org/obo/CHEBI_140308 3_STAR
CHEBI:140309 biolink:ChemicalSubstance alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside(2-) An N-acetylneuraminate obtained by deprotonation of the carboxy groups of any alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside; major species at pH 7.3. MetaCyc:ALPHA-N-ACETYLNEURAMINYL-28-ETCETERA phenio.json alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-OR(2-)|an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl derivative http://purl.obolibrary.org/obo/CHEBI_140309 3_STAR
CHEBI:140310 biolink:ChemicalSubstance phenyl acetates An acetate ester obtained by formal condensation of the carboxy group of acetic acid with the hydroxy group of any phenol. MetaCyc:Phenyl-Acetates phenio.json a phenyl acetate|phenyl acetate derivative|phenyl acetate derivatives http://purl.obolibrary.org/obo/CHEBI_140310 3_STAR
CHEBI:140311 biolink:ChemicalSubstance FMNH(.)(2-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of FMNH(.). Major microspecies at pH 7.3 phenio.json FMNH(.) http://purl.obolibrary.org/obo/CHEBI_140311 3_STAR
CHEBI:140312 biolink:ChemicalSubstance [beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-N-(beta-D-Asp)-L-Lys-D-Ala-D-Ala)]n polyanion A polyanionic polymer corresponding to the major form of [beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-N-(beta-D-Asp)-L-Lys-D-Ala-D-Ala)]n at pH 7.3. phenio.json [beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-N-(beta-D-Asp)-L-Lys-D-Ala-D-Ala)]n http://purl.obolibrary.org/obo/CHEBI_140312 3_STAR
CHEBI:140313 biolink:ChemicalSubstance (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoate A docosanoid anion that is the conjugate base of (16S,17S)-epoxy-(4Z,7Z,10Z,12E,14E,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (16S,17S)-epoxy-DHA(1-)|(16S,17S)-epoxydocosahexaenoate|(16S,17S)-epoxyprotectin(1-)|(4Z,7Z,10Z,12E,14E)-15-{(2S,3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,12,14-pentaenoate http://purl.obolibrary.org/obo/CHEBI_140313 3_STAR
CHEBI:140316 biolink:ChemicalSubstance (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoate An oxodocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosa-4,7,10,13,15,19-hexaenoate|17-oxo-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoate|17-oxo-DHA(1-)|17-oxodocosahexaenoate http://purl.obolibrary.org/obo/CHEBI_140316 3_STAR
CHEBI:140317 biolink:ChemicalSubstance phenyl sulfate oxoanion An aryl sulfate oxoanion obtained by deprotonation of the sulfo group of any phenyl sulfate; major species at pH 7.3. phenio.json an aryl sulfate|phenyl sulfate derivative|phenyl sulfate derivatives|phenyl sulfate oxoanions http://purl.obolibrary.org/obo/CHEBI_140317 3_STAR
CHEBI:140322 biolink:ChemicalSubstance triketone A compound that contains three ketone functionalities. phenio.json triketones http://purl.obolibrary.org/obo/CHEBI_140322 3_STAR
CHEBI:140323 biolink:ChemicalSubstance beta-triketone A triketone in which the each ketone functionality is located beta- to the other two. phenio.json beta-triketones http://purl.obolibrary.org/obo/CHEBI_140323 3_STAR
CHEBI:140324 biolink:ChemicalSubstance primary carboxamide A carboxamide resulting from the formal condensation of a carboxylic acid with ammonia; formula RC(=O)NH2. phenio.json primary carboxamides http://purl.obolibrary.org/obo/CHEBI_140324 3_STAR
CHEBI:140325 biolink:ChemicalSubstance secondary carboxamide A carboxamide resulting from the formal condensation of a carboxylic acid with a primary amine; formula RC(=O)NHR(1). phenio.json secondary carboxamides http://purl.obolibrary.org/obo/CHEBI_140325 3_STAR
CHEBI:140326 biolink:ChemicalSubstance tertiary carboxamide A carboxamide resulting from the formal condensation of a carboxylic acid with a secondary amine; formula RC(=O)NHR(1)R(2). phenio.json tertiary carboxamides http://purl.obolibrary.org/obo/CHEBI_140326 3_STAR
CHEBI:140327 biolink:ChemicalSubstance alpha-L-fucosyl-(1->2)-beta-D-galactoside Any beta-D-galactoside derived from alpha-L-fucosyl-(1->2)-beta-D-galactose. MetaCyc:H-antigen phenio.json alpha-L-Fuc-(1->2)-beta-D-Gal-OR|an alpha-L-fucosyl-(1->2)-beta-D-galactosyl derivative http://purl.obolibrary.org/obo/CHEBI_140327 3_STAR
CHEBI:140328 biolink:ChemicalSubstance alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactoside Any beta-D-galactoside derived from alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactose. MetaCyc:B-antigen phenio.json alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-OR|an alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl derivative http://purl.obolibrary.org/obo/CHEBI_140328 3_STAR
CHEBI:140331 biolink:ChemicalSubstance 4'-hydroxyflavanones Any hydroxyflavanone having a hydroxy substituent located at position 4'. MetaCyc:4-Hydroxyflavanones phenio.json a 4'-hydroxyflavanone http://purl.obolibrary.org/obo/CHEBI_140331 3_STAR
CHEBI:140332 biolink:ChemicalSubstance 4'-methoxyflavanones Any methoxyflavanone having a methoxy substituent located at position 4'. MetaCyc:4-Methoxyflavanones phenio.json 2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one|a 4'-methoxyflavanone http://purl.obolibrary.org/obo/CHEBI_140332 3_STAR
CHEBI:140333 biolink:ChemicalSubstance (7Z,10Z,13Z,15E,19Z)-17-oxodocosapentaenoate A docosanoid anion that is the conjugate base of (7Z,10Z,13Z,15E,19Z)-17-oxodocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (7Z,10Z,13Z,15E,19Z)-17-oxodocosa-7,10,13,15,19-pentaenoate|17-oxo-(7Z,10Z,13Z,15E,19Z)-docosapentaenoate|17-oxo-DPA(n-3)(1-)|17-oxo-omega3-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140333 3_STAR
CHEBI:140335 biolink:ChemicalSubstance glucuronoxylan D-glucuronate polyanion A polyanionic polymer obtained by deprotonation of the carboxy groups of glucuronoxylan D-glucuronate. Major microspecies at pH 7.3 PMID:23045523 phenio.json glucuronoxylan D-glucuronate http://purl.obolibrary.org/obo/CHEBI_140335 3_STAR
CHEBI:140336 biolink:ChemicalSubstance glucuronoxylan 4-O-methyl-D-glucuronate polyanion A polyanionic polymer obtained by deprotonation of the carboxy groups of glucuronoxylan 4-O-methyl-D-glucuronate. Major microspecies at pH 7.3 phenio.json glucuronoxylan 4-O-methyl-D-glucuronate http://purl.obolibrary.org/obo/CHEBI_140336 3_STAR
CHEBI:140337 biolink:ChemicalSubstance (6E,8Z,11Z,14Z,17Z)-5-oxoicosapentaenoate An icosanoid anion that is the conjugate base of (6E,8Z,11Z,14Z,17Z)-5-oxoicosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (6E,8Z,11Z,14Z,17Z)-5-oxoeicosapentaenoate|5-oxo-(6E,8Z,11Z,14Z,17Z)-eicosapentaenoate|5-oxo-(6E,8Z,11Z,14Z,17Z)-icosapentaenoate|5-oxo-EPA(1-)|5-oxo-EPE(1-)|5-oxoeicosapentaenoate|5-oxoicosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140337 3_STAR
CHEBI:140345 biolink:ChemicalSubstance hydroxy polyunsaturated fatty acid Any polyunsaturated fatty acid carrying one or more hydroxy substituents. phenio.json http://purl.obolibrary.org/obo/CHEBI_140345 3_STAR
CHEBI:140346 biolink:ChemicalSubstance 17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoate A docosanoid anion that is the conjugate base of 17R,(16)-epoxy-(4Z,7Z,10Z,13Z,19Z)-docosahexa-4,7,10,13,15,19-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,7Z,10Z,13Z)-15-{(3R)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-ylidene}pentadeca-4,7,10,13-tetraenoate|17R,(16)-epoxy-DHA(1-) http://purl.obolibrary.org/obo/CHEBI_140346 3_STAR
CHEBI:140347 biolink:ChemicalSubstance substituted beta-amino acid zwitterion An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any substituted beta-amino acid; major species at pH 7.3. phenio.json a substituted beta-amino acid http://purl.obolibrary.org/obo/CHEBI_140347 3_STAR
CHEBI:140348 biolink:ChemicalSubstance 22-hydroxyprotectin D1(1-) A docosanoid anion that is the conjugate base of 22-hydroxyprotectin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17,22-trihydroxydocosa-4,7,11,13,15,19-hexaenoate|(4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17,22-trihydroxydocosahexaenoate|10(R),17(S),20-trihydroxydocosa-4Z,7Z,11E,13E,15Z,19Z-hexaenoate|22-OH-(N)PD1(1-)|22-OH-PD1(1-)|22-hydroxy-(neuro)protectin D1(1-)|22-hydroxyneuroprotectin D1(1-) http://purl.obolibrary.org/obo/CHEBI_140348 3_STAR
CHEBI:140349 biolink:ChemicalSubstance (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate A docosanoid anion that is the conjugate base of (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-bis(hydroperoxy)docosahexaenoate|(7S,17S)-dihydroperoxy-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate|7(S),17(S)-diHpDHA(1-)|7(S),17(S)-dihydroperoxydocosahexaenoate|7S,17S-diH(P)DHA(1-) http://purl.obolibrary.org/obo/CHEBI_140349 3_STAR
CHEBI:140350 biolink:ChemicalSubstance (7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoate A dihydroxydocosahexaenoate that is the conjugate base of (7S,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,7S,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoate|(4Z,7S,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosahexaenoate|(7S)-MaR1(1-)|(7S)-maresin 1(1-)|(7S,14S)-dihydroxydocosahexaenoate|7-epi-MaR1(1-)|7-epi-maresin 1(1-) http://purl.obolibrary.org/obo/CHEBI_140350 3_STAR
CHEBI:140351 biolink:ChemicalSubstance 3'-methoxyflavanones Any methoxyflavanone having a methoxy substituent located at position 3'. phenio.json a 3'-methoxyflavanone http://purl.obolibrary.org/obo/CHEBI_140351 3_STAR
CHEBI:140352 biolink:ChemicalSubstance resolvin D5(1-) A dihydroxydocosahexaenoate that is the conjugate base of resolvin D5, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:32404334 phenio.json (4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-4,8,10,13,15,19-hexaenoate|(4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosahexaenoate|(7S,17S)-dihydroxy-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate|7S,17S-diHDHA(1-)|7S,17S-dihydroxy-22:6n-3(1-)|RvD5(1-)|resolvin D5(1-) http://purl.obolibrary.org/obo/CHEBI_140352 3_STAR
CHEBI:140353 biolink:ChemicalSubstance phosphatidic acid 40:6 phenio.json PA 40:6|PA(40:6)|phosphatidic acid(40:6) http://purl.obolibrary.org/obo/CHEBI_140353 2_STAR
CHEBI:140354 biolink:ChemicalSubstance phosphatidic acid 38:4 phenio.json PA 38:4|PA(38:4)|phosphatidic acid(38:4) http://purl.obolibrary.org/obo/CHEBI_140354 2_STAR
CHEBI:140356 biolink:ChemicalSubstance 7-methoxyisoflavones Any methoxyisoflavone that has a methoxy group at the 7-position of the isoflavone moiety. phenio.json a 7-methoxyisoflavone http://purl.obolibrary.org/obo/CHEBI_140356 3_STAR
CHEBI:140357 biolink:ChemicalSubstance N(4)-[alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue An N(4)-glycosylated L-asparagine residue that is a representation of high mannose glucans. phenio.json N(4)-[alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue http://purl.obolibrary.org/obo/CHEBI_140357 3_STAR
CHEBI:140358 biolink:ChemicalSubstance monosaccharide 1-phosphate(2-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of any monosaccharide 1-phosphate.This compound class represents generic and unspecified sugar 1-phosphates. MetaCyc:Sugar-1-Phosphate phenio.json a monosaccharide 1-phosphate|monosaccharide 1-monophosphate(2-)|sugar 1-monophosphate(2-) http://purl.obolibrary.org/obo/CHEBI_140358 3_STAR
CHEBI:140359 biolink:ChemicalSubstance UDP-monosaccharide(2-) A nucleotide-sugar oxoanion obtained by deprotonation of the phosphate OH groups of any UDP-monosaccharide. This compound class represents generic and unspecified UDP-sugars. MetaCyc:UDP-sugar phenio.json UDP-sugar(2-)|a UDP-monosaccharide http://purl.obolibrary.org/obo/CHEBI_140359 3_STAR
CHEBI:140362 biolink:ChemicalSubstance phosphatidylinositol 38:3 phenio.json PI 38:3|PI(38:3)|phosphatidylinositol(38:3) http://purl.obolibrary.org/obo/CHEBI_140362 2_STAR
CHEBI:140369 biolink:ChemicalSubstance N(4)-[6-(N-acetyl-alpha-D-glucosaminyl-1-phospho)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue(1-) An anionic amino-acid residue residue that is a representation of high mannose glucans. phenio.json N(4)-[6-(N-acetyl-alpha-D-glucosaminyl-1-phospho)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue http://purl.obolibrary.org/obo/CHEBI_140369 3_STAR
CHEBI:140371 biolink:ChemicalSubstance N(4)-[6-phospho-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue An N(4)-glycosylated L-asparagine residue that is a representation of high mannose glucans, but it is not known exactly which high mannose glucan is modified, (see EC 2.7.8.17 and EC 3.1.4.45) phenio.json N(4)-[6-phospho-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-glycan]-L-asparagine residue http://purl.obolibrary.org/obo/CHEBI_140371 3_STAR
CHEBI:140372 biolink:ChemicalSubstance 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate(13-) An inositol phosphate oxoanion obtained by deprotonation of all but one of the phosphate and diphosphate OH groups of 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). MetaCyc:CPD-11939|PMID:18981179 phenio.json 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate http://purl.obolibrary.org/obo/CHEBI_140372 3_STAR
CHEBI:140373 biolink:ChemicalSubstance (4Z,8E,10Z,13Z,16Z,19Z)-7-hydroxydocosahexaenoate A hydroxydocosahexaenoate that is the conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-hydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,8E,10Z,13Z,16Z,19Z)-7-hydroxydocosa-4,8,10,13,16,19-hexaenoate|7-HDHA(1-)|7-HDoHE(1-)|7-hydroxy-(4Z,8E,10Z,13Z,16Z,19Z)-docosahexaenoate|7-hydroxydocosahexaenoate http://purl.obolibrary.org/obo/CHEBI_140373 3_STAR
CHEBI:140374 biolink:ChemicalSubstance 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate(13-) An inositol phosphate oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate. It is the major microspecies at pH 7.3. MetaCyc:CPD-11937|PMID:18981179 phenio.json 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate http://purl.obolibrary.org/obo/CHEBI_140374 3_STAR
CHEBI:140375 biolink:ChemicalSubstance (8E,10Z,13Z,16Z,19Z)-7-hydroxydocosapentaenoate A hydroxydocosahexaenoate that is the conjugate base of (8E,10Z,13Z,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (8E,10Z,13Z,16Z,19Z)-7-hydroxydocosa-8,10,13,16,19-pentaenoate|7-HDPA(n-3)(1-)|7-HDPAn-3(1-)|7-HDoPE(n-3)(1-)|7-hydroxy-(8E,10Z,13Z,16Z,19Z)-docosapentaenoate|7-hydroxy-omega3-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140375 3_STAR
CHEBI:140377 biolink:ChemicalSubstance (2S)-flavan-4-one Any flavanone in which the chiral centre at position 2 has S-configuration. MetaCyc:2S-Flavanones phenio.json (2S)-flavan-4-ones|(2S)-flavanone|(2S)-flavanones|a (2S)-flavan-4-one http://purl.obolibrary.org/obo/CHEBI_140377 3_STAR
CHEBI:140379 biolink:ChemicalSubstance an aldopyranose Any aldose having undefined stereochemistry. A representative structure is provided. phenio.json an aldopyranose http://purl.obolibrary.org/obo/CHEBI_140379 2_STAR
CHEBI:140380 biolink:ChemicalSubstance an aldono-1,5-lactone Any aldono-1,5-lactone having undefined stereochemistry. A representative structure is provided. phenio.json aldono-1,5-lactone http://purl.obolibrary.org/obo/CHEBI_140380 2_STAR
CHEBI:140381 biolink:ChemicalSubstance (8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosapentaenoate A hydroperoxydocosapentaenoate that is the conjugate base of (8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosa-8,10,13,15,19-pentaenoate|7,17-DHpDPE(n-3)(1-)|7,17-bis(hydroperoxy)-(8E,10Z,13Z,15E,19Z)-docosapentaenoate|7,17-diHp-DPAn-3(1-)|7,17-diHpDPA(n-3)(1-)|7,17-dihydroperoxy-omega3-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140381 3_STAR
CHEBI:140382 biolink:ChemicalSubstance (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoate An oxodocosahexaenoate that is the conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (4Z,8E,10Z,13Z,16Z,19Z)-7-ketodocosahexaenoate|(4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosa-4,8,10,13,16,19-hexaenoate|7-oxo-(4Z,8E,10Z,13Z,16Z,19Z)-docosahexaenoate|7-oxo-DHA(1-)|7-oxodocosahexaenoate http://purl.obolibrary.org/obo/CHEBI_140382 3_STAR
CHEBI:140386 biolink:ChemicalSubstance (8E,10Z,13Z,16Z,19Z)-7-oxodocosapentaenoate A docosanoid anion that is the conjugate base of (8E,10Z,13Z,16Z,19Z)-7-oxodocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (8E,10Z,13Z,16Z,19Z)-7-oxodocosa-8,10,13,16,19-pentaenoate|7-oxo-(8E,10Z,13Z,16Z,19Z)-docosapentaenoate|7-oxo-DPA(n-3)(1-)|7-oxo-DPAn-3(1-)|7-oxo-omega3-docosapentaenoate http://purl.obolibrary.org/obo/CHEBI_140386 3_STAR
CHEBI:140387 biolink:ChemicalSubstance 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoate A docosanoid anion that is the conjugate base of 13,14(S)-dihydroxy-(7Z,9E,11E,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (7Z,9E,11E,14S,16Z,19Z)-13,14-dihydroxydocosa-7,9,11,16,19-pentaenoate|(7Z,9E,11E,14S,16Z,19Z)-13,14-dihydroxydocosapentaenoate|13,14(S)-dihydroxy-omega3-docosapentaenoate|MaR2n-3 DPA(1-) http://purl.obolibrary.org/obo/CHEBI_140387 3_STAR
CHEBI:140389 biolink:ChemicalSubstance (7R,14S)-dihydroxy-(8E,10E,12Z,16Z,19Z)-docosapentaenoate A docosanoid anion that is the conjugate base of (7R,14S)-dihydroxy-(8E,10E,12Z,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosa-8,10,12,16,19-pentaenoate|(7R,8E,10E,12Z,14S,16Z,19Z)-7,14-dihydroxydocosapentaenoate|7(R),14(S)-dihydroxy-omega3-docosapentaenoate|MaR1n-3 DPA(1-) http://purl.obolibrary.org/obo/CHEBI_140389 3_STAR
CHEBI:140392 biolink:ChemicalSubstance (3R)-3-hydroxybutanoic acid oligomer An oligomer consisting of units of (3R)-3-hydroxybutanoic acid joined by esterification of the carboxy group of one unit with the 3-hydroxy group of the next. PMID:28355070 phenio.json (3R)-3-hydroxybutyric acid oligomer|(R)-3-hydroxybutanoic acid oligomer|(R)-3-hydroxybutyric acid oligomer http://purl.obolibrary.org/obo/CHEBI_140392 3_STAR
CHEBI:140393 biolink:ChemicalSubstance 14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoate A docosanoid anion that is the conjugate base of 14(S),21-dihydroxy-(7Z,10Z,12E,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (7Z,10Z,12E,14S,16Z,19Z)-14,21-dihydroxydocosa-7,10,12,16,19-pentaenoate|(7Z,10Z,12E,14S,16Z,19Z)-14,21-dihydroxydocosapentaenoate|14(S),21-dihydroxy-omega3-docosapentaenoate|MaR3n-3 DPA(1-) http://purl.obolibrary.org/obo/CHEBI_140393 3_STAR
CHEBI:140394 biolink:ChemicalSubstance 16(S)-glutathionyl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(2-) A docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of 16(S)-glutathionyl,17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid; major species at pH 7.3. phenio.json 16-glutathionyl-17-hydroxy-4Z,7Z,10,12,14,19Z-docosahexaenoate(2-)|PCTR1(2-)|protectin conjugate in tissue regeneration 1(2-) http://purl.obolibrary.org/obo/CHEBI_140394 3_STAR
CHEBI:140395 biolink:ChemicalSubstance poly(nucleoside 5'-monophosphate) polyanion An ionic polymer obtained by deprotonation of the phosphate OH groups of any poly(nucleoside 5'-monophosphate). phenio.json (nucleoside 5'-monophosphate)n http://purl.obolibrary.org/obo/CHEBI_140395 3_STAR
CHEBI:140397 biolink:ChemicalSubstance 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(1-) A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the alpha-amino group of 16(S)-glycinylcystein-S-yl-17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid; major species at pH 7.3. phenio.json (4Z,7Z,16S,17R,19Z)-16-({(2R)-2-azaniumyl-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-17-hydroxydocosa-4,7,10,12,14,19-hexaenoate|16-cysteinylglycinyl,17-hydroxy-4Z,7Z,10,12,14,19Z-docosahexaenoate(1-)|PCTR2(1-)|protectin conjugate in tissue regeneration 2(1-) http://purl.obolibrary.org/obo/CHEBI_140397 3_STAR
CHEBI:140399 biolink:ChemicalSubstance specialised pro-resolving mediator A class of cell signaling molecules enzymatically derived from n-3 long chain polyunsaturated fatty acids that have important roles in orchestrating the resolution of tissue inflammation. Wikipedia:Specialized_pro-resolving_mediators phenio.json SPM|SPMs|specialised pro-resolving mediators|specialised proresolving mediator|specialised proresolving mediators|specialized pro-resolving mediator|specialized pro-resolving mediators|specialized proresolving mediator|specialized proresolving mediators http://purl.obolibrary.org/obo/CHEBI_140399 3_STAR
CHEBI:140401 biolink:ChemicalSubstance 16(S)-cystein-S-yl,17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoate(1-) phenio.json http://purl.obolibrary.org/obo/CHEBI_140401 1_STAR
CHEBI:140402 biolink:ChemicalSubstance tert-butyl ester A carboxylic ester resulting from the formal condensation of a carboxylic acid with tert-butanol. phenio.json 1,1-dimethylethyl ester|1,1-dimethylethyl esters|t-butyl ester|t-butyl esters|tert-butyl esters http://purl.obolibrary.org/obo/CHEBI_140402 3_STAR
CHEBI:140405 biolink:ChemicalSubstance (10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoate A docosanoid anion that is the conjugate base of (10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-7,11,13,15,19-pentaenoate|(7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosapentaenoate|(PD)1n-3 DPA(1-)|10(R),17(S)-dihydroxy-omega3-docosapentaenoate|PD1n-3 DPA(1-)|protectin D1n-3 DPA(1-) http://purl.obolibrary.org/obo/CHEBI_140405 3_STAR
CHEBI:140406 biolink:ChemicalSubstance 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoate A docosanoid anion that is the conjugate base of 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (7Z,10Z,12E,14E,17S,19Z)-16,17-dihydroxydocosa-7,10,12,14,19-pentaenoate|(7Z,10Z,12E,14E,17S,19Z)-16,17-dihydroxydocosapentaenoate|(PD)2n-3 DPA(1-)|16,17(S)-dihydroxy-7Z,10Z,13E,14E,19Z-docosapentaenoate|16,17(S)-dihydroxy-omega3-docosapentaenoate|PD2n-3 DPA(1-)|protectin D2n-3 DPA(1-) http://purl.obolibrary.org/obo/CHEBI_140406 3_STAR
CHEBI:140407 biolink:ChemicalSubstance ceftobiprole A fifth-generation cephalosporin antibiotic having (E)-[(3'R)-2-oxo[1,3'-bipyrrolidin]-3-ylidene]methyl and [(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino side groups located at positions 3 and 7 respectively; developed for the treatment of hospital-acquired pneumonia (HAP, excluding ventilator-associated pneumonia, VAP) and community-acquired pneumonia (CAP). CAS:209467-52-7|KEGG:D08885|PMCID:PMC5631058|PMID:25753637|PMID:26316697|PMID:26443816|PMID:28264613|PMID:29017833|PMID:29395713|PMID:29452992|Reaxys:9105776 phenio.json (6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-8-oxo-3-{(E)-[(3'R)-2-oxo[1,3'-bipyrrolidin]-3-ylidene]methyl}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-3-{(E)-[(3'R)-2-oxo[1,3'-bipyrrolidin]-3-ylidene]methyl}-3,4-didehydrocepham-4-carboxylic acid|ceftobiprol|ceftobiprole|ceftobiprolum http://purl.obolibrary.org/obo/CHEBI_140407 3_STAR
CHEBI:140409 biolink:ChemicalSubstance (8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(2-) A docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of (8S)-glutathionyl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3. phenio.json 8-glutathionyl-7,17-dihydroxydocosahexaenoate(2-)|RCTR1(2-)|resolvin conjugate in tissue regeneration 1(2-) http://purl.obolibrary.org/obo/CHEBI_140409 3_STAR
CHEBI:140412 biolink:ChemicalSubstance (8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1-) A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the alpha-amino group of (8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3. phenio.json (4Z,7R,8S,13Z,15E,17S,19Z)-8-({(2R)-2-azaniumyl-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-7,17-dihydroxydocosa-4,9,11,13,15,19-hexaenoate|8-cysteinylglycinyl-7,17-dihydroxydocosahexaenoate(1-)|RCTR2(1-)|resolvin conjugate in tissue regeneration 2(1-) http://purl.obolibrary.org/obo/CHEBI_140412 3_STAR
CHEBI:140413 biolink:ChemicalSubstance (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoate(1-) A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the alpha-amino group of (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3. phenio.json (4Z,7R,8S,13Z,15E,17S,19Z)-8-{[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanyl}-7,17-dihydroxydocosa-4,9,11,13,15,19-hexaenoate|8-cysteinyl-7,17-dihydroxydocosahexaenoate(1-)|RCTR3(1-)|resolvin conjugate in tissue regeneration 3(1-) http://purl.obolibrary.org/obo/CHEBI_140413 3_STAR
CHEBI:140415 biolink:ChemicalSubstance (7S,8,17S)-trihydroxy-(15E,19Z)-docosa-9,11,13,15,19-pentaenoate A docosanoid anion that is the conjugate base of (7S,8,17S)-trihydroxy-(15E,19Z)-docosa-9,11,13,15,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (7S,15E,17S,19Z)-7,8,17-trihydroxydocosa-9,11,13,15,19-pentaenoate|(7S,8,17S)-trihydroxy-(9,11,13,15E,19Z)-docosapentaenoate|7,8,17-trihydroxy-omega3-docosapentaenoate|RvD1n-3 DPA(1-)|resolvin D1n-3 DPA(1-) http://purl.obolibrary.org/obo/CHEBI_140415 3_STAR
CHEBI:140416 biolink:ChemicalSubstance 7,16,17-trihydroxy-(14E,19Z)-docosa-8,10,12,14,19-pentaenoate A docosanoid anion that is the conjugate base of 7,16,17-trihydroxy-(14E,19Z)-docosa-8,10,12,14,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json (14E,19Z)-7,16,17-trihydroxydocosa-8,10,12,14,19-pentaenoate|7,16,17-trihydroxy-(8,10,12,14E,19Z)-docosapentaenoate|7,16,17-trihydroxy-omega3-docosapentaenoate|RvD2n-3 DPA(1-)|resolvin D2n-3 DPA(1-) http://purl.obolibrary.org/obo/CHEBI_140416 3_STAR
CHEBI:140417 biolink:ChemicalSubstance ketotifen(1+) An ammonium ion resulting from the protonation of the tertiary amino group of ketotifen. phenio.json 1-methyl-4-(10-oxo-9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)piperidinium http://purl.obolibrary.org/obo/CHEBI_140417 3_STAR
CHEBI:140419 biolink:ChemicalSubstance 7,17-dihydroxy-(8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoate A docosanoid anion that is the conjugate base of 7,17-dihydroxy-(8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json 7,17-dihydroxy-(8Z,10,13,15E,19Z)-docosapentaenoate|7,17-dihydroxy-omega3-docosapentaenoate|RvD5n-3 DPA(1-)|resolvin D5n-3 DPA(1-) http://purl.obolibrary.org/obo/CHEBI_140419 3_STAR
CHEBI:140420 biolink:ChemicalSubstance eribaxaban A member of the class of pyrrolidines that is (2R,4R)-N(1)-(p-chlorophenyl)-4-methoxypyrrolidine-1,2-dicarboxamide in which the nitrogen of the 2-carbamoyl group has been substituted by a 2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl group. It is a synthetic organic anticoagulant compound that targets activated factor Xa in the coagulation cascade. CAS:536748-46-6|DrugBank:DB06920|KEGG:D08913|PDBeChem:230|PMID:17683371|PMID:18096830|PMID:18392334|PMID:19071881|PMID:23782955|PMID:26861270|PMID:27119575|PMID:28793291|Reaxys:12467251 phenio.json (2R,4R)-N(1)-(4-chlorophenyl)-N(2)-[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]-4-methoxypyrrolidine-1,2-dicarboxamide|PD 0348292|PD 348,292|PD 348292|PD-0348292|PD0348292|eribaxaban|eribaxabanum http://purl.obolibrary.org/obo/CHEBI_140420 3_STAR
CHEBI:140421 biolink:ChemicalSubstance betrixaban A secondary carboxamide obtained by formal condensation of the carboxy group of 4-(N,N-dimethylcarbamimidoyl)benzoic acid with the amino group of 2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide. A synthetic anticoagulant compound that targets activated factor Xa in the coagulation cascade. CAS:330942-05-7|KEGG:D08873|PMID:19297154|PMID:23964817|PMID:24344662|PMID:26170684|PMID:27232649|PMID:27809616|PMID:27824409|PMID:27881569|PMID:27974029|PMID:27974030|PMID:28032972|PMID:28032973|PMID:28193799|PMID:28267480|PMID:28294628|PMID:28617144|PMID:28698258|PMID:28743769|PMID:28808888|PMID:28840662|PMID:29092766|PMID:29119147|PMID:29171776|PMID:29188425|PMID:29212126|PMID:29226697|PMID:29279341|PMID:29294463|PMID:29338293|PMID:29386864|PMID:29434384|PMID:29503590|PMID:29543384|PMID:29594815|PMID:29609697|Reaxys:15486817 phenio.json N-(5-chloropyridin-2-yl)-2-[4-(N,N-dimethylcarbamimidoyl)benzamido]-5-methoxybenzamide|PRT 054021|PRT054021|betrixaban http://purl.obolibrary.org/obo/CHEBI_140421 3_STAR
CHEBI:140426 biolink:ChemicalSubstance 2,4,6-trichlorophenolate A phenolate anion resulting from the deprotonation of the phenolic hydroxy group of 2,4,6-trichlorophenol. MetaCyc:TRICHLOROPHENOL|PMID:8680829 phenio.json 2,4,6-trichlorophenol|2,4,6-trichlorophenolate http://purl.obolibrary.org/obo/CHEBI_140426 3_STAR
CHEBI:140427 biolink:ChemicalSubstance desirudin A heterodetic cyclic peptide composed of 65 amino acids joined in sequence and cyclised by three disulfide bridges between cysteine residues 6-14, 16-28 and 22-39. It is a highly specific inhibitor of thrombin and used as an anticoagulant in patients to prevent venous thromboembolism. Its amino acid sequence differs from natural hirudin by lack of sulfate group on Tyr-63. CAS:120993-53-5|Chemspider:16743713|Drug_Central:2990|KEGG:D03692|PMID:10598155|PMID:12090145|PMID:1710836|PMID:19915180|PMID:2057916|PMID:2096492|PMID:21045759|PMID:21646070|PMID:21932952|PMID:22672318|PMID:23344102|PMID:2363121|PMID:2688102|PMID:2749592|PMID:33774764|PMID:7504125|PMID:7589048|PMID:7719527|PMID:7831657|PMID:7979736|PMID:8329573|PMID:8409044|PMID:8596376|PMID:8684139|Patent:NZ248558 phenio.json 63-desulfohirudin (Hirudo medicinalis isoform HV1)|CGP 39393|CGP-39393|IK-HIR02|Iprivask|L-valyl-L-valyl-L-tyrosyl-L-threonyl-L-alpha-aspartyl-L-cysteinyl-L-threonyl-L-alpha-glutamyl-L-seryl-glycyl-L-glutaminyl-L-asparagyl-L-leucyl-L-cysteinyl-L-leucyl-L-cysteinyl-L-alpha-glutamyl-glycyl-L-seryl-L-asparagyl-L-valyl-L-cysteinyl-glycyl-L-glutaminyl-glycyl-L-asparagyl-L-lysyl-L-cysteinyl-L-isoleucyl-L-leucyl-glycyl-L-seryl-L-alpha-aspartyl-glycyl-L-alpha-glutamyl-L-lysyl-L-asparagyl-L-glutaminyl-L-cysteinyl-L-valyl-L-threonyl-glycyl-L-alpha-glutamyl-glycyl-L-threonyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-seryl-L-histidyl-L-asparagyl-L-alpha-aspartyl-glycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucyl-L-glutamine (6->14),(16->28),(22->39)-tris(disulfide)|Revasc|VVYTDCTESGQNLCLCEGSNVCGQGNKCILGSDGEKNQCVTGEGTPKPQSHNDGDFEEIPEEYLQ|VVYTDCTESGQNLCLCEGSNVCGQGNKCILGSDGEKNQCVTGEGTPKPQSHNDGDFEEIPEEYLQ (disulfide bridge: 6->14; 16->28; 22->39)|desirudin|desirudin recombinant|desirudina|desirudine|desirudinum|desulfatohirudin|desulphatohirudin|desulphatohirudin HV1 http://purl.obolibrary.org/obo/CHEBI_140427 3_STAR
CHEBI:140471 biolink:ChemicalSubstance triricinolein A triglyceride formed by acylation of the three hydroxy groups of glycerol with ricinoleic acid, ((9Z,12R)-12-hydroxydec-9-enoic acid). It is the main constituent of castor oil. AGR:IND44788222|AGR:IND44788223|CAS:2540-54-7|FooDB:FDB017272|HMDB:HMDB0038061|PMID:11800053|PMID:14733366|PMID:18643899|PMID:5867691|Reaxys:8608362|Wikipedia:Ricinolein phenio.json 1,2,3-tri-(12R-hydroxy-9Z-octadecenoyl)-glycerol|glyceryl triricinoleate|propane-1,2,3-triyl (9Z,12R,9'Z,12'R,9''Z,12''R)tris(12-hydroxyoctadec-9-enoate) http://purl.obolibrary.org/obo/CHEBI_140471 3_STAR
CHEBI:140472 biolink:ChemicalSubstance DuP-714 A hydrochloride resulting from the formal reaction of equimolar amounts of Ac-(D)Phe-Pro-boroArg-OH and hydrogen chloride. A thrombin (Factor IIa) inhibitor, thereby acting as an anticoagulant. CAS:130982-43-3|PMID:2211702|Reaxys:24504803 phenio.json Ac-(D)Phe-Pro-boroArg-OH.HCl|DUP-714|Dup 714|Dup-714|N-acetyl-D-phenylalanyl-N-[(1R)-1-borono-4-carbamimidamidobutyl]-L-prolinamide hydrochloride|N-acetyl-D-phenylalanyl-N-[(1R)-4-{[ammonio(imino)methyl]amino}-1-boronobutyl]-L-prolinamide chloride|acetylphenylalanyl-prolyl-boroarginine hydrochloride|{(1R)-1-[({(2S)-1-[(2R)-2-acetamido-3-phenylpropanoyl]pyrrolidin-2-yl}carbonyl)amino]-4-carbamimidamidobutyl}boronic acid hydrochloride http://purl.obolibrary.org/obo/CHEBI_140472 3_STAR
CHEBI:140489 biolink:ChemicalSubstance tropomyosin-related kinase B receptor agonist An agonist that binds to and deactivates the tropomyosin-related kinase B (TrkB) receptor, the main signaling receptor of the neurotrophin brain-derived neurotrophic factor (BDNF). Wikipedia:Tropomyosin_receptor_kinase_B phenio.json TrkB receptor agonist|TrkB receptor agonists|tropomyosin-related kinase B receptor agonists http://purl.obolibrary.org/obo/CHEBI_140489 3_STAR
CHEBI:140517 biolink:ChemicalSubstance C-terminal boronic acid peptide A member of the class of boronic acids that is any peptide in which the carboxy group at the C-terminus has been replaced by a borono (-B(OH)2) group. PMID:11814352|PMID:16608165|PMID:23412370|PMID:27966962|PMID:28827348|PMID:8154328|PMID:8154333|PMID:9204385|Patent:US2010036159 phenio.json C-terminal boronic acid petides|peptide boronic acid|peptide boronic acids|peptide-boronic acid http://purl.obolibrary.org/obo/CHEBI_140517 3_STAR
CHEBI:140518 biolink:ChemicalSubstance Ac-(D)Phe-Pro-boroArg-OH(1+) A guanidinium ion resulting from the protonation of the guanidino group of Ac-(D)Phe-Pro-boroArg-OH. The major species at pH 7.3. phenio.json http://purl.obolibrary.org/obo/CHEBI_140518 3_STAR
CHEBI:140522 biolink:ChemicalSubstance [(1->4)-alpha-D-galacturonosyl methyl ester](n) phenio.json [(1->4)-alpha-D-galacturonosyl methyl ester](n) http://purl.obolibrary.org/obo/CHEBI_140522 2_STAR
CHEBI:140523 biolink:ChemicalSubstance [(1->4)-alpha-D-galacturonosyl](n) Major microspecies at pH 7.3 phenio.json [(1->4)-alpha-D-galacturonosyl](n) http://purl.obolibrary.org/obo/CHEBI_140523 2_STAR
CHEBI:140535 biolink:ChemicalSubstance TRPV1 agonist An agonist at the transient receptor potential vanilloid 1 (TRPV1). Wikipedia:TRPV1 phenio.json TRPV1 agonists|capsaicin receptor agonist|capsaicin receptor agonists|transient receptor potential cation channel subfamily V member 1 agonist|transient receptor potential cation channel subfamily V member 1 agonists|transient receptor potential vanilloid 1 agonist|transient receptor potential vanilloid 1 agonists|vanilloid receptor 1 agonist|vanilloid receptor 1 agonists http://purl.obolibrary.org/obo/CHEBI_140535 3_STAR
CHEBI:140537 biolink:ChemicalSubstance diethylphosphate(1-) A dialkyl phosphate having ethyl as the alkyl group; major microspecies at pH 7.3 MetaCyc:DIETHYLPHOSPHATE phenio.json diethylphosphate http://purl.obolibrary.org/obo/CHEBI_140537 2_STAR
CHEBI:140559 biolink:ChemicalSubstance N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactose derivative KEGG:C06483|MetaCyc:A-antigen phenio.json an A antigen|an A histo-blood group antigen|an N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl derivative http://purl.obolibrary.org/obo/CHEBI_140559 2_STAR
CHEBI:140561 biolink:ChemicalSubstance (1->4)-3,6-bis(phospho)-alpha-D-glucan polyanion An organophosphate oxoanion obtained by global deprotonation of the phosphate OH groups of (1->4)-3,6-bis(phospho)-alpha-D-glucan; major species at pH 7.3. phenio.json (1->4)-3,6-bis(phospho)-alpha-D-glucan http://purl.obolibrary.org/obo/CHEBI_140561 2_STAR
CHEBI:140564 biolink:ChemicalSubstance delta-cadinene A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (position 8a). phenio.json 4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene|4,7-dimethyl-1-isopropyl-1,2,3,5,6,8a-hexahydronaphthalene|delta-cadinene|rel-(1R,8aS)-1-isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene http://purl.obolibrary.org/obo/CHEBI_140564 3_STAR
CHEBI:140572 biolink:ChemicalSubstance heparan sulfate alpha-D-N-sulfoglucosamine polyanion A carbohydrate acid derivative anion arising from deprotonation of the carboxylic acid and sulfate groups of the repeating units of heparan sulfate alpha-D-glucosaminide N-sulfate; major species at pH 7.3. phenio.json heparan sulfate alpha-D-glucosaminide N-sulfate http://purl.obolibrary.org/obo/CHEBI_140572 2_STAR
CHEBI:140575 biolink:ChemicalSubstance alpha-D-xylose-(1->3)-beta-D-glucose-L-seryl residue An L-alpha-amino acid residue derived from alpha-D-xylose-(1->3)-beta-D-glucose-L-serine. phenio.json 3-O-[alpha-D-xylosyl-(1->3)-beta-D-glucosyl]-L-seryl residue http://purl.obolibrary.org/obo/CHEBI_140575 2_STAR
CHEBI:140576 biolink:ChemicalSubstance beta-D-glucose-L-seryl residue An L-alpha-amino acid residue derived from beta-D-glucose-L-serine. phenio.json 3-O-(beta-D-glucosyl)-L-seryl residue http://purl.obolibrary.org/obo/CHEBI_140576 2_STAR
CHEBI:140594 biolink:ChemicalSubstance ethanediol derivative A substituted ethane carrying two hydroxy groups. phenio.json an ethanediol http://purl.obolibrary.org/obo/CHEBI_140594 2_STAR
CHEBI:140599 biolink:ChemicalSubstance alpha-D-xylose-(1->3)-alpha-D-xylose-(1->3)-beta-D-glucose-L-seryl residue An L-alpha-amino acid residue derived from alpha-D-xylose-(1->3)-alpha-D-xylose-(1->3)-beta-D-glucose-L-serine. phenio.json 3-O-[alpha-D-xylosyl-(1->3)-alpha-D-xylosyl-(1->3)-beta-D-glucosyl]-L-seryl residue http://purl.obolibrary.org/obo/CHEBI_140599 2_STAR
CHEBI:140601 biolink:ChemicalSubstance fatty acid 4:0 Any saturated fatty acid containing 4 carbons. phenio.json http://purl.obolibrary.org/obo/CHEBI_140601 3_STAR
CHEBI:140602 biolink:ChemicalSubstance Arabidopsis thaliana metabolite Any plant metabolite that is produced by Arabidopsis thaliana. Wikipedia:Arabidopsis_thaliana phenio.json Arabidopsis thaliana metabolites http://purl.obolibrary.org/obo/CHEBI_140602 3_STAR
CHEBI:140604 biolink:ChemicalSubstance phenio.json http://purl.obolibrary.org/obo/CHEBI_140604
CHEBI:140607 biolink:ChemicalSubstance S-(ADP-D-ribosyl)-L-cysteine(2-) residue An L-alpha-amino acid residue derived from S-(ADP-D-ribosyl)-L-cysteine. phenio.json S-(ADP-D-ribosyl)-L-cysteine residue http://purl.obolibrary.org/obo/CHEBI_140607 2_STAR
CHEBI:140613 biolink:ChemicalSubstance L,L-homocystine zwitterion A homocystine zwitterion in which both stereocentres have L configuration. MetaCyc:HOMOCYSTINE phenio.json L,L-homocystine|L-homocystine zwitterion http://purl.obolibrary.org/obo/CHEBI_140613 2_STAR
CHEBI:140618 biolink:ChemicalSubstance castor oil A mixture of triglycerides obtained by pressing the seeds of the castor oil plant, Ricinus communis. The major component is triricinolein. Typical fatty acid composition on hydrolysis is 87% ricinoleic acid, 7% oleic acid, 3% linoleic acid, 2% palmitic acid, 1% stearic acid, and trace amounts of dihydroxystearic acid. CAS:8001-79-4|DrugBank:DB11113|KEGG:D06462|PMID:28618920|PMID:28671592|PMID:28750937|PMID:28838804|PMID:28932063|Reaxys:8196707|Wikipedia:Castor_oil phenio.json Oleum Ricini|Ricinus communis oil|Ricinus oil|oil of Palma Christi|tangantangan oil http://purl.obolibrary.org/obo/CHEBI_140618 3_STAR
CHEBI:140621 biolink:ChemicalSubstance cisatracurium A diester that is the (1R,1'R,2R,2'R)-diastereoisomer of atracurium, a quaternary ammonium ion consisting of pentane-1,5-diol with both hydroxy functions bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. The active species in the skeletal muscle relaxant cisatracurium besylate. CAS:96946-41-7|DrugBank:DB00565|PMID:27703625|PMID:28239805|PMID:28351905|PMID:28367286|PMID:28770545|PMID:29324189|PMID:29368335|PMID:29517695|PMID:29635320|Patent:WO2013189800|Reaxys:8184048 phenio.json (1R,2R,1'R,2'R)-2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]|(1R,2R,1'R,2'R)-atracurium|(1R-cis,1'R-cis)-2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]|(1R-cis,1'R-cis)-atracurium http://purl.obolibrary.org/obo/CHEBI_140621 3_STAR
CHEBI:140629 biolink:ChemicalSubstance dialurate A barbiturate anion resulting from deprotonation of the carbon bearing the hydroxy group of dialuric acid. Major microspecies at pH 7.3 MetaCyc:CPD-15999|PMID:21344938 phenio.json dialurate http://purl.obolibrary.org/obo/CHEBI_140629 3_STAR
CHEBI:140658 biolink:ChemicalSubstance S-1,2-diacyl-sn-glyceryl-L-cysteine residue MetaCyc:MONOMER0-4342|PMID:7592473|PMID:7896715 phenio.json an S-1,2-diacyl-sn-glyceryl-L-cysteine residue http://purl.obolibrary.org/obo/CHEBI_140658 2_STAR
CHEBI:140675 biolink:ChemicalSubstance 3-hydroxyacyl derivative of bacterial toxin phenio.json a 3-hydroxyacyl derivative of bacterial toxin http://purl.obolibrary.org/obo/CHEBI_140675 2_STAR
CHEBI:140741 biolink:ChemicalSubstance hypotaurine(1-) An organosulfinate oxoanion resulting from the deprotonation of the sulfinic acid group of hypotaurine. PMID:22042256 phenio.json 2-aminoethanesulfinate http://purl.obolibrary.org/obo/CHEBI_140741 3_STAR
CHEBI:140764 biolink:ChemicalSubstance beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminyl-(2->6)]-N-acetyl-alpha-D-galactosaminide(1-) MetaCyc:CPD-16485 phenio.json a beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminyl-(2->6)]-N-acetyl-alpha-D-galactosaminyl derivative http://purl.obolibrary.org/obo/CHEBI_140764 2_STAR
CHEBI:140768 biolink:ChemicalSubstance ascorbyl palmitate Chemspider:16736579|KEGG:D02412|Wikipedia:Ascorbyl_palmitate phenio.json http://purl.obolibrary.org/obo/CHEBI_140768 2_STAR
CHEBI:140773 biolink:ChemicalSubstance lysophosphatidylcholine P-16:0 phenio.json GPCho P-16:0|GPCho(P-16:0)|LPC P-16:0|LPC(16:0p)|LPC(P-16:0)|PC P-16:0_0:0|PC(P-16:0_0:0)|lysoPC P-16:0|lysoPC(P-16:0)|lysophosphatidylcholine(P-16:0) http://purl.obolibrary.org/obo/CHEBI_140773 2_STAR
CHEBI:140774 biolink:ChemicalSubstance 4-[(1->4)-alpha-D-glucosyl]n-D-glucose phenio.json 4-[(1->4)-alpha-D-glucosyl]n-D-glucose http://purl.obolibrary.org/obo/CHEBI_140774 2_STAR
CHEBI:140775 biolink:ChemicalSubstance 1-[(1->4)-alpha-D-glucosyl]n-alpha-D-glucopyranoside phenio.json 1-[(1->4)-alpha-D-glucosyl]n-alpha-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_140775 2_STAR
CHEBI:140785 biolink:ChemicalSubstance R-cob(III)alamin MetaCyc:CPD-20938 phenio.json an R-cob(III)alamin http://purl.obolibrary.org/obo/CHEBI_140785 2_STAR
CHEBI:140810 biolink:ChemicalSubstance beta-D-glucosamine(1+) A 2-ammonio-2-deoxy-D-glucopyranose that has beta- configuration at the anomeric carbon. phenio.json 2-ammonio-2-deoxy-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_140810 3_STAR
CHEBI:14086 biolink:ChemicalSubstance dTDP-D-galactose The D-enantiomer of dTDP-galactose. KEGG:C02097 phenio.json dTDP-D-galactose|thymidine 5'-[3-(D-galactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_14086 3_STAR
CHEBI:140876 biolink:ChemicalSubstance GlcNAc-beta1,3-Gal-R blood group Type 1 oligosaccharide chain precursor phenio.json http://purl.obolibrary.org/obo/CHEBI_140876 2_STAR
CHEBI:140883 biolink:ChemicalSubstance TG(18:2/18:2/18:2) phenio.json TAG(18:2/18:2/18:2) http://purl.obolibrary.org/obo/CHEBI_140883 2_STAR
CHEBI:140905 biolink:ChemicalSubstance N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride An aromatic ether that is (2-phenoxyethyl)benzene which carries a 2-(dipropylamino)ethyl group at position 3 and a methoxy group at position 6. It is a potent and selective sigma1 receptor antagonist. CAS:149409-57-4|PMID:10090790|PMID:17556637|PMID:27208832|PMID:7475936|PMID:7603628|PMID:7609777|PMID:7821367|PMID:7823755|PMID:7901723|PMID:8041225|PMID:8137864|PMID:9544798|Patent:EP0717990|Patent:US5495046|Reaxys:8296389 phenio.json 4-methoxy-3-(2-phenylethoxy)-N,N-dipropyl-benzeneethanamine hydrochloride|N,N-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochloride|N,N-dipropyl-2-[4-methoxy-3-(2-phenylethoxyl)phenyl]ethylamine hydrochloride|N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride|NE 100|NE-100 http://purl.obolibrary.org/obo/CHEBI_140905 3_STAR
CHEBI:140908 biolink:ChemicalSubstance GANT61 An aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor. CAS:500579-04-4|PMID:20488474|PMID:22265815|PMID:22398221|PMID:23200667|PMID:24521409|PMID:24694609|PMID:24962990|PMID:25064451|PMID:25323222|PMID:25432075|PMID:25544756|PMID:26843616|PMID:27275540|PMID:27349387|PMID:27572939|PMID:27601167|PMID:27662839|PMID:27713179|PMID:27793816|PMID:27863397|PMID:27894350|PMID:28109323|PMID:28123507|PMID:28144905|PMID:28208838|PMID:28211214|PMID:28446294|PMID:28457748|PMID:28870808|PMID:28965853|PMID:29231999|PMID:29250185|PMID:29328464|PMID:29329585|PMID:29338454|PMID:29581853|PMID:29642386|PMID:29702195 phenio.json 2-({3-[2-(dimethylamino)benzyl]-2-(pyridin-4-yl)tetrahydropyrimidin-1(2H)-yl}methyl)-N,N-dimethylaniline|GANT-61|NSC 136476 http://purl.obolibrary.org/obo/CHEBI_140908 3_STAR
CHEBI:140911 biolink:ChemicalSubstance Lewis X antigen One of the blood groups of the Lewis antigen system phenio.json Gal-beta1,4-GlcNAc-(alpha1,3-Fuc)-beta1,3-Gal-R|LeX http://purl.obolibrary.org/obo/CHEBI_140911 2_STAR
CHEBI:140912 biolink:ChemicalSubstance Lewis Y antigen One of the blood groups of the Lewis antigen system phenio.json LeY|R-alpha-D-Gal-1,3-alpha-D-GlcNAc-(alpha1,3-Fuc)-1,4-D-Gal-1,2-alpha-D-Fuc http://purl.obolibrary.org/obo/CHEBI_140912 2_STAR
CHEBI:140915 biolink:ChemicalSubstance disialyl-Lewis A antigen A disialylated Lewis blood group antigen phenio.json R-alpha-D-Gal-beta1,3-alpha-D-GlcNAc-(alpha2,6-Neu5Ac)-(alpha1,4-Fuc)-beta1,3-D-Gal-alpha2,3-Neu5Ac|dsLeA http://purl.obolibrary.org/obo/CHEBI_140915 2_STAR
CHEBI:140917 biolink:ChemicalSubstance Type 1 monosialylgalactosylgloboside An intermediate in the formation of Lewis blood groups phenio.json R-alpha-D-Gal-beta1,3-alpha-D-GlcNAc-beta1,3-D-Gal-alpha2,3-Neu5Ac|Type 1 MSGG|Type 1 sialyl-paragloboside http://purl.obolibrary.org/obo/CHEBI_140917 2_STAR
CHEBI:140918 biolink:ChemicalSubstance Type 2 monosialylgalactosylgloboside An intermediate in the formation of Lewis blood groups phenio.json R-Gal-beta1,3-GlcNAc-beta1,4-Gal-alpha2,3-Neu5Ac|Type 2 MSGG http://purl.obolibrary.org/obo/CHEBI_140918 2_STAR
CHEBI:140919 biolink:ChemicalSubstance Type 1 disialyl-paragloboside Formed by the addition of sialic acid (Neu5Ac) to Type 1 MSGG and is the precursor for disialyl-Lewis A antigen phenio.json Type 1 DSGG http://purl.obolibrary.org/obo/CHEBI_140919 2_STAR
CHEBI:140921 biolink:ChemicalSubstance Hedgehog signaling pathway inhibitor Any pathway inhibitor that inhibits the Hedgehog signalling pathway. Wikipedia:Hedgehog_pathway_inhibitors phenio.json Hedgehog pathway inhibitor|Hedgehog pathway inhibitors|Hedgehog signaling pathway inhibitors http://purl.obolibrary.org/obo/CHEBI_140921 3_STAR
CHEBI:140922 biolink:ChemicalSubstance glioma-associated oncogene inhibitor An inhibitor of any of the glioma-associated oncogene (GLI) proteins. phenio.json GLI inhibitor|GLI inhibitors|glioma-associated oncogene inhibitors http://purl.obolibrary.org/obo/CHEBI_140922 3_STAR
CHEBI:140936 biolink:ChemicalSubstance 1-(1-methylindol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea A member of ther class of ureas that is urea in which a hydrogen attached to one of the nitrogens has been replaced by an N-methylindol-5-yl group, while a hydrogen attached to the other nitrogen has been replaced by a 3-methyl-1,2-thiazol-5-yl group. It is a potent and selective antagonist for the 5-hydroxytryptamine 2B (5-HT2B) receptor. CAS:152239-46-8|PMID:10821800|PMID:20374255|PMID:20472767|PMID:20969855|PMID:21860590|PMID:22120177|PMID:22210189|PMID:23769718|PMID:25544272|PMID:25667920|PMID:26293029|PMID:27511837|PMID:29649585|PMID:7582481|PMID:7699699|Wikipedia:SB-204741 phenio.json 1-(1-methyl-1H-indol-5-yl)-3-(3-methyl-1,2-thiazol-5-yl)urea|3-(3-methyl-1,2-thiazol-5-yl)-1-(1-methylindol-5-yl)urea|N-(1-methyl-1H-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea|N-(1-methyl-5-indolyl)-N'-(3-methyl-5-isothiazolyl)urea|SB 204741|SB-204741|SB204741 http://purl.obolibrary.org/obo/CHEBI_140936 3_STAR
CHEBI:140941 biolink:ChemicalSubstance omega-9 fatty acid phenio.json http://purl.obolibrary.org/obo/CHEBI_140941 2_STAR
CHEBI:140943 biolink:ChemicalSubstance fatty acid 16:0 phenio.json FA 16:0|FA(16:0) http://purl.obolibrary.org/obo/CHEBI_140943 2_STAR
CHEBI:140948 biolink:ChemicalSubstance fatty acid 18:1 phenio.json FA 18:1|FA(18:1) http://purl.obolibrary.org/obo/CHEBI_140948 2_STAR
CHEBI:140949 biolink:ChemicalSubstance fatty acid 18:2 phenio.json FA 18:2|FA(18:2) http://purl.obolibrary.org/obo/CHEBI_140949 2_STAR
CHEBI:140991 biolink:ChemicalSubstance omega-methyl-long-chain fatty acid anion A long-chain fatty acid anion obtained by deprotonation of the carboxy group of any omega-methyl fatty acid; major species at pH 7.3. phenio.json an omega-methyl-long-chain fatty acid|omega-methyl-long-chain fatty acid anions http://purl.obolibrary.org/obo/CHEBI_140991 2_STAR
CHEBI:140992 biolink:ChemicalSubstance omega-hydroxy-long-chain fatty acid anion An omega-hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any omega-hydroxy-long-chain fatty acid; major species at pH 7.3. phenio.json an omega-hydroxy-long-chain fatty acid|long-chain omega-hydroxy fatty acid anion|long-chain omega-hydroxy fatty acid anions|omega-hydroxy long-chain fatty acid anion|omega-hydroxy long-chain fatty acid anions|omega-hydroxy-long-chain fatty acid anions|omega-hydroxy-long-chain fatty acid(1-) http://purl.obolibrary.org/obo/CHEBI_140992 3_STAR
CHEBI:140994 biolink:ChemicalSubstance 4-nitrophenyl sulfate An aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 4-nitrophenyl hydrogen sulfate. The major microspecies at pH 7.3. PMID:19036922 phenio.json 4-nitrophenyl sulfate|p-nitrophenyl sulfate http://purl.obolibrary.org/obo/CHEBI_140994 3_STAR
CHEBI:140997 biolink:ChemicalSubstance omega-hydroxy-long-chain fatty acid A omega-hydroxy-fatty acid with a chain length ranging from C13 to C22. phenio.json long-chain omega-hydroxy-fatty acid|long-chain omega-hydroxy-fatty acids|long-chain-omega-hydroxy-fatty acid|long-chain-omega-hydroxy-fatty acids|omega-hydroxy-long-chain fatty acids http://purl.obolibrary.org/obo/CHEBI_140997 3_STAR
CHEBI:141004 biolink:ChemicalSubstance alpha-D-galacturonosyl-(1->4)-D-galacturonate(2-) A carbohydrate acid anion arising from deprotonation of both carboxy groups of 4-(alpha-D-galactopyranuronosyl)-D-galactopyranuronic acid; major species at pH 7.3. PMID:2168372|PMID:5661621 phenio.json 4-O-alpha-D-galactopyranuronosyl-D-galactopyranuronate|alpha-D-galacturonosyl-(1->4)-D-galacturonate http://purl.obolibrary.org/obo/CHEBI_141004 3_STAR
CHEBI:141005 biolink:ChemicalSubstance (6S)-5,6,7,8-tetrahydrofolyl-poly(gamma-glutamate) macromolecule A tetrahydrofolyl-poly(glutamate) macromolecule in which the stereocentre at position 6 on the tetrahydrofolyl moiety has S-configuration. phenio.json (6S)-5,6,7,8-tetrahydrofolyl-(gamma-L-Glu)n http://purl.obolibrary.org/obo/CHEBI_141005 3_STAR
CHEBI:141006 biolink:ChemicalSubstance alpha-D-GalpA-(1->4)-D-GalpA A digalacturonic acid in which an alpha-D-galactopyranuronic acid unit is joined to a D-galactopyranuronic acid unit via an alpha-(1->4)-linkage. CAS:5894-59-7|GlyTouCan:G11876JO|KEGG:C02273|KEGG:G02614 phenio.json 4-(alpha-D-glucopyranosyluronic acid)-D-glucuronic acid|4-O-alpha-D-galactopyranuronosyl-D-galactopyranuronic acid|alpha-D-GalpA-(1->4)-D-GalpA|alpha-D-galactopyranuronosyl-(1->4)-D-galactopyranuronic acid http://purl.obolibrary.org/obo/CHEBI_141006 3_STAR
CHEBI:141014 biolink:ChemicalSubstance a pyrimidine ribonucleoside Any pyrimidine ribonucleoside phenio.json a pyrimidine ribonucleoside http://purl.obolibrary.org/obo/CHEBI_141014 2_STAR
CHEBI:141023 biolink:ChemicalSubstance 2,3,6-trichloro-4-hydroxyphenolate A phenolate anion that is 2,3,5-trichlorobenzene-1,4-diol in which the hydroxy group that is ortho- to two chlorines has undergone deprotonation. The major species at pH 7.3. MetaCyc:236-TRICHLOROHYDROQUINONE|PMID:1459949 phenio.json 2,3,5-trichlorobenzene-1,4-diol(1-)|2,3,6-trichloro-4-hydroxyphenolate|2,3,6-trichlorohydroquinone http://purl.obolibrary.org/obo/CHEBI_141023 3_STAR
CHEBI:141024 biolink:ChemicalSubstance 2,6-dichloro-4-hydroxyphenolate A phenolate anion that is 2,6-dichlorohydroquinone in which the hydroxy group that is ortho to both of the chlorines has been deprotonated. The major species at pH 7.3 MetaCyc:26-DICHLORO-P-HYDROQUINONE|PMID:1459949 phenio.json 2,6-dichloro-4-hydroxyphenolate|2,6-dichlorohydroquinone http://purl.obolibrary.org/obo/CHEBI_141024 3_STAR
CHEBI:141046 biolink:ChemicalSubstance 16,16-dimethylprostaglandin E2 A prostanoid that is prostaglandin E2 in which both of the hydrogens at position 16 have been replaced by methyl groups. A synthetic analogue of prostaglandin E2, it is a potent inhibitor of pancreatic function and growth of experimental tumors. It also protects the gastric mucosa, prevents ulceration, and promotes the healing of peptic ulcers. CAS:39746-25-3|LIPID_MAPS_instance:LMFA03010065|PMID:10630489|PMID:10669047|PMID:10952078|PMID:11208431|PMID:11991626|PMID:1372575|PMID:1373359|PMID:1604570|PMID:1629578|PMID:174967|PMID:19059888|PMID:2116342|PMID:23996087|PMID:3562785|PMID:7201834|PMID:7513369|PMID:7616483|PMID:7625885|PMID:7847837|PMID:7874263|PMID:8225563|PMID:8322025|PMID:8419232|PMID:8514255|PMID:8613460|PMID:9073153|PMID:9481403 phenio.json (5Z,11alpha,13E,15R)-11,15-dihydroxy-16,16-dimethyl-9-oxoprosta-5,13-dien-1-oic acid|16,16-Dimethyl-pge2|16,16-Dimethyl-prostaglandin E2|16,16-dimethyl Prostaglandin E2|9-oxo-11R,15R-dihydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid|dmPGE(2)|dmPGE2 http://purl.obolibrary.org/obo/CHEBI_141046 3_STAR
CHEBI:14105 biolink:ChemicalSubstance deamido-NAD zwitterion Beilstein:3865990 phenio.json adenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] hydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_14105 3_STAR
CHEBI:141050 biolink:ChemicalSubstance 1,6-didemethyltoxoflavin A pyrimidotriazine that is 5,6,7,8-tetrahydropyrimido[5,4-e][1,2,4]triazine with oxo groups at positions 5 and 7. CAS:19359-69-4|KEGG:C21956|MetaCyc:CPD-21063|PDBeChem:AZ8|PMID:27070241|Reaxys:1110645 phenio.json 1,6-didemethyltoxoflavin|8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione|pyrimido[5,4-e][1,2,4]triazine-5,7(6H,8H)-dione http://purl.obolibrary.org/obo/CHEBI_141050 3_STAR
CHEBI:141056 biolink:ChemicalSubstance 2-O-[alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-D-glycerate MetaCyc:CPD-20963|PMID:26324178 phenio.json (2R)-2-O-[alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-glycerate http://purl.obolibrary.org/obo/CHEBI_141056 2_STAR
CHEBI:141058 biolink:ChemicalSubstance 2-O-[6-O-octanoyl-alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-D-glycerate MetaCyc:CPD-20964|PMID:26324178 phenio.json (2R)-2-O-[6-O-octanoyl-alpha-D-glucopyranosyl-(1->6)-alpha-D-glucopyranosyl]-glycerate http://purl.obolibrary.org/obo/CHEBI_141058 2_STAR
CHEBI:141063 biolink:ChemicalSubstance rubimaillin A benzochromene that is 2H-benzo[h]chromene which is substituted by two methyl groups at position 2, a methoxycarbonyl group at position 5, and a hydroxy group at position 6. Found in the Chinese medical plant Rubia cordifola, It has an anti-cancer effect by inhibition of TNF-alpha-induced NF-kappaB activation. It is also a dual inhibitor of acyl-CoA:cholesterol acyltransferase 1 and 2 (ACAT1 and ACAT2), but is more selective for the ACAT2 isozyme. CAS:55481-88-4|PMID:19652367|PMID:19716835|PMID:19765578|PMID:21077262|PMID:21236252|PMID:22997839|PMID:23000442|PMID:23065756|PMID:23318249|PMID:23466342|PMID:23738323|PMID:23845549|PMID:24887566|PMID:25310176|PMID:25636867|PMID:26126771|PMID:26681510|PMID:26697688|PMID:27258244|PMID:28933726|PMID:29027119 phenio.json methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate|mollugin http://purl.obolibrary.org/obo/CHEBI_141063 3_STAR
CHEBI:141129 biolink:ChemicalSubstance N(6)-tetradecanoyl-L-lysine residue An alpha-amino-acid residue derived from N(6)-tetradecanoyl-L-lysine. phenio.json N(6)-myristoyl-L-lysine residue|N(6)-tetradecanoyl-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_141129 2_STAR
CHEBI:141153 biolink:ChemicalSubstance quinone outside inhibitor A mitochondrial cytochrome-bc1 complex inhibitor that acts at the Quinone 'outer' (Qo) binding site of the cytochrome-bc1 complex. Wikipedia:QoI phenio.json QOI|QOIs|Qo inhibitor|Qo inhibitors|quinone outside inhibitors http://purl.obolibrary.org/obo/CHEBI_141153 3_STAR
CHEBI:141211 biolink:ChemicalSubstance (R)-3-hydroxyisobutyrate The anion formed by loss of a proton from the carboxy group of (R)-3-hydroxyisobutyric acid; major microspecies at pH 7.3. MetaCyc:CPD-12176 phenio.json (2R)-3-hydroxy-2-methylpropanoate|(R)-3-hydroxy-2-methylpropanoate|(R)-3-hydroxy-2-methylpropionate http://purl.obolibrary.org/obo/CHEBI_141211 2_STAR
CHEBI:141212 biolink:ChemicalSubstance (R)-methylmalonate semialdehyde 2-methyl-3-oxopropanoate with R configuration at the chiral centre; major microspecies at pH 7.3. MetaCyc:CPD-12177 phenio.json (R)-2-methyl-3-oxopropanoate http://purl.obolibrary.org/obo/CHEBI_141212 2_STAR
CHEBI:141283 biolink:ChemicalSubstance (6E)-nerolidol A nerolidol in which the double bond at position 6 adopts a trans-configuration. AGR:IND605928773|AGR:IND606979241|BPDB:2114|CAS:40716-66-3|Chemspider:4447568|FooDB:FDB021836|KNApSAcK:C00029339|MetaCyc:E-nerolidol|PMID:28450026|PMID:31259712|PMID:31755290|PMID:32257238|PMID:32496135|PMID:32858427|PMID:33569782|PMID:33677497|PMID:33742746|PMID:33790242 phenio.json (6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol|(6E)-nerolidol|(E)-3,7,11-trimethyldodeca-1,6,10-trien-3-ol|(E)-nerolidol|trans-nerolidol http://purl.obolibrary.org/obo/CHEBI_141283 3_STAR
CHEBI:141297 biolink:ChemicalSubstance phosphatidylglycerol 32:0 phenio.json PG 32:0|PG(32:0)|phosphatidylglycerol(32:0) http://purl.obolibrary.org/obo/CHEBI_141297 2_STAR
CHEBI:141299 biolink:ChemicalSubstance phosphatidylglycerol 34:0 phenio.json PG 34:0|PG(34:0)|phosphatidylglycerol(34:0) http://purl.obolibrary.org/obo/CHEBI_141299 2_STAR
CHEBI:141346 biolink:ChemicalSubstance solabegron A carboxybiphenyl that is [biphenyl]-3-carboxylic acid carrying a (2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)nitrilo group at the 3' position. A selective beta3-adrenergic receptor agonist currently in clinical development for the treatment of overactive bladder and irritable bowel syndrome. CAS:252920-94-8|DrugBank:DB06190|PMID:16640337|PMID:17026593|PMID:17626794|PMID:18372395|PMID:19786030|PMID:22695239|PMID:25557359|PMID:25689345|PMID:26954275|Patent:US8642661|Reaxys:10484931|Wikipedia:Solabegron phenio.json (R)-3'-((2-((2-(3-chlorophenyl)-2-hydroxyethyl)amino)ethyl)amino)-(1,1'-biphenyl)-3-carboxylic acid|3'-[(2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}ethyl)amino][biphenyl]-3-carboxylic acid|GW 427353|GW-427353|GW427353|solabegron|solabegronum http://purl.obolibrary.org/obo/CHEBI_141346 3_STAR
CHEBI:141434 biolink:ChemicalSubstance monoacyl-3-O-(beta-D-galactosyl)-sn-glycerol A monogalactosylmonoacylglycerol with the acyl chain at either sn-1 or sn-2. (R(1)= OH, R(2) = acyl or vice versa). Formula: C10H17O9R1 PMID:15287741 phenio.json MGMG|an acyl-3-O-(beta-D-galactosyl)-sn-glycerol http://purl.obolibrary.org/obo/CHEBI_141434 3_STAR
CHEBI:141438 biolink:ChemicalSubstance His-Phe A dipeptide obtained by formal condensation of the carboxy group of L-histidine with the amino group of L-phenylalanine. CAS:16874-81-0|HMDB:HMDB0028892|PMID:18343901|PMID:24354419|Reaxys:40775 phenio.json (2S)-2-{[(2S)-2-amino-3-(1H-imidazol-4-yl)propanoyl]amino}-3-phenylpropanoic acid|H-F|H-F dipeptide|HF|HF dipeptide|L-histidyl-L-phenylalanine|N-L-histidyl-L-phenylalanine|N-histidyl-phenylalanine|histidine phenylalanine dipeptide|histidylphenylalanine http://purl.obolibrary.org/obo/CHEBI_141438 3_STAR
CHEBI:141474 biolink:ChemicalSubstance diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate A diester that is diethyl succinate in which position 2 is substituted by a (dimethoxyphosphorothioyl)thio group. Reaxys:5381514 phenio.json diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate http://purl.obolibrary.org/obo/CHEBI_141474 3_STAR
CHEBI:141475 biolink:ChemicalSubstance (R)-malathion A diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate that is the R-enantiomer of malathion. phenio.json (R)-O-[1,2-bis-(ethoxycarbonyl)ethyl]-O,O-dimethyl phosphorodithioate|diethyl (2R)-2-[(dimethoxyphosphorothioyl)thio]succinate http://purl.obolibrary.org/obo/CHEBI_141475 3_STAR
CHEBI:141476 biolink:ChemicalSubstance (S)-malathion A diethyl 2-[(dimethoxyphosphorothioyl)thio]succinate that is the S-enantiomer of malathion. Reaxys:5381515 phenio.json (S)-O-[1,2-bis-(ethoxycarbonyl)ethyl]-O,O-dimethyl phosphorodithioate|diethyl (2S)-2-[(dimethoxyphosphorothioyl)thio]succinate http://purl.obolibrary.org/obo/CHEBI_141476 3_STAR
CHEBI:141486 biolink:ChemicalSubstance (2R)-4-(2-ammonio-1-hydroxyethyl)phenol In nature, p-octopamine is believed to exist in only one stereoisomeric form, the L- or [R-(-)] form. PMID:24654910 phenio.json (2R)-2-hydroxy-2-(4-hydroxyphenyl)ethan-1-aminium|(R)-octopamine|octopamine|p-octopamine http://purl.obolibrary.org/obo/CHEBI_141486 2_STAR
CHEBI:141487 biolink:ChemicalSubstance N(4)-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine An aminoquinoline that is 8-aminoquinoline which is substituted by methoxy groups at positions 2 and 6, a methyl group at position 4, and a m-(trifluoromethyl)phenoxy group at position 5, and in which the amino substituent at position 8 is itself substituted by a 5-aminopentan-2-yl group. phenio.json N(4)-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine http://purl.obolibrary.org/obo/CHEBI_141487 3_STAR
CHEBI:141488 biolink:ChemicalSubstance (R)-tafenoquine A N(4)-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine that has R configuration. phenio.json http://purl.obolibrary.org/obo/CHEBI_141488 3_STAR
CHEBI:141489 biolink:ChemicalSubstance (S)-tafenoquine A N(4)-{2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl}pentane-1,4-diamine that has S configuration. phenio.json http://purl.obolibrary.org/obo/CHEBI_141489 3_STAR
CHEBI:141492 biolink:ChemicalSubstance (3S)-3-hydroxy-L-lysine(1+) residue An amino-acid cation residue obtained by protonation of the side-chain amino group of (3S)-3-hydroxy-L-lysine residue residue; major species at pH 7.3. phenio.json (3S)-3-hydroxy-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_141492 2_STAR
CHEBI:141493 biolink:ChemicalSubstance carboxybiphenyl Any member of the class of biphenyls that has one or more carboxy groups attached to the biphenyl skeleton. phenio.json carboxybiphenyls http://purl.obolibrary.org/obo/CHEBI_141493 3_STAR
CHEBI:141495 biolink:ChemicalSubstance 4-hydroxy-L-lysine(1+) residue An amino-acid cation residue obtained by protonation of the side-chain amino group of 4-hydroxy-L-lysine residue residue; major species at pH 7.3. PMID:24486019 phenio.json 4-hydroxy-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_141495 2_STAR
CHEBI:141496 biolink:ChemicalSubstance 4-hydroxy-L-lysine(1+) An alpha-amino-acid cation obtained by deprotonation of the carboxy group and protonation of the amino groups of 4-hydroxy-L-lysine: major species at pH 7.3. phenio.json http://purl.obolibrary.org/obo/CHEBI_141496 2_STAR
CHEBI:141498 biolink:ChemicalSubstance hemiaminal ether An organic amino compound that is a hemiaminal in which the hydrogen atom of the hydroxy group has been replaced by an organyl group. General formula: R2C(OR')NR2 ( R =/= H ). Also known as alpha-amino ethers. phenio.json alpha-amino ether|alpha-amino ethers|hemiaminal ethers http://purl.obolibrary.org/obo/CHEBI_141498 3_STAR
CHEBI:141499 biolink:ChemicalSubstance (3S)-3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine(1+) Major microspecies at pH 7.3. PMID:27965989 phenio.json (3S)-3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine http://purl.obolibrary.org/obo/CHEBI_141499 2_STAR
CHEBI:141520 biolink:ChemicalSubstance imidaprilat A member of the class of imidazolidines that is imidapril in which the ethyl ester group has been hydrolysed to the corresponding acid group. It is the active metabolite of imidapril used to treat hypertension. CAS:89371-44-8|KEGG:C21519|PMID:11089901|PMID:16406270|PMID:18192036|PMID:8923331|PMID:9278890|PMID:9591932|Reaxys:5857382 phenio.json (4S)-1-methyl-3-{(2S)-2-[N-((1S)-1-carboxy-3-phenylpropyl)amino]propionyl}-2-oxo-imidazolidine-4-carboxylic acid|(4S)-3-{N-[(1S)-1-carboxy-3-phenylpropyl]-L-alanyl}-1-methyl-2-oxoimidazolidine-4-carboxylic acid|imidaprilat|imidaprilate|imidaprilatum http://purl.obolibrary.org/obo/CHEBI_141520 3_STAR
CHEBI:141521 biolink:ChemicalSubstance trandolaprilat A heterobicyclic compound that is trandolapril in which the ethyl ester group has been hydrolysed to the corresponding acid group. It is the active metabolite of the prodrug trandolapril. CAS:87679-71-8|Chemspider:4576532|DrugBank:DB14209|HMDB:HMDB0060583|KEGG:C21515|PDBeChem:X93|PMID:11409646|PMID:12736518|PMID:17117442|PMID:20488190|PMID:2478763|PMID:2551273|PMID:25864194|PMID:2847673|PMID:3383998|PMID:7527094|PMID:7527103|PMID:7531766|PMID:8258671|PMID:8396059|Patent:CN101302185|Patent:CN101460459|Reaxys:8875886 phenio.json (2S,3aR,7aS)-1-((S)-N-((S)-1-carboxy-3-phenylpropyl)alanyl)hexahydro-2-indolinecarboxylic acid|(2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid|1-(2-((1-carboxy-3-phenylpropyl)amino)-1-oxopropyl)octahydro-1H-indole-2-carboxylic acid|RU 44403|RU-44403|RU44403|trandolapril diacid|trandolaprilat|trandolaprilate|trandolaprilatum http://purl.obolibrary.org/obo/CHEBI_141521 3_STAR
CHEBI:141522 biolink:ChemicalSubstance spiraprilat An azaspiro compound that is spirapril in which the ethyl ester group has been hydrolysed to the corresponding carboxylic acid group. It is the active metabolite of the angiotensin-converting enzyme (ACE) inhibitor spirapril. CAS:83602-05-5|KEGG:D03775|PMID:1384174|PMID:7505361|PMID:8061850|PMID:9269955|Pubchem:3033702|Reaxys:4275869|Wikipedia:Spiraprilat phenio.json (8S)-7-((S)-N-((S)-1-Carboxy-3-phenylpropyl)alanyl)-1,4-dithia-7-azaspiro(4.4)nonane-8-carboxylic acid|(8S)-7-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxylic acid|7-[N-(1(S)-carboxy-3-phenylpropyl)-S-alanyl]-1,4-dithia-7-azaspiro[4.4]nonane-8(S)-carboxylic acid|SCH-33861|Spiraprilate|Spiraprilatum http://purl.obolibrary.org/obo/CHEBI_141522 3_STAR
CHEBI:141547 biolink:ChemicalSubstance desmethyldoxepin A dibenzooxepine resulting from the demethylation of the antidepressant doxepin. It is the active metabolite of doxepin. CAS:1225-56-5|HMDB:HMDB0060840|PMID:12136371|PMID:19524381|PMID:2865592|PMID:4074620|PMID:7062243|PMID:7113722|PMID:711683|PMID:9140766|PMID:9460230|Patent:WO2007136741|Reaxys:1348117|Wikipedia:Nordoxepin phenio.json 11-(3-methylamino-propyliden)-dibenzo[b,e]oxepin|3-(6H-dibenz[b,e]oxepin-11-ylidene)-N-methylpropylamine|3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methyl-1-propanamine|3-(dibenzo[b,e]oxepin-11(6H)-ylidene)-N-methylpropan-1-amine|N-desmethyldoxepin|demethyldoxepin|desmethyldoxepin|desmethyldoxepine|monodesmethyldoxepin|nordoxepin http://purl.obolibrary.org/obo/CHEBI_141547 3_STAR
CHEBI:141552 biolink:ChemicalSubstance forasartan A member of the class of pyridines that is pyridine which is substituted at positions 2 and 5 by o-(tetrazol-5-yl)phenyl and (3,5-dibutyl-1,2,4-triazol-1-yl)methyl groups, respectively. It is a nonpeptide antagonist of angiotensin II, type 1 (AT1) receptors, used for the treatment of hypertension. CAS:145216-43-9|DrugBank:DB01342|HMDB:HMDB0015434|KEGG:D04243|PMID:7505365|PMID:8981065|PMID:9156352|PMID:9194514|Reaxys:9361619|Wikipedia:Forasartan phenio.json 5-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl]-2-[2-(1H-tetrazol-5-yl)phenyl]pyridine|SC 52458|SC-52458|forasartan|forasartanum http://purl.obolibrary.org/obo/CHEBI_141552 3_STAR
CHEBI:141588 biolink:ChemicalSubstance phosphatidylethanolamine 36:2 A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 36 carbons in total with 2 double bonds. MetaCyc:Phosphatidylethanolamines-36-2|PMID:26707637|PMID:27002763|PMID:27162539|PMID:29852985|PMID:30007793 phenio.json PE 36:2|PE(36:2) http://purl.obolibrary.org/obo/CHEBI_141588 3_STAR
CHEBI:141589 biolink:ChemicalSubstance phosphatidylethanolamine 36:3 A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 36 carbons in total with 3 double bonds. MetaCyc:Phosphatidylethanolamines-36-3|PMID:27881988|PMID:28754302|PMID:28807032 phenio.json PE 36:3|PE(36:3)|PE-36:3 http://purl.obolibrary.org/obo/CHEBI_141589 3_STAR
CHEBI:141590 biolink:ChemicalSubstance phosphatidylethanolamine 38:3 A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 38 carbons in total with 3 double bonds. MetaCyc:Phosphatidylethanolamines-38-3|PMID:22546713|PMID:27907021|PMID:27976698 phenio.json PE 38:3|PE(38:3)|PE-38:3 http://purl.obolibrary.org/obo/CHEBI_141590 3_STAR
CHEBI:141591 biolink:ChemicalSubstance PE(18:1_18:1) A phosphatidylethanolamine 36:2 in which both acyl groups have 18 carbons and 1 double bond each (position not specified). phenio.json PE 18:1_18:1|phosphatidylethanolamine 18:1_18:1|phosphatidylethanolamine(18:1_18:1) http://purl.obolibrary.org/obo/CHEBI_141591 3_STAR
CHEBI:141597 biolink:ChemicalSubstance PE(18:0_20:4) A phosphatidylethanolamine 38:4 in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified). PMID:25676385 phenio.json PE 18:0_20:4|phosphatidylethanolamine 18:0_20:4|phosphatidylethanolamine(18:0_20:4) http://purl.obolibrary.org/obo/CHEBI_141597 3_STAR
CHEBI:141610 biolink:ChemicalSubstance 3-hydroxy-D-kynurenine zwitterion Zwitterionic form of 3-hydroxy-D-kynurenine arising from transfer of a proton from the carboxy to the amino group; major microspecies at pH 7.3 PMID:21612226 phenio.json 3-hydroxy-D-kynurenine|D-3HK http://purl.obolibrary.org/obo/CHEBI_141610 2_STAR
CHEBI:141634 biolink:ChemicalSubstance F420(ox.) A deazaflavin cofactor used by mycobacteria to protect itself from nitrosative damage. The oxidised form needs to be reduced for this use. PMID:19325122 phenio.json http://purl.obolibrary.org/obo/CHEBI_141634 2_STAR
CHEBI:141635 biolink:ChemicalSubstance F420(red.) A deazaflavin cofactor in reduced form is used by mycobacteria to protect itself from nitrosative damage. PMID:19325122 phenio.json http://purl.obolibrary.org/obo/CHEBI_141635 2_STAR
CHEBI:141667 biolink:ChemicalSubstance (-)-noscapine hemiacetal A lactol that is (-)-noscapine [which is also known as (-)-alpha-narcotine] in which the carbonyl group of the lactone moiety has been reduced to give the corresponding lactol. It is the biosynthetic precursor of (-)-noscapine. KEGG:C20297|MetaCyc:CPD-14833|PMID:25485687|PMID:26369413|PMID:27634038|PMID:29723437|Reaxys:6547265 phenio.json (-)-alpha-narcotine hemiacetal|(-)-narcotine hemiacetal|(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-ol|narcotine hemiacetal|noscapine hemiacetal http://purl.obolibrary.org/obo/CHEBI_141667 3_STAR
CHEBI:141668 biolink:ChemicalSubstance L-tyrosinal(1+) A primary ammonium ion resulting from the protonation of the amino group of L-tyrosinal. MetaCyc:CPD-21526|PMID:23281040 phenio.json (2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-aminium|(2S)-1-(p-hydroxyphenyl)-3-oxopropan-2-aminium|L-tyrosinal http://purl.obolibrary.org/obo/CHEBI_141668 3_STAR
CHEBI:141698 biolink:ChemicalSubstance L,L-homocystine A homocystine in which both chiral centres have L configuration. CAS:626-72-2|FooDB:FDB022176|HMDB:HMDB0000676|KEGG:C01817|MetaCyc:HOMOCYSTINE|PMID:12934959|PMID:14980706|PMID:16455044|PMID:2105746|PMID:22852134|PMID:5748939|Reaxys:1728583|Wikipedia:Homocystine phenio.json (2S)-2-amino-4-{[(3S)-3-amino-3-carboxypropyl]disulfanyl}butanoic acid|(2S,2'S)-4,4'-dithiobis(2-aminobutanoic acid)|(2S,2'S)-4,4'-dithiobis(2-aminobutyric acid)|L-4,4'-dithio-bis(2-aminobutanoic acid)|L-4,4'-dithio-bis(2-aminobutyric acid)|L-4,4'-dithiobis(2-aminobutanoic acid)|L-homocystine http://purl.obolibrary.org/obo/CHEBI_141698 3_STAR
CHEBI:141748 biolink:ChemicalSubstance N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(3-) phenio.json GT2(3-)|a ganglioside GT2|beta-D-GalNAc-(1->4)-[alpha-NeuAc-(2->8)-alpha-NeuAc-(2->8)-alpha-NeuAc-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(3-) http://purl.obolibrary.org/obo/CHEBI_141748 2_STAR
CHEBI:14178 biolink:ChemicalSubstance 1D-myo-inositol bis(diphosphate) tetrakisphosphate A 1D-myo-inositol tetrakisphosphate compound of unknown isomeric configuration with diphosphate groups attached at the two remainig vacant positions. MetaCyc:Bisdiphospho-myo-inositol-polyphosphates phenio.json diphospho-1D-myo-inositol tetrakisphosphates http://purl.obolibrary.org/obo/CHEBI_14178 3_STAR
CHEBI:141782 biolink:ChemicalSubstance undec-1-en-1-ol A fatty alcohol 11:1 that is undecanol containing a double bond located at position 1; a minor tautomer of undecanal. CAS:25377-71-3|PMID:21548633|PMID:30119014 phenio.json 1-undecen-1-ol|1-undecenol|undec-1-en-1-ol|undecene-1-ol|undecenyl alcohol http://purl.obolibrary.org/obo/CHEBI_141782 3_STAR
CHEBI:141790 biolink:ChemicalSubstance 3-hydroxybutane-1,2,3-tricarboxylate A tricarboxylic acid trianion resulting from the deprotonation of all three carboxy groups of 3-hydroxybutane-1,2,3-tricarboxylic acid; major microspecies at pH 7.3. PMID:28956599 phenio.json 1-hydroxy-1-methylpropane-1,2,3-tricarboxylate|3-hydroxybutane-1,2,3-tricarboxylate http://purl.obolibrary.org/obo/CHEBI_141790 3_STAR
CHEBI:141817 biolink:ChemicalSubstance 5-hydroxy-L-lysinium residue An L-lysinium residue that is substituted by an hydroxy group at position 5; major microspecies at pH 7.3. phenio.json (2S)-5-hydroxylysine residue|5-hydroxy-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_141817 2_STAR
CHEBI:141828 biolink:ChemicalSubstance 3-hydroxy-L-asparagine residue An L-asparagine residue that is substituted by an hydroxy group at position. phenio.json (2S)-3-hydroxyasparagine residue http://purl.obolibrary.org/obo/CHEBI_141828 2_STAR
CHEBI:141847 biolink:ChemicalSubstance 5'-end GMP-ribonucleotide(3-) residue PMID:24548272 phenio.json 5'-phospho-guanosine-ribonucleotide residue http://purl.obolibrary.org/obo/CHEBI_141847 2_STAR
CHEBI:141856 biolink:ChemicalSubstance 5'-end NMP-ribonucleotide(3-) residue phenio.json 5'-phospho-ribonucleoside-ribonucleotide residue http://purl.obolibrary.org/obo/CHEBI_141856 2_STAR
CHEBI:141969 biolink:ChemicalSubstance tipifarnib A quinolone that is 1-methylquinolin-2-one which carries a 3-chlorophenyl and an amino(4-chlorophenyl)(1-methyl-imidazol-5-yl)methyl groups at the 4 and 6 positions, respectively (the R-isomer). CAS:192185-72-1|DrugBank:DB04960|KEGG:D03720|PMID:12065441|PMID:12769710|PMID:16101130|PMID:16885199|PMID:22209975|PMID:23672878|PMID:24500418|PMID:26323840|PMID:28395021|PMID:28988377|PMID:29374384|PMID:29760048|Reaxys:9734901|Wikipedia:Tipifarnib phenio.json (+)-(R)-6-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methyl-2(1H)-quinolinone|(R)-6-(amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl)-4-(3-chlorophenyl)-1-methyl-2(1H)-quinolinone|6-[(R)-amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2(1H)-one|R-115777|R115777|Zarnestra|tipifarnib|tipifarnibum http://purl.obolibrary.org/obo/CHEBI_141969 3_STAR
CHEBI:141992 biolink:ChemicalSubstance 2-hydroxyflavanones Any hydroxyflavanone that has a hydroxy substituent at position 2. MetaCyc:2-Hydroxyflavanones phenio.json a 2-hydroxyflavanone http://purl.obolibrary.org/obo/CHEBI_141992 3_STAR
CHEBI:141994 biolink:ChemicalSubstance (2S)-2-hydroxynaringenin A 2,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one that has (S) configuration. Reaxys:2476057 phenio.json (2S)-2,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one|(2S)-2-hydroxynaringenin|(S)-2-hydroxynaringenin http://purl.obolibrary.org/obo/CHEBI_141994 3_STAR
CHEBI:141997 biolink:ChemicalSubstance hydroxy-L-argininium residue An L-alpha-argininium residue that is substituted by at least one hydroxy group. phenio.json hydroxy-L-arginine residue http://purl.obolibrary.org/obo/CHEBI_141997 3_STAR
CHEBI:142054 biolink:ChemicalSubstance 3-hydroxyaspartic acid residue An alpha-amino-acid residue derived from 3-hydroxyaspartic acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_142054 3_STAR
CHEBI:142057 biolink:ChemicalSubstance 3-hydroxy-L-aspartic acid residue A 3-hydroxyaspartic acid residue in which the carbon at position 2 has S configuration. phenio.json http://purl.obolibrary.org/obo/CHEBI_142057 3_STAR
CHEBI:142058 biolink:ChemicalSubstance F2-isoprostane Any isoprostane derived from the non-enzymatic, free radical oxidation of arachidonic acid. PMID:27318521|PMID:27720037|PMID:27725001|PMID:28391180|PMID:28558917|PMID:28623974|PMID:28747487|PMID:28782688|PMID:29034829|PMID:29118462|PMID:29371434|PMID:29424490|PMID:29482768|PMID:29682163|PMID:29761879|PMID:29927677|PMID:30096434|PMID:30103922 phenio.json F2 isoprostane|F2 isoprostanes|F2-isoprostanes http://purl.obolibrary.org/obo/CHEBI_142058 3_STAR
CHEBI:142077 biolink:ChemicalSubstance abediterol A quinolone that is 8-hydroxyquinolin-2(1H)-one which carries a 2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl group at position 5. It is a long acting beta2-adrenoceptor agonist currently in development for the treatment of chronic obstructive pulmonary disease (COPD) and asthma. CAS:915133-65-2|DrugBank:DB12100|KEGG:D10219|PMID:22588259|PMID:24989946|PMID:25256258|PMID:25398689|PMID:26656755|PMID:27439370|PMID:28971615|PMID:29183838|Patent:WO2006122788|Reaxys:12781197|Wikipedia:Abediterol phenio.json 5-[(1R)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl]-8-hydroxy-1,2-dihydroquinolin-2-one|5-[(1R)-2-{[6-(2,2-difluoro-2-phenylethoxy)hexyl]amino}-1-hydroxyethyl]-8-hydroxyquinolin-2(1H)-one|LAS100977|abediterol|abediterolum http://purl.obolibrary.org/obo/CHEBI_142077 3_STAR
CHEBI:142094 biolink:ChemicalSubstance (S)-S-adenosyl-L-methionine zwitterion An S-adenosyl-L-methionine zwitterion that has S-configuration; major species at pH 7.3. PMID:3530324 phenio.json (S)-S-adenosyl-L-methionine|(S,S)-AdoMet|(S,S)-AdoMet zwitterion|(S,S)-S-adenosyl-L-methionine zwitterion http://purl.obolibrary.org/obo/CHEBI_142094 3_STAR
CHEBI:142095 biolink:ChemicalSubstance sideretin (reduced form) A hydroxycoumarin that is fraxetin which has been substituted by an additional hydroxy group at positions 5. It is the primary molecule exuded by Arabidopsis thaliana roots in response to iron deficiency. PMID:29581584|Reaxys:32703925 phenio.json 5,7,8-trihydroxy-6-methoxy-2-benzopyrone|5,7,8-trihydroxy-6-methoxy-2H-chromen-2-one|5,7,8-trihydroxy-6-methoxycoumarin|sideretin (reduced form) http://purl.obolibrary.org/obo/CHEBI_142095 3_STAR
CHEBI:142106 biolink:ChemicalSubstance 5,6-dihydrouridine 5'-monophosphate(2-) A uridine 5'-phosphate that is the 5,6-dihydro derivative of uridine 5'-monophosphate; major microspecies at pH 7.3 MetaCyc:A-24-DIOXOTETRAHYDROPYRIMIDINE-D-RIBONU|PMID:14235538 phenio.json 5,6-dihydrouridine 5'-phosphate http://purl.obolibrary.org/obo/CHEBI_142106 2_STAR
CHEBI:142118 biolink:ChemicalSubstance imidazobenzodiazepine Any organic heterotricyclic compound that is any benzodiazepine which is ortho-fused with a imidazole. phenio.json imidazobenzodiazepines http://purl.obolibrary.org/obo/CHEBI_142118 3_STAR
CHEBI:142138 biolink:ChemicalSubstance 4-hydroxy-indole-3-carbonyl nitrile A member of the class of hydroxyindoles that is 1H-indol-4-ol which is substituted by a nitriloacetyl group at the 3 position. PMID:26352477 phenio.json 2-(4-hydroxy-1H-indol-3-yl)-2-keto-acetonitrile|2-(4-hydroxy-1H-indol-3-yl)-2-oxoacetonitrile|4-OH-ICN|4-hydroxy-1H-indole-3-carbonyl cyanide|4-hydroxy-alpha-oxo-1H-indole-3-acetonitrile|4-hydroxy-indole-3-carbonyl nitrile http://purl.obolibrary.org/obo/CHEBI_142138 3_STAR
CHEBI:142139 biolink:ChemicalSubstance indole-3-carbonyl nitrile A member of the class of indoles that is 1H-indole which is substituted by a nitriloacetyl group at the 3 position. PMID:26352477|PMID:29576661|Reaxys:4988806 phenio.json 1H-indol-3-yl(oxo)acetonitrile|1H-indole-3-carbonyl cyanide|ICN|indole-3-carbonyl nitrile|indolyl-3-carbonyl nitrile http://purl.obolibrary.org/obo/CHEBI_142139 3_STAR
CHEBI:14216 biolink:ChemicalSubstance erythrulose 1-phosphate KEGG:C03394 phenio.json 3,4-dihydroxy-2-oxobutyl dihydrogen phosphate|erythrulose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_14216 3_STAR
CHEBI:142163 biolink:ChemicalSubstance 24G7 epitope An antigenic epitope recognized by an anti-bilirubin monoclonal antibody designated 24G7. A substructure of bilirubin IXalpha, it is the region containing the oxo group at C-1, the methyl group at C-2, C-(4, 5, 6, 9), and N-21 and -22. phenio.json http://purl.obolibrary.org/obo/CHEBI_142163 3_STAR
CHEBI:142183 biolink:ChemicalSubstance (2S)-1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine A 1-(6-chloro-5-fluoroindol-1-yl)-propan-2-amine that has S configuration. A selective agonist for both the 5-hydroxytryptamine 2B (5-HT2B) and 5-hydroxytryptamine 2C (5-HT2C)serotonin receptor subtypes, commonly used as fumarate salt. LINCS:LSM-1601|PMID:10219979|PMID:10498829|PMID:10814735|PMID:10903970|PMID:11105935|PMID:11399662|PMID:12604698|PMID:14666118|PMID:17473916|PMID:17653111|PMID:22342986|PMID:23201361|PMID:23535834|PMID:28583411|PMID:9225301|PMID:9694950|Patent:EP655440|Reaxys:7795121|Wikipedia:Ro60-0175 phenio.json (1S)-2-(6-chloro-5-fluoroindol-1-yl)-1-methylethylamine|(2S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine|(S)-2-(6-chloro-5-fluoro-indol-1-yl)-1-methyl-ethylamine|(S)-2-(6-chloro-5-fluoroindol-1-yl)-1-methylethylamine|(S)-6-chloro-5-fluoro-alpha-methyl-1H-indole-1-ethanamine|ORG 35030|Ro 60-0175|Ro-60-0175|Ro60-0175 http://purl.obolibrary.org/obo/CHEBI_142183 3_STAR
CHEBI:142184 biolink:ChemicalSubstance 5-hydroxytryptamine 2B receptor agonist An agonist at the 5-hydroxytryptamine 2B (5-HT2B) receptor. phenio.json 5-HT2B agonist|5-HT2B agonists|5-HT2B receptor agonist|5-HT2B receptor agonists|5-hydroxytryptamine 2B receptor agonists|5-hydroxytryptamine receptor 2B agonist|5-hydroxytryptamine receptor 2B agonists|serotonin receptor 2B agonist|serotonin receptor 2B agonists http://purl.obolibrary.org/obo/CHEBI_142184 3_STAR
CHEBI:142185 biolink:ChemicalSubstance 5-hydroxytryptamine 2C receptor agonist An agonist at the 5-hydroxytryptamine 2B (5-HT2C) receptor. phenio.json 5-HT2C receptor agonist|5-HT2C receptor agonists|5-HT2c agonist|5-HT2c agonists|5-hydroxytryptamine 2C receptor agonists|5-hydroxytryptamine receptor 2C agonist|5-hydroxytryptamine receptor 2C agonists|serotonin receptor 2C agonist|serotonin receptor 2C agonists http://purl.obolibrary.org/obo/CHEBI_142185 3_STAR
CHEBI:142198 biolink:ChemicalSubstance purine 2'-deoxyribonucleoside 5'-phosphate(2-) A 2'-deoxynucleoside 5'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxy-purine ribonucleoside 5'-monophosphate; major microspecies at pH 7.3. phenio.json 2'-deoxy-purine ribonucleoside 5'-phosphate(2-)|2'-deoxypurine ribonucleoside 5'-phosphate(2-)|a purine 2'-deoxyribonucleoside 5'-phosphate http://purl.obolibrary.org/obo/CHEBI_142198 3_STAR
CHEBI:142209 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-) A pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-) obtained by deprotonation of the phosphate OH groups of pyrimidine 2'-deoxyribonucleoside 5'-phosphate; major microspecies at pH 7.3. phenio.json a pyrimidine 2'-deoxyribonucleoside 5'-phosphate http://purl.obolibrary.org/obo/CHEBI_142209 3_STAR
CHEBI:142229 biolink:ChemicalSubstance (2R)-2-hydroxynaringenin A 2,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one that has (R) configuration. Reaxys:33237761 phenio.json (2R)-2,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one|(2R)-2-hydroxynaringenin|(R)-2-hydroxynaringenin http://purl.obolibrary.org/obo/CHEBI_142229 3_STAR
CHEBI:142230 biolink:ChemicalSubstance 2,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one A tetrahydroxyflavanone carrying the hydroxy groups at positions 2, 4', 5 and 7. HMDB:HMDB0040314|MetaCyc:CPD-15074|PMID:17661332|PMID:20007684|PMID:21139272|PMID:22822204|PMID:24859082|PMID:28370711|Reaxys:7254315 phenio.json 2,3-dihydro-2,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|2,4',5,7-tetrahydroxyflavanone|2,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one|2,5,7-trihydroxy-2-(4-hydroxyphenyl)-3H-1-benzopyran-4-one|2,5,7-trihydroxy-2-(4-hydroxyphenyl)-3H-chromen-4-one|2-hydroxynaringenin http://purl.obolibrary.org/obo/CHEBI_142230 3_STAR
CHEBI:142235 biolink:ChemicalSubstance Se-L-selenocysteine-S-L-cysteine residue MetaCyc:Oxidized-PrdC-Proteins phenio.json Se-L-selenocysteine-S-L-cysteine residue http://purl.obolibrary.org/obo/CHEBI_142235 2_STAR
CHEBI:142261 biolink:ChemicalSubstance ganoderol B A tetracyclic triterpenoid that is lanosta-7,9(11),24-triene which is substituted by hydroxy groups at positions 3 and 27. It has been isolated from several Ganoderma species. CAS:104700-96-1|FooDB:FDB013983|HMDB:HMDB0035314|KNApSAcK:C00023868|PMID:11908995|PMID:12628419|PMID:17313101|PMID:17499997|PMID:21596546|PMID:23790868|PMID:28875673|PMID:28912878|PMID:29748985 phenio.json (+)-ganoderol B|(3beta,24E)-lanosta-7,9(11),24-triene-3,26-diol|ganodermadiol|ganoderol B http://purl.obolibrary.org/obo/CHEBI_142261 3_STAR
CHEBI:142279 biolink:ChemicalSubstance sesquiterpene phytoalexin A class of sesquterpenoids formed in plants in response to fungal infection, physical damage, chemical injury, or a pathogenic process. phenio.json sesquiterpene phytoalexins http://purl.obolibrary.org/obo/CHEBI_142279 3_STAR
CHEBI:142348 biolink:ChemicalSubstance hexahydronaphthalenes Any carbobycyclic compound that is an hexahydronaphthalene or a compound obtained from an hexahydronaphthalene by formal substitution of one or more hydrogens. phenio.json http://purl.obolibrary.org/obo/CHEBI_142348 3_STAR
CHEBI:142355 biolink:ChemicalSubstance purines D-ribonucleoside A purine ribonucleoside that is a purine derivative attached to a beta-D-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage. phenio.json a purine D-ribonucleoside http://purl.obolibrary.org/obo/CHEBI_142355 3_STAR
CHEBI:142361 biolink:ChemicalSubstance purines 2'-deoxy-D-ribonucleoside A purine derivative attached to a beta-D-2'-deoxy-ribofuranosyl residue at position 9 via a glycosidic (N-glycosyl) linkage. phenio.json a purine 2'-deoxy-D-ribonucleoside http://purl.obolibrary.org/obo/CHEBI_142361 2_STAR
CHEBI:142379 biolink:ChemicalSubstance Cer(d37:1) phenio.json Cer d37:1 http://purl.obolibrary.org/obo/CHEBI_142379 2_STAR
CHEBI:142389 biolink:ChemicalSubstance trans-feruloylacetyl-CoA(4-) A feruloylacetyl-CoA(4-) in which the C=C double bond of the feruloyl group has trans configuration. MetaCyc:CPD-12180 phenio.json (E)-feruloylacetyl-CoA http://purl.obolibrary.org/obo/CHEBI_142389 3_STAR
CHEBI:142398 biolink:ChemicalSubstance trans-2,4-dihydroxy-cinnamoyl-CoA(4-) MetaCyc:CPD-14010 phenio.json (E)-2,4-dihydroxycinnamoyl-CoA http://purl.obolibrary.org/obo/CHEBI_142398 2_STAR
CHEBI:142406 biolink:ChemicalSubstance omega-conotoxin MVIIA A heterodetic cyclic polypeptide consisting of the linear sequence Cys-Lys-Gly-Lys-Gly-Ala-Lys-Cys-Ser-Arg-Leu-Met-Tyr-Asp-Cys-Cys-Thr-Gly-Ser-Cys-Arg-Ser-Gly-Lys-Cys-NH2 with three disulfide bridges between cysteine residues 1-16, 8-20 and 15-25. A neuronal N-type Ca(2+) channel blocker in mammalian and amphibian brain, it blocks release of GABA and glutamate at neuronal synapses. Used as a probe for calcium channel receptors, it is selective for different receptor subtypes. A synthetic form, named ziconotide, is an atypical analgesic agent for the amelioration of severe and chronic pain. CAS:107452-89-1|Drug_Central:2878|PMID:16503054|PMID:17207931|PMID:24397285|PMID:26662374|PMID:26861472|PMID:28648727|PMID:29440821|PMID:29635804|PMID:30137539|PMID:30206508 phenio.json SNX-111|omega-Conopeptide MVIIA (Conus)|ziconotide http://purl.obolibrary.org/obo/CHEBI_142406 3_STAR
CHEBI:142409 biolink:ChemicalSubstance S-alkyl-L-cysteine S-oxide zwitterion An amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of any S-alkyl-L-cysteine S-oxide; major microspecies at pH 7.3. KEGG:C03726|MetaCyc:S-Alkyl-L-Cysteine-S-Oxides phenio.json an S-alkyl-L-cysteine S-oxide http://purl.obolibrary.org/obo/CHEBI_142409 3_STAR
CHEBI:142410 biolink:ChemicalSubstance guanosine 3'-diphosphate 5'-triphosphate hexaanion A ribonucleoside triphosphate oxoanion that is the hexaanion of guanosine 3'-diphosphate 5'-triphosphate; major species at pH 7.3. phenio.json 3'-O-{[(hydroxyphosphinato)oxy]phosphinato}-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)guanosine|guanosine 3'-diphosphate 5'-triphosphate|guanosine 3'-diphosphate 5'-triphosphate hexaanion|guanosine 3'-diphosphate 5'-triphosphate(6-) http://purl.obolibrary.org/obo/CHEBI_142410 3_STAR
CHEBI:142418 biolink:ChemicalSubstance vibegron A pyrrolopyrimidine obtained by formal condensation of the carboxy group of (6S)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid with the amino group of (R)-[(2R,5S)-5-(4-aminobenzyl)pyrrolidin-2-yl](phenyl)methanol. It is a beta3-adrenergic receptor agonist currently in clinical development for the treatment of patients with overactive bladder. CAS:1190389-15-1|KEGG:D10433|PMID:26709102|PMID:27965369|PMID:29366513|PMID:29752752|Pubchem:44472635|Reaxys:19541234 phenio.json (6S)-N-[4-({(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl}methyl)phenyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide|Beova|MK-4618|vibegron|vibegronum http://purl.obolibrary.org/obo/CHEBI_142418 3_STAR
CHEBI:142422 biolink:ChemicalSubstance gamma-carboxy-L-glutamate(3-) A tricarboxylic acid trianion obtained by the deprotonation of the three carboxy groups of gamma-carboxy-L-glutamic acid. phenio.json (3S)-3-aminopropane-1,1,3-tricarboxylate http://purl.obolibrary.org/obo/CHEBI_142422 3_STAR
CHEBI:142430 biolink:ChemicalSubstance lificiguat A member of the class of indazoles that is 1H-indazole which is substituted by a benzyl group at position 1 and a 5-(hydroxymethyl)-2-furyl group at position 3. It is an activator of soluble guanylate cyclase and inhibits platelet aggregation. CAS:170632-47-0|PMID:10369473|PMID:11687640|PMID:20513359|PMID:21665942|PMID:24265542|PMID:27498367|PMID:27938560|PMID:28978999|PMID:28983668|PMID:29156788|PMID:29441848|PMID:29512783|PMID:30250592|PMID:7527671|PMID:9059849|PMID:9443939|Reaxys:8006642 phenio.json 1-benzyl-3-(5-hydroxymethyl-2-furyl)indazole|3-(5'-hydroxymethyl-2'-furyl)-1-benzylindazole|YC-1|[5-(1-benzyl-1H-indazol-3-yl)-2-furyl]methanol|lificiguat|lificiguatum http://purl.obolibrary.org/obo/CHEBI_142430 3_STAR
CHEBI:142431 biolink:ChemicalSubstance praliciguat A member of the class of pyrazoles that is 5-fluoro-2-(1H-pyrazol-3-yl)pyrimidine which is substituted by a 2-fluorobenzyl group at position 1, 1,2-oxazol-3-yl group at position 5, and by a [3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]nitrilo group at position 4. It is a soluble guanylate cyclase stimulator under clinical development for the treatment of heart failure with preserved ejection fraction. CAS:1628730-49-3|PMID:29281143|PMID:29643251|Patent:WO2014144100|Patent:WO2017095697|Reaxys:27468841 phenio.json 1,1,1,3,3,3-hexafluoro-2-[({5-fluoro-2-[1-(2-fluorobenzyl)-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]pyrimidin-4-yl}amino)methyl]propan-2-ol|IW-1973|praliciguat|praliciguatum http://purl.obolibrary.org/obo/CHEBI_142431 3_STAR
CHEBI:142432 biolink:ChemicalSubstance vericiguat A pyrazolopyridine that is 5-fluoro-1H-pyrazolo[3,4-b]pyridine in which the amino hydrogen at position 1 has been substituted by a 2-fluorobenzyl group and the hydrogen at position 3 has been substituted by a 4,6-diamino-5-[(methoxycarbonyl)amino]pyrimidin-2-yl group. It is a soluble guanylate cyclase stimulator which is used for treatment of chronic heart failure. CAS:1350653-20-1|KEGG:D11051|PMCID:PMC4565100|PMID:24092345|PMID:25056511|PMID:25737289|PMID:26547357|PMID:28369340|PMID:28557445|PMID:29032136|Patent:US2012022084|Reaxys:22098890 phenio.json BAY-1021189|BAY1021189|MK-1242|methyl N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate|methyl {4,6-diamino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl}carbamate|vericiguat|vericiguatum http://purl.obolibrary.org/obo/CHEBI_142432 3_STAR
CHEBI:142433 biolink:ChemicalSubstance cinaciguat A benzoic acid that is 4-(aminomethyl)benzoic acid in which the amino group is substituted by 4-carboxybutyl and 2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl groups. It is a soluble guanylate cyclase activator, used for the treatment of acute decompensated heart failure. CAS:329773-35-5|KEGG:D07577|PDBeChem:Z90|PMID:18779378|PMID:20067336|PMID:20463019|PMID:20730699|PMID:21856817|PMID:21868716|PMID:22474005|PMID:22713287|PMID:23144773|PMID:24090476|PMID:25200007|PMID:26520063|PMID:27122537|PMID:27853261|PMID:28894114|PMID:29138269|PMID:29653192|Patent:US2012010292|Reaxys:9676935|Wikipedia:Cinaciguat phenio.json 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid|BAY 58-2667|BAY582667|cinaciguat|cinaciguatum http://purl.obolibrary.org/obo/CHEBI_142433 3_STAR
CHEBI:142435 biolink:ChemicalSubstance BAY 41-2272 A pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted by a 2-fluorobenzyl group at position 1 and by a 4-amino-5-cyclopropylpyrimidin-2-yl group at position 3. It is an activator of soluble guanylate cyclase. CAS:256376-24-6|PMID:11242081|PMID:19188837|PMID:20828552|PMID:20977455|PMID:21825001|PMID:22044316|PMID:22575520|PMID:22634166|PMID:24231204|PMID:25230878|PMID:25740897|PMID:25742266|PMID:26760319|PMID:26873974|PMID:27131967|PMID:27895434|PMID:29461815|Patent:US6833364|Reaxys:8867995 phenio.json 5-cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine|5-cyclopropyl-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine|BAY 41-2272|BAY-41-2272|BAY-412272 http://purl.obolibrary.org/obo/CHEBI_142435 3_STAR
CHEBI:142437 biolink:ChemicalSubstance lepirudin A heterodetic cyclic peptide composed of 65 amino acids joined in sequence and cyclised by three disulfide bridges between cysteine residues 6-14, 16-28 and 22-39. It is a highly specific inhibitor of thrombin and used as an anticoagulant in patients with heparin-induced thrombocytopenia. CAS:138068-37-8|DrugBank:DB00001|Drug_Central:2995|KEGG:D06880|PMID:15280202|PMID:19707378|PMID:22234363|PMID:28600720|PMID:29426286|PMID:8211886|Pubchem:118856773|Wikipedia:Lepirudin phenio.json 1-Leu-2-Thr-63-desulfohirudin|H-Leu-Thr-Tyr-Thr-Asp-Cys(1)-Thr-Glu-Ser-Gly-Gln-Asn-Leu-Cys(1)-Leu-Cys(2)-Glu-Gly-Ser-Asn-Val-Cys(3)-Gly-Gln-Gly-Asn-Lys-Cys(2)-Ile-Leu-Gly-Ser-Asp-Gly-Glu-Lys-Asn-Gln-Cys(3)-Val-Thr-Gly-Glu-Gly-Thr-Pro-Lys-Pro-Gln-Ser-His-Asn-Asp-Gly-Asp-Phe-Glu-Glu-Ile-Pro-Glu-Glu-Tyr-Leu-Gln-OH|Hbw 023|Hbw-023|L-leucyl-L-threonyl-L-tyrosyl-L-threonyl-L-alpha-aspartyl-L-cysteinyl-L-threonyl-L-alpha-glutamyl-L-seryl-glycyl-L-glutaminyl-L-asparagyl-L-leucyl-L-cysteinyl-L-leucyl-L-cysteinyl-L-alpha-glutamyl-glycyl-L-seryl-L-asparagyl-L-valyl-L-cysteinyl-glycyl-L-glutaminyl-glycyl-L-asparagyl-L-lysyl-L-cysteinyl-L-isoleucyl-L-leucyl-glycyl-L-seryl-L-alpha-aspartyl-glycyl-L-alpha-glutamyl-L-lysyl-L-asparagyl-L-glutaminyl-L-cysteinyl-L-valyl-L-threonyl-glycyl-L-alpha-glutamyl-glycyl-L-threonyl-L-prolyl-L-lysyl-L-prolyl-L-glutaminyl-L-seryl-L-histidyl-L-asparagyl-L-alpha-aspartyl-glycyl-L-alpha-aspartyl-L-phenylalanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-isoleucyl-L-prolyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-L-leucyl-L-glutamine (6->14),(16->28),(22->39)-tris(disulfide)|LTYTDCTESGQNLCLCEGSNVCGQGNKCILGSDGEKNQCVTGEGTPKPQSHNDGDFEEIPEEYLQ|LTYTDCTESGQNLCLCEGSNVCGQGNKCILGSDGEKNQCVTGEGTPKPQSHNDGDFEEIPEEYLQ (disulfide bridge: 6->14; 16->28; 22->39)|NH2-LTYTDCTESGQNLCLCEGSNVCGQGNKCILGSDGEKNQCVTGEGTPKPQSHNDGDFEEIPEEYLQ-OH|Refludan|[Leu1, Thr2]-63-desulfohirudin|hirudin variant-1|lepirudin|lepirudin (rDNA)|lepirudin recombinant http://purl.obolibrary.org/obo/CHEBI_142437 3_STAR
CHEBI:142452 biolink:ChemicalSubstance dabuzalgron A sulfonamide that is N-phenylmethanesulfonamide which carries a chloro group at position 2, 4,5-dihydro-1H-imidazol-2-ylmethoxy group at position 5, and a methyl group at position 6. Its is a selective alpha-adrenoceptor agonist that is used in the treatment of urinary incontinence. CAS:219311-44-1|PMID:14678373|PMID:14678390|PMID:15142177|PMID:15180647|PMID:24024968|PMID:28286875|Patent:EP0887346|Reaxys:13257747 phenio.json N-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide|Ro 115-1240|dabuzalgron|dabuzalgronum http://purl.obolibrary.org/obo/CHEBI_142452 3_STAR
CHEBI:142460 biolink:ChemicalSubstance alpha-D-Glcp-(1->2)-D-Glcp A glycosylglucose in which an alpha-D-glucopyranose residue is linked to a D-glucopyranose residue by a (1->2) glycosidic bond. GlyTouCan:G20742IJ|KEGG:C15548|MetaCyc:CPD-16569|PMID:24391053|PMID:26344377|PMID:28664731|PMID:29448943|PMID:29684280|PMID:30807133 phenio.json 2-O-alpha-D-glucopyranosyl-D-glucopyranose|alpha-D-Glc-(1->2)-D-Glc|alpha-D-glucopyranosyl-(1->2)-D-glucopyranose|alpha-D-glucosyl-(1->2)-D-glucose|kojibiose http://purl.obolibrary.org/obo/CHEBI_142460 3_STAR
CHEBI:142464 biolink:ChemicalSubstance 8beta-hydroxygermacra-1(10),4,11(13)-trien-12-oate MetaCyc:CPD-16701|PMID:29086444|PMID:29758164 phenio.json 8beta-hydroxygermacra-1(10),4,11(13)-trien-12-oate http://purl.obolibrary.org/obo/CHEBI_142464 2_STAR
CHEBI:142482 biolink:ChemicalSubstance 3'-hydro-2'-hydroxy-beta-oxodihydrochalcone The closest compound in MetaCyc is Open-tautomer-2-hydroxyflavanones, but this compound includes two additional OH groups phenio.json a 3'-hydro-2'-hydroxy-beta-oxodihydrochalcone http://purl.obolibrary.org/obo/CHEBI_142482 2_STAR
CHEBI:142483 biolink:ChemicalSubstance 3'-(beta-D-glucopyranosyl)-2'-hydroxy-beta-oxodihydrochalcone The closest compound in MetaCyc is '3-C-gluc-tautomer-2-hydroxyflavanones', but this compound includes two additional OH groups phenio.json a 3'-(beta-D-glucopyranosyl)-2'-hydroxy-beta-oxodihydrochalcone http://purl.obolibrary.org/obo/CHEBI_142483 2_STAR
CHEBI:142508 biolink:ChemicalSubstance beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-yl group A tetrasaccharide beta-D-glucosyl group obtained by removal of the hydroxy group from the hemiacetal function of beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose. PMID:7691279 phenio.json Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-R|beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-yl|beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl|beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl http://purl.obolibrary.org/obo/CHEBI_142508 3_STAR
CHEBI:142510 biolink:ChemicalSubstance isonocardicin A zwitterion An L-alpha-amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of isonocardicin A. phenio.json (2S)-2-ammonio-4-{4-[(1Z)-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenoxy}butanoate http://purl.obolibrary.org/obo/CHEBI_142510 3_STAR
CHEBI:142512 biolink:ChemicalSubstance poly[(1''->2')-ADP-alpha-D-ribose] PMID:21498885 phenio.json [(1''->2')-ADP-alpha-D-ribose]n http://purl.obolibrary.org/obo/CHEBI_142512 2_STAR
CHEBI:142513 biolink:ChemicalSubstance oxime anion A organic ion resulting from the deprotonation of the hydroxy group of any oxime. phenio.json oximate|oximates|oxime anion|oxime anions http://purl.obolibrary.org/obo/CHEBI_142513 3_STAR
CHEBI:142514 biolink:ChemicalSubstance ->8)-alpha-Neu5Ac-(2->3)-[beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)]-beta-D-Gal-(1->4)-yl group An organic group forming part of, and a proposed epitope within, ganglioside GM1. The ->8) linkage to Neu5Ac may represent an additional alpha2->8-linked sialic acid residue, while the -(1->4)-yl may represent -(1->4)-glucosyl. PMID:7691279 phenio.json ->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-glycosyl|->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosyl-(1->4)]-beta-D-galactosyl-(1->4)-yl|Galbeta1-3GalNAcbeta1-4(R'-NeuAcalpha2-3)Galbeta1-4-R"|R'-alpha-Neu5Ac-(2->3)-[beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)]-beta-D-Gal-(1->4)-R" http://purl.obolibrary.org/obo/CHEBI_142514 3_STAR
CHEBI:142515 biolink:ChemicalSubstance 6-N-(ADP-D-ribosyl)-L-lysinium(1-) residue An organic anionic group derived from 6-N-(ADP-D-ribosyl)-L-lysine residue. PMID:25043379 phenio.json N(6)-(ADP-D-ribosyl)-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_142515 2_STAR
CHEBI:142517 biolink:ChemicalSubstance tschimganine A benzoate ester resulting from the formal condensation of the carboxy group of vanillic acid with the hydroxy group of (-)-borneol. A metabolite isolated from Ferula dissecta. PMID:20350297|PMID:21589808|PMID:23521895|PMID:29900664|PMID:29912155|PMID:35416247|Reaxys:26876325 phenio.json (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 4-hydroxy-3-methoxybenzoate|chimganin|tschimganin|tschimganine http://purl.obolibrary.org/obo/CHEBI_142517 3_STAR
CHEBI:142518 biolink:ChemicalSubstance beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-yl group A trisaccharide beta-D-glucosyl group consisting of N-acetyl-beta-D-galactosaminyl, beta-D-galactosyl, and (at the reducing end) beta-D-glucosyl residues connected via (1->4) linkages. PMID:7691279 phenio.json 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl|GalNAcbeta1-4Galbeta1-4Glcbeta-R|N-acetyl-beta-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl|beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-yl http://purl.obolibrary.org/obo/CHEBI_142518 3_STAR
CHEBI:142522 biolink:ChemicalSubstance beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-R group An organic group forming part of, and a proposed epitope within, ganglioside GD2. The -(1->4)-R in the name may represent -(1->4)-glucosyl. PMID:7691279 phenio.json 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)]-beta-D-galactopyranosyl-(1->4)-R|GalNacbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4-R|GalNacbeta1->-4(NeuAcalpha2->8NeuAcalpha2->3)Galbeta1->4-R|N-acetyl-beta-D-galactosaminyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosyl-(2->3)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulosyl-(2->3)]-beta-D-galactosyl-(1->4)-R|N-acetyl-beta-D-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-R|beta-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)]-beta-Galp-(1->4)-R http://purl.obolibrary.org/obo/CHEBI_142522 3_STAR
CHEBI:142525 biolink:ChemicalSubstance 3-hydroxybutane-1,2,3-tricarboxylic acid A tricarboxylic acid that is butan-2-ol in which a hydrogen from each of positions 2, 3, and 4 has been replaced by carboxy groups. Reaxys:1712822 phenio.json 3-carboxy-2,3-dideoxy-4-C-methylpentaric acid|3-hydroxybutane-1,2,3-tricarboxylic acid|alpha-methylisocitric acid http://purl.obolibrary.org/obo/CHEBI_142525 3_STAR
CHEBI:142527 biolink:ChemicalSubstance ajmalicine(1+) An ammonium ion resulting from the protonation of the tertiary amino group of ajmalicine. The major species at pH 7.3. phenio.json (19alpha)-16-(methoxycarbonyl)-19-methyl-16,17-didehydro-18-oxayohimban-4-ium|ajmalicine http://purl.obolibrary.org/obo/CHEBI_142527 3_STAR
CHEBI:142531 biolink:ChemicalSubstance serpentine(1+) An organic cation that is the conjugate acid of serpentine. It is the major species at pH 7.3. phenio.json serpentine http://purl.obolibrary.org/obo/CHEBI_142531 3_STAR
CHEBI:142532 biolink:ChemicalSubstance alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp-yl group A tetrasaccharide beta-D-glucosyl group obtained by removing the hydroxy group from the hemiacetal function of alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose. Part of (and a proposed epitope within) gangliosides GD1b, GD2, GD3, GT1band GQ1b. PMID:7691279 phenio.json 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl|N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl|NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4Glcbeta-R|alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl|alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-yl http://purl.obolibrary.org/obo/CHEBI_142532 3_STAR
CHEBI:142533 biolink:ChemicalSubstance ->4)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-yl group An organic group forming part of, and a proposed epitope within, globoside GM1. PMID:7691279 phenio.json ->4)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-yl|->4)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-yl group|->4)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosylp-(1->4)-beta-D-glucopyranosyl|->4)-alpha-D-galactosyl-(1->4)-beta-D-galactosylp-(1->4)-beta-D-glucosyl http://purl.obolibrary.org/obo/CHEBI_142533 3_STAR
CHEBI:142540 biolink:ChemicalSubstance 5-O-(ADP-D-ribosyl)-L-glutamate(2-) residue An organic anionic group derived from 5-O-(ADP-D-ribosyl)-L-glutamate residue PMID:25043379 phenio.json 5-O-(ADP-D-ribosyl)-L-glutamate residue http://purl.obolibrary.org/obo/CHEBI_142540 2_STAR
CHEBI:142544 biolink:ChemicalSubstance tamsulosin(1+) A secondary ammonium ion resulting from the protonation of the secondary amino group of tamsulosin. The major species at pH 7.3. phenio.json (2R)-N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxy-3-sulfamoylphenyl)propan-2-aminium http://purl.obolibrary.org/obo/CHEBI_142544 3_STAR
CHEBI:142546 biolink:ChemicalSubstance 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide A secondary amino compound that is ammonia in which nitrogen is substituted by a 1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl group and a 2-(2-ethoxyphenoxy)ethyl group. PMID:2891044 phenio.json 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide|5-(2-{[2-(o-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide http://purl.obolibrary.org/obo/CHEBI_142546 3_STAR
CHEBI:142548 biolink:ChemicalSubstance ent-tamsulosin A 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide that has (S)-configuration. The enantiomer of tamsulosin. CAS:106138-88-9|PMID:2891044|Reaxys:6896058 phenio.json (+)-tamsulosin|(S)-(+)-tamsulosin|(S)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide|(S)-tamsulosin http://purl.obolibrary.org/obo/CHEBI_142548 3_STAR
CHEBI:142549 biolink:ChemicalSubstance ent-tamsulosin(1+) A secondary ammonium ion resulting from the secondary amino group of ent-tamsulosin. The major species at pH 7.3. phenio.json (+)-tamsulosin(1+)|(2S)-N-[2-(2-ethoxyphenoxy)ethyl]-1-(4-methoxy-3-sulfamoylphenyl)propan-2-aminium|(S)-(+)-tamsulosin(1+)|(S)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-2-methoxybenzenesulfonamide(1+)|(S)-tamsulosin(1+) http://purl.obolibrary.org/obo/CHEBI_142549 3_STAR
CHEBI:142554 biolink:ChemicalSubstance N(omega)-(ADP-D-ribosyl)-L-argininium(1-) residue An L-alpha-amino acid residue derived from N(omega)-(ADP-D-ribosyl)-L-arginine. MetaCyc:CPD-557 phenio.json N(omega)-(ADP-D-ribosyl)-L-arginine residue http://purl.obolibrary.org/obo/CHEBI_142554 2_STAR
CHEBI:142556 biolink:ChemicalSubstance O-(ADP-D-ribosyl)-L-serine(2-) residue An organic anionic group obtained by deprotonation of the diphosphate OH groups of O-(ADP-D-ribosyl)-L-serine residue. PMID:27067600 phenio.json O-(ADP-D-ribosyl)-L-serine residue http://purl.obolibrary.org/obo/CHEBI_142556 2_STAR
CHEBI:142557 biolink:ChemicalSubstance O-(ADP-D-ribosyl)-L-tyrosine(2-) residue An organic anionic group obtained by deprotonation of the diphosphate OH groups of O-(ADP-D-ribosyl)-L-tyrosine residue. PMID:30257210 phenio.json O-(ADP-D-ribosyl)-L-tyrosine residue http://purl.obolibrary.org/obo/CHEBI_142557 2_STAR
CHEBI:142558 biolink:ChemicalSubstance C-terminal O-(ADP-D-ribosyl)-glycine(2-) residue An organic anionic group obtained by deprotonation of the diphosphate OH groups of C-terminal O-(ADP-D-ribosyl)-glycine residue. phenio.json C-terminal O-(ADP-D-ribosyl)-glycine residue http://purl.obolibrary.org/obo/CHEBI_142558 2_STAR
CHEBI:142567 biolink:ChemicalSubstance alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-yl group A trisaccharide beta-D-glucosyl group obtained by removal of the hydroxy group from the hemiacetal function of alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose. Part of, and the proposed epitope from, alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide (globoside Gb3Cer; globotriosylceramide; CTH). PMID:33643275|PMID:7691279 phenio.json Gala1-4Galb1-4Glcb-yl|Galalpha1-4Galbeta1-4Glcbeta-R|Galalpha1-4Galbeta1-4Glcbeta-yl|alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-D-Glc-yl|alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl|alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl http://purl.obolibrary.org/obo/CHEBI_142567 3_STAR
CHEBI:142571 biolink:ChemicalSubstance alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-yl group A branched trisaccharide beta-D-galactosyl group obtained by removal of the hydroxy group from the hemiacetal function of N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactose. Part of, and the proposed epitope of, blood group A antigen. PMID:7691279 phenio.json 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl|2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-beta-D-galactopyranosyl|2-acetamido-2-deoxy-alpha-D-galactosyl-(1->3)-[6-deoxy-alpha-L-galactosyl-(1->2)]-beta-D-galactosyl|GalNAcalpha1-3(Fucalpha1-2)Gal-R|GalNAcalpha1-3(Fucalpha1-2)Galbeta-R|alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-yl|alpha-D-N-acetylgalactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl|alpha-L-Fuc-(1->2)-[alpha-D-GalNAc-(1->3)]-beta-D-Gal-yl|alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-beta-D-Galp-yl|alpha-L-fucosyl-(1->2)-[alpha-D-N-acetylgalactosaminyl-(1->3)]-beta-D-galactosyl|alphaGalNAc1->3(alphaFuc1->2)betaGal-yl http://purl.obolibrary.org/obo/CHEBI_142571 3_STAR
CHEBI:142573 biolink:ChemicalSubstance alpha-L-Fucp-(1->2)-(1->3)-[alpha-D-Galp]-beta-D-Galp-yl group A branched trisaccharide beta-D-galactosyl group obtained by removal of the hydroxy group from the hemiacetal function of alpha-L-fucosyl-(1->2)-[alpha-D-galactosyl-(1->3)]-beta-D-galactose. Part of, and the proposed epitope of, blood group B antigen. PMID:7691279 phenio.json Galalpha1-3(Fucalpha1-2)Gal-R|Galalpha1-3(Fucalpha1-2)Galbeta-R|alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-yl|alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-beta-D-galactopyranosyl|alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl|alpha-D-galactosyl-(1->3)-[6-deoxy-alpha-L-galactosyl-(1->2)]-beta-D-galactosyl|alpha-L-Fuc-(1->2)-[alpha-D-Gal-(1->3)]-beta-D-Gal-yl|alpha-L-Fucp-(1->2)-[alpha-D-Galp-(1->3)]-beta-D-Galp-yl|alpha-L-fucopyranosyl-(1->2)-[alpha-D-galactopyranosyl-(1->3)]-beta-D-galactopyranosyl|alpha-L-fucosyl-(1->2)-[alpha-D-galactosyl-(1->3)]-beta-D-galactosyl|alphaGal1->3(alphaFuc1->2)betaGal-yl http://purl.obolibrary.org/obo/CHEBI_142573 3_STAR
CHEBI:142587 biolink:ChemicalSubstance N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide phenio.json beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer|beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-ceramide http://purl.obolibrary.org/obo/CHEBI_142587 2_STAR
CHEBI:142590 biolink:ChemicalSubstance 3-aminoisobutanoic acid zwitterion Zwitterionic form of 3-aminoisobutyric acid arising from migration of a proton from the carboxy group to the amino group; major species at pH 7.3. phenio.json 3-aminoisobutanoate|3-ammonio-2-methylpropanoate|3-azaniumyl-2-methylpropanoate http://purl.obolibrary.org/obo/CHEBI_142590 3_STAR
CHEBI:142593 biolink:ChemicalSubstance 4-hydroxynonenal A monounsaturated fatty aldehyde that is nonanal that has undergone dehydrogenation to introduce a double bond at any position in the aliphatic chain and in which a hydrogen at position 4 has been replaced by a hydroxy group. PMID:15865448 phenio.json a 4-hydroxynonenal http://purl.obolibrary.org/obo/CHEBI_142593 3_STAR
CHEBI:14261 biolink:ChemicalSubstance feruloyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of ferulic acid. PMID:11038271|PMID:19258320|Reaxys:7683383 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|4-hydroxy-3-methoxycinnamoyl-CoA|4-hydroxy-3-methoxycinnamoyl-coenzyme A|feruloyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_14261 3_STAR
CHEBI:142614 biolink:ChemicalSubstance 5-guanidinohydantoin An imidazolidine-2,4-dione substituted by a guanidino group at position 5. CAS:104184-01-2|PMID:26582419|PMID:26733197|PMID:27818219|PMID:28514164|PMID:28845978|PMID:29185758|PMID:29490132|PMID:30688445 phenio.json (2,5-dioxo-4-imidazolidinyl)guanidine|1-(2,5-dioxoimidazolidin-4-yl)guanidine|5-(amidinoamino)imidazolidine-2,4-dione|5-guanidinoimidazolidine-2,4-dione|N-(2,5-dioxoimidazolidin-4-yl)guanidine|guanidinohydantoin http://purl.obolibrary.org/obo/CHEBI_142614 3_STAR
CHEBI:142621 biolink:ChemicalSubstance medium-chain fatty aldehyde Any fatty aldehyde with a chain length between C6 and C12. MetaCyc:Medium-Chain-Aldehydes phenio.json a medium-chain fatty aldehyde|medium-chain fatty aldehydes http://purl.obolibrary.org/obo/CHEBI_142621 3_STAR
CHEBI:142622 biolink:ChemicalSubstance primary fatty alcohol Any fatty alcohol in which the hydroxy group is attached to a methylene (CH2) group. phenio.json a primary fatty alcohol|primary fatty alcohol|primary fatty alcohols http://purl.obolibrary.org/obo/CHEBI_142622 3_STAR
CHEBI:142623 biolink:ChemicalSubstance spiroiminodihydantoin An azaspiro compound that is 1,3,6,8-tetraazaspiro[4.4]non-6-ene which is substituted by oxo groups at positions 2, 4, and 9. Both enantiomers are highly mutagenic products resulting from the oxidation of guanine and 8-oxo-7,8-dihydroguanine in DNA by reactive oxygen species. PMID:15540949|PMID:17915881|PMID:19146379|PMID:19485408|PMID:20014751|PMID:23360616|PMID:24649945|PMID:26572218|PMID:26807878|PMID:27074396|PMID:28230976|PMID:28514164|PMID:28845978|PMID:30592213 phenio.json 7-amino-1,3,6,8-tetraazaspiro[4.4]non-6-ene-2,4,9-trione http://purl.obolibrary.org/obo/CHEBI_142623 3_STAR
CHEBI:142638 biolink:ChemicalSubstance nectriapyrones Any member of the class of 2-pyranones that is nectriapyrone and its derivatives. They are produced mainly by symbiotic fungi, including endophytes and plant pathogens. PMID:26001271|PMID:29621598|PMID:30443971 phenio.json http://purl.obolibrary.org/obo/CHEBI_142638 3_STAR
CHEBI:142676 biolink:ChemicalSubstance ribozinoindole-1 A triazinoindole that is 5H-[1,2,4]triazino[5,6-b]indole which is substituted at position 3 by a (2-methylprop-2-en-1-yl)thio group. A potent inhibitor of midasin which is an essential protein for eukaryotic ribosome biogenesis. CAS:328023-11-6|PMID:27667686|PMID:30318141 phenio.json 3-((2-methylallyl)thio)-5H-[1,2,4]triazino[5,6-b]indole|3-(2-methylprop-2-enylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole|3-[(2-methyl-2-propenyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole|3-[(2-methylprop-2-en-1-yl)thio]-5H-[1,2,4]triazino[5,6-b]indole|Rbin-1|ribozinoindole-1 http://purl.obolibrary.org/obo/CHEBI_142676 3_STAR
CHEBI:142677 biolink:ChemicalSubstance triazinoindole Any heterotricyclic compound whose skeleton consists of an indole fused to a triazine ring. phenio.json triazinoindole|triazinoindoles http://purl.obolibrary.org/obo/CHEBI_142677 3_STAR
CHEBI:14268 biolink:ChemicalSubstance flavonol 3-O-glycoside Any glycosyloxyflavone that consists of a flavonol attached to a glycosyl residue at position 3 via a glycosidic linkage. phenio.json a flavonol 3-O-glycoside|flavonol 3-O-glycoside|flavonol 3-O-glycosides http://purl.obolibrary.org/obo/CHEBI_14268 3_STAR
CHEBI:142686 biolink:ChemicalSubstance aldehydo-D-glucuronate A D-glucuronate resulting from the deprotonation of the carboxy group of aldehydo-D-glucuronic acid; the major species at pH 7.3. phenio.json aldehydo-D-glucuronate http://purl.obolibrary.org/obo/CHEBI_142686 3_STAR
CHEBI:1427 biolink:ChemicalSubstance 3-(3-hydroxyphenyl)propanoic acid A monocarboxylic acid that is propionic acid carrying a 3-hydroxyphenyl substituent at C-3. CAS:621-54-5|HMDB:HMDB0000375|KEGG:C11457|MetaCyc:3-HYDROXYPHENYL-PROPIONATE|PMID:19537710|Reaxys:1947445 phenio.json 3-(3-Hydroxy-phenyl)-propanoic acid|3-(3-hydroxyphenyl)propanoic acid|3-(3-hydroxyphenyl)propionic acid|3-(m-hydroxyphenyl)propionic acid|Dihydro-3-coumaric acid|beta-(m-hydroxyphenyl)propionic acid http://purl.obolibrary.org/obo/CHEBI_1427 3_STAR
CHEBI:142708 biolink:ChemicalSubstance tigecycline(1+) An ammonium ion that is the conjugate acid of tigecycline; major species at pH 7.3. MetaCyc:CPD-19260|PMID:16128584 phenio.json (1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate|tigecycline http://purl.obolibrary.org/obo/CHEBI_142708 3_STAR
CHEBI:14272 biolink:ChemicalSubstance fluoroacetaldehyde An aldehyde that is acetaldehyde in which one of the hydrogens of the methyl group is replaced by fluorine. CAS:1544-46-3|KEGG:C15488|MetaCyc:CPD-12708|PMID:11571203|PMID:12738270|PMID:1637660|PMID:1671927|PMID:7742593|Reaxys:1734626 phenio.json fluoroacetaldehyde http://purl.obolibrary.org/obo/CHEBI_14272 3_STAR
CHEBI:142734 biolink:ChemicalSubstance N-acyl hemiaminal An organic hydroxy compound resulting from the formal addition of the amino group of a carboxamide to the carbonyl group of an aldehyde or ketone. phenio.json N-acyl hemiaminals http://purl.obolibrary.org/obo/CHEBI_142734 3_STAR
CHEBI:142738 biolink:ChemicalSubstance tau aggregation inhibitor A chemical that inhibits the aggregation of the tau protein (HGNC:MAPT) and its distinct morphological forms (e.g. paired helical fragments (PHFs), straight filaments (SFs), oligomers, or larger aggregates). PMID:19164903|PMID:19189357|PMID:20149808|PMID:23484434|PMID:24072703|PMID:25387336|PMID:26809554|PMID:27975248|Wikipedia:Tau_protein phenio.json TAI|tau aggregation inhibitor|tau aggregation inhibitors|tau protein aggregation inhibitor|tau protein aggregation inhibitors|tau-aggregation inhibitor|tau-aggregation inhibitors http://purl.obolibrary.org/obo/CHEBI_142738 3_STAR
CHEBI:142767 biolink:ChemicalSubstance alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-yl group A beta-D-glucosyl group derived from the trisaccharide N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose. Implied reactive epitope within ganglioside GM3. PMID:7534889 phenio.json 3'-sialyllactosyl|5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl|Neu5Acalpha2-3Galbeta1-4Glcbeta-yl|alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl|alpha-Neu5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp-yl http://purl.obolibrary.org/obo/CHEBI_142767 3_STAR
CHEBI:142768 biolink:ChemicalSubstance C-terminal Xaa-(2S)-hydroxyglycino(1-) residue A C-terminal Xaa-hydroxyglycino(1-) residue in which the 2-hydroxy group has S stereochemistry. PMID:10504734|PMID:19604476 phenio.json C-terminal Xaa-(2S)-2-hydroxyglycine residue|C-terminal Xaa-(2S)-hydroxyglycino residue http://purl.obolibrary.org/obo/CHEBI_142768 2_STAR
CHEBI:142773 biolink:ChemicalSubstance estetrol A 3-hydroxy steroid that is 17beta-estradiol which has been substituted at the 15alpha and 16alpha positions by two additional hydroxy groups. It is a natural estrogen produced exclusively during pregnancy by the fetal liver. CAS:15183-37-6|DrugBank:DB12235|PDBeChem:4OH|PMID:1222727|PMID:18462934|PMID:18464016|PMID:18464023|PMID:19167495|PMID:23992378|PMID:25079370|PMID:25961355|PMID:26212489|PMID:27799463|PMID:28267365|PMID:28364860|PMID:28371720|PMID:28641030|PMID:28827141|PMID:29928930|PMID:29931320|PMID:30308312|PMID:4003113|PMID:545977|Patent:EP2383279|Wikipedia:Estetrol phenio.json (15alpha,16alpha,17beta)-estra-1(10),2,4-triene-3,15,16,17-tetrol|(8R,9S,13S,14S,15R,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,15,16,17-tetrol|15alpha-hydroxyestriol|3,15alpha,16alpha,17beta-tetrahydroxyestra-1,3,5(10)-triene|Donesta|estetrol|estetrolum|estra-1(10),2,4-triene-3,15alpha,16alpha,17beta-tetrol|estra-1,3,5(10)-triene-3,15alpha,16alpha,17beta-tetrol|oestetrol http://purl.obolibrary.org/obo/CHEBI_142773 3_STAR
CHEBI:142774 biolink:ChemicalSubstance nitryl chloride A nitro compound in which the nitrogen of the nitro group is bonded to a chlorine. It is used as a nitrating and chlorinating agent in organic synthesis. CAS:13444-90-1|PMID:11368552|PMID:11690564|PMID:12475975|PMID:21391546|PMID:21936506|PMID:22443276|PMID:26140681|PMID:26153795|PMID:28646605|PMID:28806070|PMID:29376646|PMID:29406712|PMID:29929221 phenio.json ClNO2|chloro(oxo)azane oxide|nitryl chloride http://purl.obolibrary.org/obo/CHEBI_142774 3_STAR
CHEBI:142783 biolink:ChemicalSubstance TRP channel modulator An agent that modulates the passage of cations through the transient receptor potential (TRP) channels. phenio.json TRP channel modulators http://purl.obolibrary.org/obo/CHEBI_142783 3_STAR
CHEBI:142797 biolink:ChemicalSubstance TMP(2-) A pyrimidine ribonucleoside 5'-monophosphate in which the pyrimidine element is 5-methyluracil; major species at pH 7.3. PMID:24210219 phenio.json 5-methyl-5'-O-phosphonatouridine|5-methyl-UMP|m(5)UMP http://purl.obolibrary.org/obo/CHEBI_142797 2_STAR
CHEBI:14280 biolink:ChemicalSubstance formyl phosphate(1-) phenio.json formyl hydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_14280 3_STAR
CHEBI:142821 biolink:ChemicalSubstance andrastin C(1-) An enolate anion resulting from the deprotonation of the enol group of andrastin C. Major species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029 phenio.json (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-(acetyloxy)-14-(methoxycarbonyl)-4,4,8,12,16-pentamethyl-17-oxoandrosta-11,15-dien-15-olate|3beta-(acetyloxy)-14-(methoxycarbonyl)-4,4,8alpha,12,16-pentamethyl-17-oxo-5beta,9beta,10alpha,13alpha-androsta-11,15-dien-15-olate|andrastin C http://purl.obolibrary.org/obo/CHEBI_142821 3_STAR
CHEBI:142822 biolink:ChemicalSubstance andrastin B(1-) An enolate anion resulting from the deprotonation of the enol group of andrastin B. Major species at pH 7.3. Published in Tetrahedron, 2013, 69(38), 8199-8204. http://dx.doi.org/10.1016/j.tet.2013.07.029 phenio.json (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-(acetyloxy)-14-(methoxycarbonyl)-4,4,8,12,16-pentamethyl-17,19-dioxoandrosta-11,15-dien-15-olate|3beta-(acetyloxy)-14-(methoxycarbonyl)-4,4,8alpha,12,16-pentamethyl-17,19-dioxo-5beta,9beta,10alpha,13alpha-androsta-11,15-dien-15-olate|andrastin B http://purl.obolibrary.org/obo/CHEBI_142822 3_STAR
CHEBI:142823 biolink:ChemicalSubstance andrastin A(1-) An enolate anion resulting from the deprotonation of the enol group of andrastin A. Major species at pH 7.3. Published in Tetrahedron, 2013, 69(38), 8199-8204. http://dx.doi.org/10.1016/j.tet.2013.07.029 phenio.json (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-acetoxy-14-(methoxycarbonyl)-4,4,8,12,16-pentamethyl-17,19-dioxoandrosta-11,15-dien-15-olate|3beta-acetoxy-14-(methoxycarbonyl)-4,4,8alpha,12,16-pentamethyl-17,19-dioxo-5beta,9beta,10alpha,13alpha-androsta-11,15-dien-15-olate|andrastin A http://purl.obolibrary.org/obo/CHEBI_142823 3_STAR
CHEBI:142839 biolink:ChemicalSubstance enolate An organic anion arising from deprotonation of the hydroxy group of an enol. phenio.json enolate anion|enolate anions|enolates http://purl.obolibrary.org/obo/CHEBI_142839 3_STAR
CHEBI:142842 biolink:ChemicalSubstance andrastin A A 19-oxo steroid that is that is andrastin B in which the hydroxy group at position 19 has been oxidised to give the corresponding aldehyde. A farnesyltransferase inhibitor produced by Penicillium roqueforti, a filamentous fungus involved in the ripening of several kinds of blue cheeses. CAS:174232-42-9|PMID:16279417|PMID:19837474|PMID:26731665|PMID:28529508|PMID:28799296|PMID:29270163|PMID:29853169|PMID:8682716|PMID:8682717|PMID:9531989|Wikipedia:Andrastin_A phenio.json methyl (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-acetoxy-15-hydroxy-4,4,8,12,16-pentamethyl-17,19-dioxoandrosta-11,15-diene-14-carboxylate|methyl 3beta-acetoxy-15-hydroxy-4,4,8alpha,12,16-pentamethyl-17,19-dioxo-5beta,9beta,10alpha,13alpha-androsta-11,15-diene-14-carboxylate http://purl.obolibrary.org/obo/CHEBI_142842 3_STAR
CHEBI:142848 biolink:ChemicalSubstance 4alpha-hydroxymethyl-5alpha-ergosta-7,24(28)-dien-3beta-ol A 3beta-sterol that is 24-methylidenelophenol in which the methyl group at position 4 has been oxidised to the corresponding hydroxymethyl group. MetaCyc:CPD-12907|PMID:14653780|PMID:8505296 phenio.json 4alpha-(hydroxymethyl)-5alpha-ergosta-7,24(28)-dien-3beta-ol|4alpha-hydroxymethyl-ergosta-7,24(24(1))-dien-3beta-ol http://purl.obolibrary.org/obo/CHEBI_142848 3_STAR
CHEBI:142849 biolink:ChemicalSubstance 4alpha-formyl-ergosta-7,24(28)-dien-3beta-ol A 3beta-sterol that is 5alpha-ergosta-7,24(28)-diene which is substituted at the 3beta and 4alpha positions by hydroxy and formyl groups, respectively. MetaCyc:CPD-12908|PMID:14653780|PMID:8505296 phenio.json (3beta,4alpha,5alpha)-3-hydroxyergosta-7,24(28)-diene-4-carbaldehyde|3beta-hydroxy-5alpha-ergosta-7,24(28)-diene-4alpha-carbaldehyde|4alpha-formyl-ergosta-7,24(24(1))-dien-3beta-ol http://purl.obolibrary.org/obo/CHEBI_142849 3_STAR
CHEBI:142851 biolink:ChemicalSubstance 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid A non-proteinogenic alpha-amino acid that is 2-aminobutanoic acid which is substituted at position 4 by a hydroxy(methyl)phosphoryl group. phenio.json 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid|2-amino-4-[hydroxy(methyl)phosphoryl]butyric acid|phosphinothricin http://purl.obolibrary.org/obo/CHEBI_142851 3_STAR
CHEBI:142852 biolink:ChemicalSubstance glufosinate-P A 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid that has S configuration at position 2. A glutamine synthetase inhibitor, it is used (generally as the corresponding ammonium or sodium salts, known as glufosinate-P-ammonium and glufosinate-P-sodium, respectively) as a herbicide to control annual weeds and grasses. CAS:35597-44-5|KEGG:C04650|PDBeChem:PPQ|PPDB:1667|Pesticides:glufosinate-p|Reaxys:4668102 phenio.json (+)-glufosinate|(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoic acid|(2S)-2-amino-4-[hydroxy(methyl)phosphinoyl]butyric acid|(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid|(2S)-glufosinate|(S)-glufosinate|(S)-phosphinothricin|4-[hydroxy(methyl)phosphinoyl]-L-homoalanine|L-glufosinate|phosphinothricin-P http://purl.obolibrary.org/obo/CHEBI_142852 3_STAR
CHEBI:142853 biolink:ChemicalSubstance (2R)-glufosinate A 2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid that has R configuration at position 2. The enantiomer of glufosinate-P. phenio.json (-)-glufosinate|(2R)-2-amino-4-(hydroxymethylphosphinyl)butanoic acid|(2R)-2-amino-4-[hydroxy(methyl)phosphinoyl]butyric acid|(2R)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoic acid|(R)-glufosinate|4-[hydroxy(methyl)phosphinoyl]-D-homoalanine|D-glufosinate http://purl.obolibrary.org/obo/CHEBI_142853 3_STAR
CHEBI:142854 biolink:ChemicalSubstance (2R)-glufosinate zwitterion An amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of (2R)-glufosinate. phenio.json (-)-glufosinate zwitterion|(2R)-2-azaniumyl-4-(hydroxymethylphosphinyl)butanoate|(2R)-2-azaniumyl-4-[hydroxy(methyl)phosphoryl]butanoate|(2R)-2-azaniumyl-4-[hydroxy(methyl)phosphoryl]butyrate|(R)-glufosinate zwitterion|4-[hydroxy(methyl)phosphinoyl]-D-homoalanine zwitterion http://purl.obolibrary.org/obo/CHEBI_142854 3_STAR
CHEBI:142856 biolink:ChemicalSubstance glufosinate-P zwitterion An amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of glufosinate-P. phenio.json (+)-glufosinate zwitterion|(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoic acid zwitterion|(2S)-2-azaniumyl-4-[hydroxy(methyl)phosphinoyl]butyrate|(2S)-2-azaniumyl-4-[hydroxy(methyl)phosphoryl]butanoate|(2S)-glufosinate zwitterion|(S)-glufosinate zwitterion|4-[hydroxy(methyl)phosphinoyl]-L-homoalanine zwitterion http://purl.obolibrary.org/obo/CHEBI_142856 3_STAR
CHEBI:142858 biolink:ChemicalSubstance (2R)-glufosinate zwitterion(1-) An organic anion resulting from the deprotonation of the phosphinic acid group of (2R)-glufosinate zwitterion. PMID:38289384 phenio.json (-)-glufosinate zwitterion(1-)|(2R)-2-azaniumyl-4-(methylphosphinato)butanoate|(2R)-2-azaniumyl-4-(methylphosphinato)butyrate|(R)-glufosinate zwitterion(1-)|4-(methylphosphinato)-D-homoalanine zwitterion|D-phosphinothricin http://purl.obolibrary.org/obo/CHEBI_142858 3_STAR
CHEBI:142859 biolink:ChemicalSubstance glufosinate-P zwitterion(1-) An organic anion resulting from the deprotonation of the phosphinic acid group of (2R)-glufosinate-P zwitterion. MetaCyc:L-PHOSPHINOTHRICIN|PMID:32815302|PMID:38289384 phenio.json (+)-glufosinate zwitterion(1-)|(2S)-2-amino-4-(hydroxymethylphosphinato)butanoic acid zwitterion|(2S)-2-azaniumyl-4-[hydroxy(methyl)phosphinato]butanoate|(2S)-2-azaniumyl-4-[hydroxy(methyl)phosphinato]butyrate|(2S)-glufosinate zwitterion(1-)|(S)-glufosinate zwitterion(1-)|4-[hydroxy(methyl)phosphinoyl]-L-homoalanine zwitterion(1-)|L-phosphinothricin http://purl.obolibrary.org/obo/CHEBI_142859 3_STAR
CHEBI:142862 biolink:ChemicalSubstance andrastin B A 17-oxo steroid that is andrastin C in which a hydrogen of the methyl group at position 19 has been replaced by a hydroxy group. A farnesyltransferase inhibitor produced by Penicillium roqueforti, a filamentous fungus involved in the ripening of several kinds of blue cheeses. PMID:15826038|PMID:8682716|PMID:8682717 phenio.json methyl (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-(acetyloxy)-15,19-dihydroxy-4,4,8,12,16-pentamethyl-17-oxoandrosta-11,15-diene-14-carboxylate|methyl 3beta-(acetyloxy)-15,19-dihydroxy-4,4,8,12,16-pentamethyl-17-oxo-5beta,8alpha,9beta,10alpha,13alpha-androsta-11,15-diene-14-carboxylate http://purl.obolibrary.org/obo/CHEBI_142862 3_STAR
CHEBI:142864 biolink:ChemicalSubstance 1-carboxybiuret(1-) An organic anion resulting from the deprotonation of the carbamic acid group of 1-carboxybiuret. MetaCyc:CPD-21687|PMID:29523689 phenio.json (carbamoylcarbamoyl)carbamate|1-carboxybiuret|N-[(carbamoylamino)carbonyl]carbamate http://purl.obolibrary.org/obo/CHEBI_142864 3_STAR
CHEBI:142867 biolink:ChemicalSubstance andrastin C A 17-oxosteroid that is 17-oxo-5beta,9beta,10alpha,13alpha-androsta-11,15-dieneandroxta-11,15-diene which is substituted by an acetoxy group at the 3beta position, methyl groups at the 4, 4, 8, 12, and 16 positions, a methoxycarbonyl group at position 14, and a hydroxy group at position 15. A farnesyltransferase inhibitor produced by Penicillium roqueforti, a filamentous fungus involved in the ripening of several kinds of blue cheeses. PMID:15826038|PMID:23106671|PMID:26863302|PMID:8682716|PMID:8682717 phenio.json methyl (3beta,5beta,8alpha,9beta,10alpha,13alpha)-3-(acetyloxy)-15-hydroxy-4,4,8,12,16-pentamethyl-17-oxoandrosta-11,15-diene-14-carboxylate|methyl 3beta-(acetyloxy)-15-hydroxy-4,4,8alpha,12,16-pentamethyl-17-oxo-5beta,9beta,10alpha,13alpha-androsta-11,15-diene-14-carboxylate http://purl.obolibrary.org/obo/CHEBI_142867 3_STAR
CHEBI:142880 biolink:ChemicalSubstance 7,2'-dihydroxy-4'-methoxyisoflavanol A member of the class of isoflavans that is isoflavan-4-ol substituted at positions 7 and 2' by hydroxy groups and at position 4' by a methoxy group. PMID:20522996|PMID:8071365 phenio.json 3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4,7-diol|3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromene-4,7-diol|4'-methoxyisoflavan-2',4,7-triol http://purl.obolibrary.org/obo/CHEBI_142880 3_STAR
CHEBI:142917 biolink:ChemicalSubstance 24-methylene-9beta-9,19-cyclolanostane-3beta,28-diol A 3beta-hydroxy-4alpha-formyl-4beta-methylsteroid that is 24-methylenecycloartanol in which the alpha-methyl substituent at position 4 has been substituted by a hydroxy group. MetaCyc:CPD-12865|PMID:17337022|PMID:8505296 phenio.json 24-methylene-9beta-9,19-cyclolanostane-3beta,28-diol|24-methylenecycloartane-3,28-diol|4alpha-hydroxymethyl,4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(24(1))-en-3beta-ol http://purl.obolibrary.org/obo/CHEBI_142917 3_STAR
CHEBI:142918 biolink:ChemicalSubstance 3beta-hydroxy-24-methylene-9beta-9,19-cyclolanostan-28-al A 3beta-hydroxy-4alpha-formyl-4beta-methylsteroid that is 24-methylene-9beta-9,19-cyclolanostane-3beta,28-diol in which the hydroxy group at position 28 has been oxidised to give the corresponding aldehyde. MetaCyc:CPD-12866 phenio.json (3beta,4alpha)-3-hydroxy-24-methylene-9,19-cycloanostan-28-one|3beta-hydroxy-24-methylene-9beta-9,19-cyclolanostan-28-al|4alpha-formyl,4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(24(1))-en-3beta-ol http://purl.obolibrary.org/obo/CHEBI_142918 3_STAR
CHEBI:142921 biolink:ChemicalSubstance 3-phenylprop-2-enal A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer. CAS:104-55-2 phenio.json 3-phenylacrylaldehyde|3-phenylpropenal|cinnamaldehyde http://purl.obolibrary.org/obo/CHEBI_142921 3_STAR
CHEBI:142928 biolink:ChemicalSubstance 4alpha-hydroxymethyl-stigmasta-7,24(24(1))-dien-3beta-ol A 3beta-sterol that is 5alpha-stigmasta-7,24(28)-dien-3beta-ol which is substituted at the 4alpha position by a hydroxymethyl group and in which the 24(28) double bond has Z configuration. MetaCyc:CPD-12911 phenio.json (24Z)-4alpha-(hydroxymethyl)-5alpha-stigmasta-7,24(28)-dien-3beta-ol|(3beta,4alpha,5alpha,24Z)-4-(hydroxymethyl)stigmasta-7,24(28)-dien-3-ol|4alpha-hydroxymethyl-stigmasta-7,24(24(1))-dien-3beta-ol http://purl.obolibrary.org/obo/CHEBI_142928 3_STAR
CHEBI:142929 biolink:ChemicalSubstance (24Z)-4alpha-formyl-stigmasta-7,24(24(1))-dien-3beta-ol A 3beta-sterol that is (24Z)-stigmasta-7,24(28)-diene which is substituted at the 3beta and 4alpha positions by hydroxy and formyl groups, respectively. MetaCyc:CPD-12912 phenio.json (24Z)-3beta-hydroxy-5alpha-stigmasta-7,24(28)-diene-4alpha-carbaldehyde|(3beta,4alpha,5alpha,24Z)-3-hydroxystigmasta-7,24(28)-diene-4-carbaldehyde|4alpha-formyl-stigmasta-7,24(24(1))-dien-3beta-ol http://purl.obolibrary.org/obo/CHEBI_142929 3_STAR
CHEBI:142939 biolink:ChemicalSubstance 5-diphospho-1D-myo-inositol 1,3,4,6-tetrakisphosphate(11-) Fully deprotonated form of 5-diphospho-1D-myo-inositol 1,3,4,6-tetrakisphosphate; major species at pH 7.3 PMID:10777568 phenio.json 5-PP-InsP4|5-diphospho-1D-myo-inositol 1,3,4,6-tetrakisphosphate http://purl.obolibrary.org/obo/CHEBI_142939 2_STAR
CHEBI:142940 biolink:ChemicalSubstance dihexadecanoylglycerol A diglyceride that is glycerol in which any two of the hydroxy groups have undergone formal esterification by condensation with hexadecanoic (palmitic) acid. Formula C35H68O5. For the structure shown, either R1 = H and R2 = hexadecanoyl or R1 = hexadecanoyl and R2 = H. phenio.json DG 16:0_16:0|dihexadecanoylglycerol|dipalmitoylglycerol|glycerol dihexadecanoate|glycerol dipalmitate http://purl.obolibrary.org/obo/CHEBI_142940 3_STAR
CHEBI:142967 biolink:ChemicalSubstance D-histidine zwitterion A polar amino acid zwitterion restulting from the transfer of a proton from the carboxy group to the alpha-amino group of D-histidine. The major species at pH 7.3. MetaCyc:CPD-12151|PMID:27230378 phenio.json (2R)-2-ammonio-3-(1H-imidazol-4-yl)propanoate|(2R)-2-azaniumyl-3-(1H-imidazol-4-yl)propanoate|D-histidine http://purl.obolibrary.org/obo/CHEBI_142967 3_STAR
CHEBI:142968 biolink:ChemicalSubstance Lipomannan Lipomannan is a mycobacterium immune agonist and a major constituent of the mycobacterium cell wall phenio.json http://purl.obolibrary.org/obo/CHEBI_142968 2_STAR
CHEBI:142990 biolink:ChemicalSubstance cyclolaudenol A pentacyclic triterpenoid that is (24S)-methyl-9beta,19-cyclolanost-25-ene which carries a hydroxy group at position 3beta. It is isolated from several plant species inclduing Turraeanthus and Tillandsia. CAS:511-61-5|FooDB:FDB014700|HMDB:HMDB0035911|KNApSAcK:C00045816|MetaCyc:CPD-22096|PMID:10882005|PMID:11473433|PMID:12807886|PMID:6986865 phenio.json (24S)-24-methylcycloart-25-en-3beta-ol|(3beta,9beta,24S)-24-methyl-9,19-cyclolanost-25-en-3-ol|24(S)-methyl-9beta,19-cyclolanost-25-en-3beta-ol|cyclolaudenol http://purl.obolibrary.org/obo/CHEBI_142990 3_STAR
CHEBI:143001 biolink:ChemicalSubstance GABAB receptor agonist phenio.json http://purl.obolibrary.org/obo/CHEBI_143001 1_STAR
CHEBI:143004 biolink:ChemicalSubstance ultra-long-chain fatty acid Any very long-chain fatty acid which has a chain length greater than C27. PMID:27257090 phenio.json ULCFA|ULCFAs|ultra long-chain fatty acid|ultra long-chain fatty acids|ultra-long-chain fatty acids http://purl.obolibrary.org/obo/CHEBI_143004 3_STAR
CHEBI:143005 biolink:ChemicalSubstance ultra-long-chain fatty acid anion Any very long-chain fatty acid anion with a chain length greater than C27. phenio.json a ultra-long-chain fatty acid|ultra long-chain fatty acid anion|ultra long-chain fatty acid anions http://purl.obolibrary.org/obo/CHEBI_143005 3_STAR
CHEBI:143006 biolink:ChemicalSubstance L-homoarginine(1+) A guanidinium ion that is the conjugate acid of L-homoarginine; major species at pH 7.3. MetaCyc:HOMOARGININE|PMID:11310742 phenio.json (2S)-6-{[amino(iminio)methyl]amino}-2-azaniumylhexanoate|L-homoarginine http://purl.obolibrary.org/obo/CHEBI_143006 3_STAR
CHEBI:143024 biolink:ChemicalSubstance 1-carboxybiuret A member of the class of condensed ureas that is urea in which one of the amino groups has had one of the attached hydrogens replaced by a carbamoyl group and the second amino group has had one of its hydrogens replaced by a carboxy group. PMID:22730121|PMID:24039269|PMID:29523689 phenio.json (carbamoylcarbamoyl)carbamic acid|1-carboxybiuret|carboxybiuret http://purl.obolibrary.org/obo/CHEBI_143024 3_STAR
CHEBI:143075 biolink:ChemicalSubstance L-homocarnosine zwitterion A zwitterion arising from transfer of a proton from the carboxy to the amino group of L-homocarnosine; major species at pH 7.3. MetaCyc:CPD-12185 phenio.json (2S)-2-(4-azaniumylbutanamido)-3-(1H-imidazol-4-yl)propanoate|(2S)-homocarnosine zwitterion|L-homocarnosine|gamma-aminobutanoyl-L-His|gamma-aminobutanoyl-L-histidine|gamma-aminobutyryl-L-histidine zwitterion http://purl.obolibrary.org/obo/CHEBI_143075 3_STAR
CHEBI:143076 biolink:ChemicalSubstance N(pros)-methyl-L-histidine zwitterion A L-histidine derivative that is L-histidine substituted by a methyl group at position 3 on the imidazole ring; major species at pH 7.3. MetaCyc:CPD-1823 phenio.json 1-methyl-L-histidine zwitterion|N(pros)-methyl-L-histidine http://purl.obolibrary.org/obo/CHEBI_143076 2_STAR
CHEBI:143079 biolink:ChemicalSubstance D-leucine zwitterion A D-alpha-amino acid zwitterion arising from the transfer of a proton from the carboxy to the amino group of D-leucine; major species at pH 7.3. MetaCyc:CPD-12150|PMID:24419381 phenio.json (2R)-2-azaniumyl-4-methylpentanoate|D-leu|D-leucine http://purl.obolibrary.org/obo/CHEBI_143079 3_STAR
CHEBI:143080 biolink:ChemicalSubstance D-norleucine zwitterion A D-alpha-amino acid zwitterion arising from the transfer of a proton from the carboxy to the amino group of D-norleucine; major species at pH 7.3. PMID:24419381 phenio.json (2R)-2-azaniumylhexanoate|D-2-aminohexanoate|D-2-aminohexanoic acid zwitterion|D-norleucine zwitterion http://purl.obolibrary.org/obo/CHEBI_143080 3_STAR
CHEBI:143081 biolink:ChemicalSubstance D-homoserine zwitterion A D-alpha-amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of D-homoserine; major species at pH 7.3. MetaCyc:CPD-12255|PMID:24419381 phenio.json (2R)-2-azaniumyl-4-hydroxybutanoate|D-homoserine http://purl.obolibrary.org/obo/CHEBI_143081 3_STAR
CHEBI:143084 biolink:ChemicalSubstance organometalloidal compound A compound having bonds between one or more metalloid atoms and one or more carbon atoms of an organyl group. PMID:15246002|PMID:17741021|PMID:8403081|PMID:908316 phenio.json organometalloidal|organometalloidal compounds|organometalloidals http://purl.obolibrary.org/obo/CHEBI_143084 3_STAR
CHEBI:143089 biolink:ChemicalSubstance 10-hydroxyoctadecanoate A hydroxy saturated fatty acid anion resulting from the deprotonation of the carboxy group of 10-hydroxyoctadecanoic acid. PMID:30643283 phenio.json 10-OH-C18:0(1-)|10-hydroxyoctadecanoate|10-hydroxyoctadecanoic acid(1-)|10-hydroxystearate|10-hydroxystearic acid(1-) http://purl.obolibrary.org/obo/CHEBI_143089 3_STAR
CHEBI:143093 biolink:ChemicalSubstance 2'-3'-cGAMP(2-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 2'-3'-cGAMP; major species at pH 7.3. MetaCyc:CPD-15224|PMID:23722158|PMID:23910378|PMID:30728498 phenio.json 2',3'-cGAMP|2'-3'-cyclic GMP-AMP(2-)|cyclic G(2'-5')pA(3'-5')p(2-) http://purl.obolibrary.org/obo/CHEBI_143093 3_STAR
CHEBI:143095 biolink:ChemicalSubstance 10-hydroxyoctadecanoic acid A hydroxy fatty acid that is octadecanoic acid carrying a hydroxy group at position 10. AGR:IND44573045|CAS:638-26-6|FooDB:FDB016439|HMDB:HMDB0037396|LIPID_MAPS_instance:LMFA02000128|PMID:21207107|PMID:30506254 phenio.json 10-hydroxy stearic acid|10-hydroxy-octadecanoic acid|10-hydroxyoctadecanoic acid|10-hydroxystearic acid http://purl.obolibrary.org/obo/CHEBI_143095 3_STAR
CHEBI:143097 biolink:ChemicalSubstance Gp[2'-5']Ap[3'] A (2'->5')-dinucleotide comprising guanosine and adenosine connected by a 2'->5' linkage and with a phosphate group at the 3'-terminus. PMID:30728498 phenio.json http://purl.obolibrary.org/obo/CHEBI_143097 3_STAR
CHEBI:143098 biolink:ChemicalSubstance Gp[2'-5']Ap[3'](3-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of Gp[2'-5']Ap[3']; major species at pH 7.3. PMID:30728498 phenio.json Gp(2'-5')Ap(3') http://purl.obolibrary.org/obo/CHEBI_143098 3_STAR
CHEBI:143117 biolink:ChemicalSubstance lorlatinib A cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, amino and fluoro groups at positions 3, 7 and 12 respectively. It is a small molecule inhibitor of ALK and ROS1 kinase developed by Pfizer for the treatment of ALK-positive non-small cell lung cancer. CAS:1454846-35-5|DrugBank:DB12130|KEGG:D11012|PDBeChem:5P8|PMID:24819116|PMID:25073473|PMID:25349124|PMID:25733882|PMID:26698910|PMID:26880581|PMID:27413712|PMID:28594000|PMID:29744867|PMID:30413378|PMID:30478428|PMID:30604291|PMID:30816885|Wikipedia:Lorlatinib phenio.json (10R)-7-amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile|Lorbrena|PF-06463922|PF06463922|PFE-PKIS 10|loratinib|lorlatinib|lorlatinibum http://purl.obolibrary.org/obo/CHEBI_143117 3_STAR
CHEBI:143129 biolink:ChemicalSubstance primary fatty amide A primary carboxamide RC(=O)NH2 resultng from the formal condensation of the carboxy group of a fatty acid with ammonia. phenio.json a fatty acylamide|primary fatty amides|primary fatty carboxamide|primary fatty carboxamides http://purl.obolibrary.org/obo/CHEBI_143129 3_STAR
CHEBI:143130 biolink:ChemicalSubstance impurity A chemical role played by any unwanted chemical substance inside a confined amount of liquid, gas, or solid, which differs from the chemical composition of the material or compound. For example, an impurity can be an undesired by-product of a chemical reaction or manufacturing process, a drug contaminant, or can be created upon degradation during storage. Wikipedia:Impurity phenio.json contaminant|contaminants|impurities|impurity http://purl.obolibrary.org/obo/CHEBI_143130 3_STAR
CHEBI:143135 biolink:ChemicalSubstance Glycino 3beta-cholesterol ester group PMID:11111088|PMID:8824192 phenio.json C-terminal glycine 3beta-cholesterol ester residue|Gly-cholesterol ester group|glycino cholesterol ester group http://purl.obolibrary.org/obo/CHEBI_143135 2_STAR
CHEBI:143136 biolink:ChemicalSubstance succinamate A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of succinamic acid; major species at pH 7.3. MetaCyc:CPD-8979|PMID:16332014|PMID:16332015 phenio.json 4-amino-4-oxobutanoate|succanimate|succinamate|succinamic acid(1-) http://purl.obolibrary.org/obo/CHEBI_143136 3_STAR
CHEBI:14314 biolink:ChemicalSubstance D-glucose 6-phosphate A D-glucose monophosphate in which the phosphate group is attached to position 6. phenio.json 6-O-phosphono-D-glucose|D-glucose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_14314 3_STAR
CHEBI:143140 biolink:ChemicalSubstance glycyl-L-cysteine residue An L-alpha-amino acid residue derived from glycyl-L-cysteine. phenio.json GC residue|Gly-L-Cys residue|glycyl-L-cysteine residue http://purl.obolibrary.org/obo/CHEBI_143140 3_STAR
CHEBI:143197 biolink:ChemicalSubstance culmorin A sesquiterpenoid fungal metabolite isolated from Fusarium culmorum. CAS:18374-83-9|KNApSAcK:C00021971|PMID:1034641|PMID:10866628|PMID:11122521|PMID:11694092|PMID:11761144|PMID:16746350|PMID:19880637|PMID:20740541|PMID:26673640|PMID:27690101|PMID:29465119 phenio.json (-)-culmorin|(1S,3R,3aS,4R,8aR,9R)-1,5,5,8a-tetramethyldecahydro-1,4-methanoazulene-3,9-diol|culmorin http://purl.obolibrary.org/obo/CHEBI_143197 3_STAR
CHEBI:143199 biolink:ChemicalSubstance S-myristoyl-L-cysteine group PMID:22247542 phenio.json S-tetradecanoyl-L-cysteinyl group|S-tetradecanoyl-L-cysteinyl residue http://purl.obolibrary.org/obo/CHEBI_143199 2_STAR
CHEBI:143200 biolink:ChemicalSubstance S-stearoyl-L-cysteine group PMID:22247542 phenio.json S-octadecanoyl-L-cysteinyl group|S-octadecanoyl-L-cysteinyl residue http://purl.obolibrary.org/obo/CHEBI_143200 2_STAR
CHEBI:143201 biolink:ChemicalSubstance S-oleoyl-L-cysteine group phenio.json S-(9Z-octadecenoyl)-L-cysteinyl group|S-(9Z-octadecenoyl)-L-cysteinyl residue http://purl.obolibrary.org/obo/CHEBI_143201 2_STAR
CHEBI:143202 biolink:ChemicalSubstance S-arachidonoyl-L-cysteine group PMID:22247542 phenio.json S-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-L-cysteinyl residue|S-(5Z,8Z,11Z,14Z-icosatetraenoyl)-L-cysteinyl group http://purl.obolibrary.org/obo/CHEBI_143202 2_STAR
CHEBI:14321 biolink:ChemicalSubstance glutamate(1-) An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group Gmelin:327908 phenio.json 2-ammoniopentanedioate|glutamate|glutamate(1-)|glutamic acid monoanion|hydrogen glutamate http://purl.obolibrary.org/obo/CHEBI_14321 3_STAR
CHEBI:143212 biolink:ChemicalSubstance thienopyrimidine A class of aromatic heterobicyclic compounds each of which contains a pyrimidine ring ortho fused to a 5-membered thiophene ring. phenio.json thienopyrimidine|thienopyrimidines http://purl.obolibrary.org/obo/CHEBI_143212 3_STAR
CHEBI:143231 biolink:ChemicalSubstance carbohydrate allergen Any carbohydrate, carbohydrate derivative or derived substituent group which causes the onset of an allergic reaction. PMID:9788708 phenio.json allergenic carbohydrate|allergenic carbohydrate derivative http://purl.obolibrary.org/obo/CHEBI_143231 3_STAR
CHEBI:143253 biolink:ChemicalSubstance N(6)-(D-fructosyl)-L-lysinium residue MetaCyc:Protein-fructosamines|PMID:11522682 phenio.json N(6)-(D-fructosyl)-L-lysine(1+) residue http://purl.obolibrary.org/obo/CHEBI_143253 2_STAR
CHEBI:143254 biolink:ChemicalSubstance N(6)-(3-O-phospho-D-fructosyl)-L-lysinium(1-) residue MetaCyc:Protein-phospho-fructosamines|Pubchem:11522682 phenio.json N(6)-(3-O-phospho-D-fructosyl)-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_143254 2_STAR
CHEBI:143274 biolink:ChemicalSubstance indole-3-butyrate An indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-butyric acid, arising from the deprotonation of the carboxy group. Chemspider:2934315|MetaCyc:CPD-10507 phenio.json (indol-3-yl)butanoate|1H-indole-3-butanoate|1H-indole-3-butyrate|3-indolebutyrate|4-(1H-indol-3-yl)butanoate|4-(indol-3-yl)butanoate|indole-3-butanoate|indole-3-butyrate|indole-3-butyric acid(1-) http://purl.obolibrary.org/obo/CHEBI_143274 3_STAR
CHEBI:143276 biolink:ChemicalSubstance 4-chloro-L-lysinium An alpha-amino-acid cation that is the conjugate acid of 4-chloro-L-lysine zwitterion; major species at pH 7.3. PMID:30867596 phenio.json (2S)-2,6-bis(azaniumyl)-4-chlorohexanoate|4-chloro-L-lysine|4-chloro-L-lysine(1+)|4-chloro-L-lysinium|gamma-chloro-L-lysinium http://purl.obolibrary.org/obo/CHEBI_143276 3_STAR
CHEBI:143285 biolink:ChemicalSubstance L-propargylglycine zwitterion An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy group to the amino group of L-propargylglycine. The major species at pH 7.3. PMID:23772385|PMID:30867596|PMID:387077|PMID:3994731|PMID:7094918|PMID:7364752|PMID:944577 phenio.json (2S)-2-aminopent-4-ynoate|L-propargylglycine http://purl.obolibrary.org/obo/CHEBI_143285 3_STAR
CHEBI:143286 biolink:ChemicalSubstance L-gamma-glutamyl-L-propargylglycine(1-) A non-proteinogenic dipeptide anion formed from L-glutamate and L-propargylglycine residues. Major species at pH 7.3. PMID:30867596 phenio.json L-gamma-glutamyl-L-propargylglycine http://purl.obolibrary.org/obo/CHEBI_143286 2_STAR
CHEBI:143287 biolink:ChemicalSubstance L-gamma-glutamyl-(3R)-L-beta-ethynylserine(1-) A non-proteinogenic dipeptide anion formed from the (3R)-hydroxylation of L-gamma-glutamyl-L-propargylglycine(1-). Major species at pH 7.3. PMID:30867596 phenio.json L-gamma-glutamyl-(3R)-L-beta-ethynylserine http://purl.obolibrary.org/obo/CHEBI_143287 2_STAR
CHEBI:143310 biolink:ChemicalSubstance 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid A carboxylic acid that is 3-phenylpropanoic acid substituted at position 4 by a 2-hydroxy-3-(propan-2-ylamino)propoxy group. CAS:81148-15-4|Reaxys:5284008 phenio.json 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propionic acid|3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoic acid http://purl.obolibrary.org/obo/CHEBI_143310 3_STAR
CHEBI:14336 biolink:ChemicalSubstance glycerol 1-phosphate A glycerol monophosphate having the phosphate group located at position 1. CAS:57-03-4|HMDB:HMDB0000126|KEGG:C03189|MetaCyc:Glycerol-1-phosphate|PMID:1694860|PMID:22770225|PMID:29438107|PMID:6083437|Reaxys:1723974|Wikipedia:Glycerol_1-phosphate phenio.json 1,2,3-propanetriol, 1-(dihydrogen phosphate)|1-glycerophosphate|1-glycerophosphoric acid|1-phosphoglycerol|2,3-dihydroxypropyl dihydrogen phosphate|2,3-hydroxy-1-propyl dihydrogen phosphate|3-glycerophosphate|D,L-alpha-glycerol-phosphate|DL-Glycerol 3-phosphate|DL-Glyceryl 1-phosphate|DL-glycerol 1-phosphate|Glycerol 1-phosphate|PG|alpha-glycerophosphoric acid|alpha-phosphoglycerol|glycerol 1-(dihydrogen phosphate)|glycerol alpha-phosphate|rac-Glycerol 1-phosphate http://purl.obolibrary.org/obo/CHEBI_14336 3_STAR
CHEBI:143529 biolink:ChemicalSubstance (2E)-decenoate An unsaturated fatty acid anion resulting from the deprotonation of the carboxy group of trans-2-decenoic acid. The major species at pH 7.3. PMID:11673457 phenio.json (2E)-dec-2-enoate|(2E)-decenoate|(2E)-decenoate(1-)|trans-2-decenoate|trans-dec-2-enoate http://purl.obolibrary.org/obo/CHEBI_143529 3_STAR
CHEBI:143532 biolink:ChemicalSubstance prostaglandin F2alpha-CoA(4-) PMID:11673457 phenio.json prostaglandin F2alpha-CoA http://purl.obolibrary.org/obo/CHEBI_143532 2_STAR
CHEBI:143535 biolink:ChemicalSubstance S-acyl-L-cysteine residue An L-alpha-amino acid residue obtained from the formal condensation of the thiol group of L-cysteine residue with the carboxy group of any carboxylic acid. MetaCyc:Protein-S-Acyl-Cysteines phenio.json S-acyl-L-cysteine residue http://purl.obolibrary.org/obo/CHEBI_143535 3_STAR
CHEBI:143553 biolink:ChemicalSubstance 8-oxo-GTP(4-) MetaCyc:CPD-12366|PMID:23463507 phenio.json 8-oxo-GTP http://purl.obolibrary.org/obo/CHEBI_143553 2_STAR
CHEBI:143554 biolink:ChemicalSubstance 8-oxo-GDP(3-) MetaCyc:CPD-14101|PMID:23463507 phenio.json 8-oxo-GDP http://purl.obolibrary.org/obo/CHEBI_143554 2_STAR
CHEBI:143563 biolink:ChemicalSubstance 3beta-hydroxy-4,4-dimethylsteroid Any 3beta-hydroxy steroid which is substituted by two methyl groups at position 4. MetaCyc:3beta-OH-44-dimethyl-sterols phenio.json a 3beta-hydroxy-4,4-dimethylsteroid http://purl.obolibrary.org/obo/CHEBI_143563 3_STAR
CHEBI:143576 biolink:ChemicalSubstance anthocyanidin betaine Major species at pH 7.3. The structure is based on the fact that all (except one; see Wikipedia page for anthocyanidin) anthocyanidins have OH groups at positions 3,5,7,4' and can be substituted at positions 3' and 5' phenio.json an anthocyanidin http://purl.obolibrary.org/obo/CHEBI_143576 2_STAR
CHEBI:143593 biolink:ChemicalSubstance beta-galactosylceramide PMID:10748143|PMID:3921539 phenio.json a beta-D-Gal-(1<->1')-ceramide|beta-D-GalCer|beta-D-galactosyl-N-acyl sphingoid base|beta-galactocerebroside http://purl.obolibrary.org/obo/CHEBI_143593 2_STAR
CHEBI:143594 biolink:ChemicalSubstance alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1<->1')-ceramide PMID:10748143|PMID:3921539 phenio.json (alpha,beta)-digalactosylceramide|alpha-D-Gal-(1->4)-beta-D-Gal-(1<->1')-Cer|alpha-D-Gal-(1->4)-beta-D-Gal-(1<->1')-N-acyl sphingoid base|alpha-D-Gal-(1->4)-beta-D-Gal-(1<->1')-ceramide http://purl.obolibrary.org/obo/CHEBI_143594 2_STAR
CHEBI:143597 biolink:ChemicalSubstance pentanol A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of five carbon atoms. CAS:30899-19-5 phenio.json http://purl.obolibrary.org/obo/CHEBI_143597 3_STAR
CHEBI:143622 biolink:ChemicalSubstance gamma-L-glutamyl-L-glutamate(2-) residue PMID:1720781 phenio.json gamma-L-glutamyl-L-glutamate residue http://purl.obolibrary.org/obo/CHEBI_143622 2_STAR
CHEBI:143623 biolink:ChemicalSubstance poly(L-glutamyl)-L-gamma-glutamyl-L-glutamate residue Major species at pH 7.3 PMID:1720781 phenio.json (L-glutamyl)n-gamma-L-glutamyl-L-glutamate residue http://purl.obolibrary.org/obo/CHEBI_143623 2_STAR
CHEBI:143624 biolink:ChemicalSubstance D-galactofuranose The furanose form of D-galactose. GlyGen:G38028NH|GlyTouCan:G38028NH|KEGG:C21066|PMID:24420700|PMID:3109899 phenio.json D-Galf|D-GalfOH|D-galacto-hexofuranose|D-galactofuranose|WURCS=2.0/1,1,0/[a2112h-1x_1-4]/1/ http://purl.obolibrary.org/obo/CHEBI_143624 3_STAR
CHEBI:143658 biolink:ChemicalSubstance vincristine(2+) A vinca alkaloid cation resulting from the protonation of the two tertiary amino groups of vincristine. Major species at pH 7.3. phenio.json vincristine http://purl.obolibrary.org/obo/CHEBI_143658 3_STAR
CHEBI:143701 biolink:ChemicalSubstance enolpyruvoyl-2-diphospho-5'-guanosine(3-) MetaCyc:CPD-22326|PMID:30952857 phenio.json enolpyruvoyl-2-diphospho-5'-guanosine http://purl.obolibrary.org/obo/CHEBI_143701 2_STAR
CHEBI:143703 biolink:ChemicalSubstance thiogeraniol A thiol that is geraniol in which the hydroxy group has been replaced by a thiol group. CAS:39067-80-6|FooDB:FDB014950|HMDB:HMDB0036106|MetaCyc:CPD-22373|PMID:29862510 phenio.json (2E)-3,7-dimethylocta-2,6-diene-1-thiol|(2E)-thiogeraniol|(E)-3,7-dimethylocta-2,6-diene-1-thiol|geranyl mercaptan|thiogeraniol http://purl.obolibrary.org/obo/CHEBI_143703 3_STAR
CHEBI:143705 biolink:ChemicalSubstance dehydro coenzyme F420-0(3-) MetaCyc:CPD-22327|PMID:30952857 phenio.json dehydro coenzyme F420-0 http://purl.obolibrary.org/obo/CHEBI_143705 2_STAR
CHEBI:143780 biolink:ChemicalSubstance (R)-bopindolol A 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate that has R-configuration. CAS:62697-43-2 phenio.json (2R)-1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate|(R)-1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]-2-benzoyloxypropane http://purl.obolibrary.org/obo/CHEBI_143780 3_STAR
CHEBI:143781 biolink:ChemicalSubstance (S)-bopindolol A 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate that has S-configuration. CAS:62697-41-0 phenio.json (2S)-1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate|(S)-1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]-2-benzoyloxypropane http://purl.obolibrary.org/obo/CHEBI_143781 3_STAR
CHEBI:143782 biolink:ChemicalSubstance 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate A methylindole that is 2-methyl-1H-indol-4-ol in which the hydrogen of the hydroxy group is replaced by a 2-(benzoyloxy)-3-(tert-butylamino)propyl group. phenio.json 1-(tert-butylamino)-3-[(2-methyl-1H-indol-4-yl)oxy]propan-2-yl benzoate http://purl.obolibrary.org/obo/CHEBI_143782 3_STAR
CHEBI:143788 biolink:ChemicalSubstance N(1)-(5-phospho-beta-D-ribosyl)glycinamide(1-) phenio.json N(1)-(5-phospho-beta-D-ribosyl)glycinamide http://purl.obolibrary.org/obo/CHEBI_143788 2_STAR
CHEBI:143789 biolink:ChemicalSubstance phenio.json http://purl.obolibrary.org/obo/CHEBI_143789
CHEBI:1438 biolink:ChemicalSubstance 3-(methylthio)propionic acid A thia fatty acid acid consisting of propionic acid with a methylthio substituent at the 3-position; an intermediate in mammalian methionine metabolism in vitro. The simplest known phytotoxin, it is a blight-inducing toxin produced by the cassava pathogen Xanthomonas campestris manihotis. CAS:646-01-5|HMDB:HMDB0001527|KEGG:C08276|KNApSAcK:C00001194|PMID:100496|Reaxys:1743054 phenio.json 3-(Methylthio)propionic acid|3-(methylsulfanyl)propanoic acid|3-methylthiopropanoic acid http://purl.obolibrary.org/obo/CHEBI_1438 3_STAR
CHEBI:143813 biolink:ChemicalSubstance 1-radyl,2-acyl-sn-glycero-3-phospho-(1D-myo-2-acyl-inositol)(1-) A phosphatidylinositol where R1 can be an alkyl or an acyl chain and 2R2 is an acyl chain. PMID:9463366 phenio.json 1-radyl,2-acyl-sn-glycero-3-phospho-(1D-myo-2-acyl-inositol) http://purl.obolibrary.org/obo/CHEBI_143813 2_STAR
CHEBI:143815 biolink:ChemicalSubstance N-acetyl-alpha-D-glucosaminyl-(1->6)-(phosphatidyl)-(1-radyl,2-acyl-sn-glycero-3-phospho)-1D-myo-inositol(1-) It is a GlcNAc-PI where R1 can be an alkyl or an acyl chain. PMID:9188481 phenio.json 6-(N-acetyl-alpha-D-glucosaminyl)-(1-radyl,2-acyl-sn-glycero-3-phospho)-1D-myo-inositol|D-GlcNAc-(alpha1->6)-(1-radyl,2-acyl-sn-glycero-3-phospho)-1D-myo-inositol(1-)|GlcNAc-PI(1-) http://purl.obolibrary.org/obo/CHEBI_143815 2_STAR
CHEBI:143816 biolink:ChemicalSubstance alpha-D-glucosaminyl-(1->6)-(phosphatidyl)-(1-radyl,2-acyl-sn-glycero-3-phospho)-1D-myo-inositol zwitterion A GlcN-PI where R1 can be an alkyl or an acyl chain and R2 is an acyl chain. PMID:9188481 phenio.json 6-(alpha-D-glucosaminyl)-(1-radyl,2-acyl-sn-glycero-3-phospho)-1D-myo-inositol|D-GlcN-(alpha1->6)-(1-radyl,2-acyl-sn-glycero-3-phospho)-1D-myo-inositol zwitterion|GlcN-PI zwitterion http://purl.obolibrary.org/obo/CHEBI_143816 2_STAR
CHEBI:143819 biolink:ChemicalSubstance C-terminal amino acid residue(1-) phenio.json C-terminal amino acid residue|amino acid carboxylate group(1-) http://purl.obolibrary.org/obo/CHEBI_143819 2_STAR
CHEBI:143825 biolink:ChemicalSubstance ravuconazole A member of the class of triazoles that is 1-butyl-1H-1,2,4-triazole in which the butyl group is substituted at positions 2, 2, and 3 by hydroxy, 2,4-difluorophenyl, and 4-(p-cyanophenyl)-1,3-thiazol-2-yl groups, respectively (the R,R stereoisomer). It exhibits antifungal activity by inhibition of 14alpha demethylase, an enzyme involved in sterol synthesis, resulting in lysis of the fungal cell wall and fungal cell death. (NCIO4) CAS:182760-06-1|DrugBank:DB06440|HMDB:HMDB0257114|KEGG:D02556|PMCID:PMC105592|PMID:10566016|PMID:11709320|PMID:18548464|PMID:20112166|PMID:20404124|PMID:22652223|PMID:22935068|PMID:24071640|PMID:24945848|PMID:25742996|PMID:27904057|PMID:28553114|PMID:29768713|PMID:29982734|PMID:30733479|PMID:31769120|PMID:31773164|PMID:31875604|PMID:32115444|PMID:32423960|PMID:32571811|PMID:33609301|PMID:34075394|PMID:34375652|PMID:35120131|PMID:35398930|PMID:8891121|PMID:9527778|Patent:US2011087030|Patent:WO2011042827|Wikipedia:Ravuconazole phenio.json 4-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl]benzonitrile|BMS 207147|BMS-20714|ER 30346|ER-30346|ravuconazol|ravuconazole|ravuconazolum http://purl.obolibrary.org/obo/CHEBI_143825 3_STAR
CHEBI:143828 biolink:ChemicalSubstance EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitor Any EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor that interferes with the action of sterol 14alpha-demethylase (EC 1.14.14.154). phenio.json CYP51 inhibitor|CYP51 inhibitors|EC 1.14.14.154 (sterol 14alpha-demethylase) inhibitors|EC 1.14.14.154 inhibitor|EC 1.14.14.154 inhibitors|ERG11 inhibitor|ERG11 inhibitors|cytochrome P450 51 inhibitor|cytochrome P450 51 inhibitors|lanosterol 14-demethylase inhibitor|lanosterol 14-demethylase inhibitors|lanosterol 14alpha-demethylase inhibitor|lanosterol 14alpha-demethylase inhibitors|obtusufoliol 14-demethylase inhibitor|obtusufoliol 14-demethylase inhibitors|oxidoreductase (14-methyl cleaving) inhibitors|sterol 14-demethylase inhibitor|sterol 14-demethylase inhibitors|sterol 14alpha-demethylase (EC 1.14.14.154) inhibitor|sterol 14alpha-demethylase (EC 1.14.14.154) inhibitors|sterol 14alpha-demethylase inhibitor|sterol 14alpha-demethylase inhibitors|sterol,[reduced NADPH--hemoprotein reductase]:oxygen inhibitor|sterol,[reduced NADPH--hemoprotein reductase]:oxygen oxidoreductase (14-methyl cleaving) inhibitor http://purl.obolibrary.org/obo/CHEBI_143828 3_STAR
CHEBI:143829 biolink:ChemicalSubstance 4-chloro-L-lysine An L-lysine derivative that is L-lysine substituted by a chloro group at position 4. phenio.json 4-Cl-L-lysine|4-chloro-L-lysine http://purl.obolibrary.org/obo/CHEBI_143829 3_STAR
CHEBI:143830 biolink:ChemicalSubstance 4-chloro-L-lysine zwitterion An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-chloro-L-lysine phenio.json (2S)-6-amino-2-azaniumyl-4-chlorohexanoate http://purl.obolibrary.org/obo/CHEBI_143830 3_STAR
CHEBI:143877 biolink:ChemicalSubstance N-acetyl-L-tryptophanate A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-tryptophan, obtained by the deprotonation of the carboxy group; major species at pH 7.3. MetaCyc:N-ACETYL-TRYPTOPHAN|PMID:15313614 phenio.json (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate|N-acetyl-L-tryptophan http://purl.obolibrary.org/obo/CHEBI_143877 3_STAR
CHEBI:143878 biolink:ChemicalSubstance N-acetyl-D-phenylalaninate An N-acyl-D-alpha-amino acid anion that is the conjugate base of N-acetyl-D-phenylalanine, arising from the deprotonation of the carboxy group; major species at pH 7.3. PMID:15313614 phenio.json (2R)-2-acetamido-3-phenylpropanoate|N-acetyl-D-phenylalanine http://purl.obolibrary.org/obo/CHEBI_143878 3_STAR
CHEBI:143890 biolink:ChemicalSubstance 2-ammonioethyl (2R)-2,3-dihydroxypropyl phosphate zwitterion Major species at pH 7.3. MetaCyc:L-1-GLYCEROPHOSPHORYLETHANOL-AMINE phenio.json sn-glycero-3-phosphoethanolamine http://purl.obolibrary.org/obo/CHEBI_143890 2_STAR
CHEBI:143898 biolink:ChemicalSubstance (R,R)-chrysanthemol A chrysanthemol in which both chiral centres have R configuration. PMID:25378387 phenio.json (R,R)-chrysanthemol|[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropyl]methanol http://purl.obolibrary.org/obo/CHEBI_143898 3_STAR
CHEBI:143899 biolink:ChemicalSubstance (R,R)-chrysanthemal An aldehyde resulting from the formal oxidation of the hydroxy group of (R,R)-chrysanthemol. PMID:29122986 phenio.json (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarbaldehyde|(1R,3R)-chrysanthemal http://purl.obolibrary.org/obo/CHEBI_143899 3_STAR
CHEBI:143900 biolink:ChemicalSubstance (R,R)-chrysanthemate A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (+)-trans-chrysanthemic acid. The major species at pH 7.3. MetaCyc:CPD-13662|PMID:29122986 phenio.json (+)-trans-chrysanthemate|(1R)-trans-chrysanthemate|(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate|(1R,3R)-chrysanthemate http://purl.obolibrary.org/obo/CHEBI_143900 3_STAR
CHEBI:143911 biolink:ChemicalSubstance (-)-antofine An organic heteropentacyclic compound that is (13aR)-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline substituted at positions 2, 3 and 6 by methoxy groups. It is an alkaloid produced by relatives of the milkweed family and exhibits antiviral, anti-inflammatory, antiadipogenic and antitumorigenic activities. CAS:32671-82-2|KNApSAcK:C00035244|PMID:12350151|PMID:12868894|PMID:17049857|PMID:20151387|PMID:21739223|PMID:22753104|PMID:22880628|PMID:24934681|PMID:28666888|PMID:28805975|PMID:30691129|PMID:31186319 phenio.json (-)-antofine|(13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline|(13aR)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine|(R)-(-)-antofine|(R)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline|(R)-antofine|2,3,6-trimethoxy-9,10,11,12,12a,13-hexahydro-9a-aza-cyclopenta[b]triphenylene|2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrodibenzo[f,h]pyrrolo[1,2-b]isoquinoline|7-demethoxytylophorine|9,11,12,13,13a,14-hexahydro-2,3,6-trimethoxydibenzo[f,h]pyrrolo[1,2-b]isoquinoline|antofine http://purl.obolibrary.org/obo/CHEBI_143911 3_STAR
CHEBI:143915 biolink:ChemicalSubstance N(6)-(pyridoxal phosphate)-L-lysine(2-) residue Major species at pH 7.3. phenio.json N(6)-(pyridoxal phosphate)-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_143915 2_STAR
CHEBI:143949 biolink:ChemicalSubstance (R)-lavandulyl diphosphate(3-) Trianion of (R)-lavandulyl diphosphate; major species at pH 7.3. MetaCyc:CPD-9443|PMID:12783539 phenio.json (R)-lavandulyl diphosphate http://purl.obolibrary.org/obo/CHEBI_143949 2_STAR
CHEBI:143966 biolink:ChemicalSubstance (2S)-homocitric acid The (S)-enantiomer of homocitric acid. CAS:210713-60-3 phenio.json (2S)-2-hydroxybutane-1,2,4-tricarboxylic acid|(S)-2-hydroxybutane-1,2,4-tricarboxylic acid|(S)-homocitric acid http://purl.obolibrary.org/obo/CHEBI_143966 3_STAR
CHEBI:143976 biolink:ChemicalSubstance 5'-end (N(7)-methyl 5'-triphospho-guanosine)-(2'-O-methyl-adenosine)(2-) residue A 7-methyl guanosine (m7G) linked via an inverted 5'-5' triphosphate bridge to an initiating 2'-O-methyl-adenosine-ribonucleotide; major species at pH 7.3. phenio.json a 5'-end (N(7)-methyl 5'-triphospho-guanosine)-(2'-O-methyl-adenosine) residue http://purl.obolibrary.org/obo/CHEBI_143976 2_STAR
CHEBI:143978 biolink:ChemicalSubstance 5'-end phospho-adenosine(2-) residue An organic anionic group obtained by deprotonation of the phosphate OH groups of a 5'-end phospho-adenosine residue; major species at pH 7.3. phenio.json a 5'-end phospho-adenosine residue http://purl.obolibrary.org/obo/CHEBI_143978 2_STAR
CHEBI:144019 biolink:ChemicalSubstance 5'-end phospho-(purine-ribonucleoside)(2-) residue An organic anionic group obtained by deprotonation of the phosphate OH groups of a 5'-end phospho-purine ribonucleoside residue; major species at pH 7.3. phenio.json a 5'-phospho-(purine-ribonucleoside) residue http://purl.obolibrary.org/obo/CHEBI_144019 2_STAR
CHEBI:144029 biolink:ChemicalSubstance 5'-end NAD-phospho-ribonucleoside residue An organic anionic group obtained by deprotonation of the phosphate OH groups of a 5'-end NAD(+)-phospho-ribonucleoside residue; major species at pH 7.3. phenio.json a 5'-end NAD(+)-phospho-ribonucleoside residue http://purl.obolibrary.org/obo/CHEBI_144029 2_STAR
CHEBI:144045 biolink:ChemicalSubstance (omega-1)-hydroxy-long-chain fatty acid anion Any long-chain fatty acid anion resulting from the deprotonatnion of an (omega-1)-hydroxy-long-chain fatty acid. phenio.json (omega-1)-hydroxy-long-chain fatty acid anions|an (omega-1)-hydroxy-long-chain fatty acid|long-chain (omega-1)-hydroxy fatty acid anion|long-chain (omega-1)-hydroxy fatty acid anions http://purl.obolibrary.org/obo/CHEBI_144045 3_STAR
CHEBI:144051 biolink:ChemicalSubstance 5'-end phospho-adenosine-phospho-ribonucleoside(3-) residue An organic anionic group obtained by deprotonation of the phosphate OH groups of a 5'-end phospho-adenosine residue followed by any ribonucleotide; major species at pH 7.3. PMID:31101919 phenio.json 5'-end phospho-adenosine-phospho-ribonucleoside residue http://purl.obolibrary.org/obo/CHEBI_144051 2_STAR
CHEBI:144055 biolink:ChemicalSubstance isorhamnetin(1-) A flavonoid oxoanion that is the conjugate base of isorhamnetin, arising from the deprotonation of the 7-hydroxy group; major species at pH 7.3. phenio.json 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-olate|3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-olate|isorhamnetin http://purl.obolibrary.org/obo/CHEBI_144055 3_STAR
CHEBI:144093 biolink:ChemicalSubstance N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group. phenio.json N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide http://purl.obolibrary.org/obo/CHEBI_144093 3_STAR
CHEBI:144094 biolink:ChemicalSubstance (S)-bicalutamide A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (S)-enantiomer of bicalutamide. CAS:113299-38-0|PDBeChem:0U9|PMID:15509184|PMID:23288837|PMID:23527766 phenio.json (+)-bicalutamide|(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|(S)-Casodex http://purl.obolibrary.org/obo/CHEBI_144094 3_STAR
CHEBI:144097 biolink:ChemicalSubstance EC 1.4.3.2 (L-amino-acid oxidase) inhibitor Any EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of L-amino-acid oxidase (EC 1.4.3.2). phenio.json EC 1.4.3.2 (L-amino-acid oxidase) inhibitors|EC 1.4.3.2 inhibitor|EC 1.4.3.2 inhibitors|L-amino-acid oxidase inhibitor|L-amino-acid oxidase inhibitor (EC 1.4.3.2) inhibitor|L-amino-acid oxidase inhibitor (EC 1.4.3.2) inhibitors|L-amino-acid oxidase inhibitors|L-amino-acid:oxygen oxidoreductase (deaminating) inhibitor|L-amino-acid:oxygen oxidoreductase (deaminating) inhibitors|ophio-amino-acid oxidase inhibitor|ophio-amino-acid oxidase inhibitors http://purl.obolibrary.org/obo/CHEBI_144097 3_STAR
CHEBI:144099 biolink:ChemicalSubstance EC 2.6.1.2 (alanine transaminase) inhibitor phenio.json http://purl.obolibrary.org/obo/CHEBI_144099 1_STAR
CHEBI:144119 biolink:ChemicalSubstance Atranorin phenio.json atranorin http://purl.obolibrary.org/obo/CHEBI_144119 2_STAR
CHEBI:144205 biolink:ChemicalSubstance Protolichesterinic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_144205 2_STAR
CHEBI:14428 biolink:ChemicalSubstance hyponitrous acid CAS:14448-38-5|Gmelin:141300|KEGG:C01818 phenio.json 1,4-dihydrido-2,3-diazy-1,4-dioxy-[4]catena|H2N2O2|Hyponitrous acid|[HON=NOH]|diazenediol|dihydroxido-1kappaO,2kappaO-dinitrogen(N--N)|hyponitrous acid http://purl.obolibrary.org/obo/CHEBI_14428 3_STAR
CHEBI:144315 biolink:ChemicalSubstance 1-radyl-2-acyl-sn-glycerolipid A glycerolipid where R1 is an alkyl or an acyl group, R2 is an acyl chain and R3 can be an H, a phosphate or a phospholipid group. PMID:19815513 phenio.json a 1-radyl-2-acyl-sn-glycerolipid|diradylglycerolipid http://purl.obolibrary.org/obo/CHEBI_144315 2_STAR
CHEBI:14434 biolink:ChemicalSubstance imidazole Wikipedia:Imidazole phenio.json imidazole http://purl.obolibrary.org/obo/CHEBI_14434 3_STAR
CHEBI:144353 biolink:ChemicalSubstance diethyldithiocarbamic acid A member of the class of dithiocarbamic acids that is diethylcarbamic acid in which both of the oxygens are replaced by sulfur. CAS:147-84-2|DrugBank:DB02520|KEGG:C19150|PMID:1848982|PMID:1851986|PMID:2902461|PMID:31465063|Reaxys:1747741 phenio.json Ditiocarb|N,N-diethylcarbamodithioic acid|N,N-diethyldithiocarbamic acid|diethylcarbamodithioic acid http://purl.obolibrary.org/obo/CHEBI_144353 3_STAR
CHEBI:144359 biolink:ChemicalSubstance diethyldithiocarbamate A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of diethyldithiocarbamic acid. MetaCyc:DIETHYLDITHIOCARBAMATE phenio.json N,N-diethyldithiocarbamate http://purl.obolibrary.org/obo/CHEBI_144359 3_STAR
CHEBI:144367 biolink:ChemicalSubstance 3PO A member of the class of pyridines that is pyridine substituted by a 3-oxo-3-(pyridin-4-yl)prop-1-en-1-yl group at position 3. An inhibitor of PFKFB3 kinase, an enzyme with a key role in glycolysis. CAS:18550-98-6|PMID:18202014|PMID:22591674|PMID:24332967|PMID:24451478|PMID:25849762|PMID:26504012|PMID:30996799 phenio.json (2E)-3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one|(2E)-3-(pyridin-3-yl)-1-(pyridin-4-yl)prop-2-en-1-one|3-(3-pyridinyl)-1-(4-pyridinyl)-2-propen-1-one|3PO http://purl.obolibrary.org/obo/CHEBI_144367 3_STAR
CHEBI:144368 biolink:ChemicalSubstance 1,2-diacyl-sn-glycerolipid A diradylglycerolipid where R1 and R2 are acyl chains and R3 can be an H, a phosphate or a phospholipid group. PMID:19815513 phenio.json a 1,2-diacyl-sn-glycerolipid http://purl.obolibrary.org/obo/CHEBI_144368 2_STAR
CHEBI:144387 biolink:ChemicalSubstance EC 2.7.1.105 (6-phosphofructo-2-kinase) inhibitor An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of 6-phosphofructo-2-kinase (EC 2.7.1.105). phenio.json (6-phosphofructo-2-kinase) inhibitors|6-phosphofructo-2-kinase (phosphorylating) inhibitor|6-phosphofructo-2-kinase (phosphorylating) inhibitors|6-phosphofructo-2-kinase inhibitor|6-phosphofructo-2-kinase inhibitors|6-phosphofructose 2-kinase inhibitor|6-phosphofructose 2-kinase inhibitors|EC 2.7.1.105 inhibitor|EC 2.7.1.105 inhibitors|fructose 6-phosphate 2-kinase inhibitor|fructose 6-phosphate 2-kinase inhibitors|phosphofructokinase 2 inhibitor|phosphofructokinase 2 inhibitors http://purl.obolibrary.org/obo/CHEBI_144387 3_STAR
CHEBI:144432 biolink:ChemicalSubstance myricitrin(1-) A flavonoid oxoanion that is the conjugate base of myricitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. PMID:18534639|PMID:29967287 phenio.json myricetin 3-O-alpha-L-rhamnoside|myricitrin anion http://purl.obolibrary.org/obo/CHEBI_144432 3_STAR
CHEBI:144490 biolink:ChemicalSubstance (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoate A 2-hydroxy-6-oxo-2,4-heptadienoate which has 2Z,4E configuration. Obtained by deprotonation of the carboxy group of (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid, it is the major species at pH 7.3. MetaCyc:CPD-8782|PMID:1916282 phenio.json (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoate http://purl.obolibrary.org/obo/CHEBI_144490 3_STAR
CHEBI:144513 biolink:ChemicalSubstance (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid A 2-hydroxy-6-oxohepta-2,4-dienoic acid which has 2Z,4E configuration. MetaCyc:CPD-8782|PMID:1916282 phenio.json (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid http://purl.obolibrary.org/obo/CHEBI_144513 3_STAR
CHEBI:144550 biolink:ChemicalSubstance alpha-D-mannosyl-4''-O-queuosine 5'-phosphate zwitterion residue A zwitterionic group obtained by transfer of a proton from the phosphate to the amino group of alpha-D-mannosyl-4''-O-queuosine 5'-phosphate residue; major species at pH 7.3. MetaCyc:CPD-8536|PMID:20603|PMID:25884661|PMID:34880214 phenio.json alpha-D-allyl-mannosyl-O-queuosine 5'-phosphate zwitterion residue http://purl.obolibrary.org/obo/CHEBI_144550 2_STAR
CHEBI:144551 biolink:ChemicalSubstance 4-(diethylamino)but-2-yn-1-ol A carboxylic ester resulting from the formal condensation of the carboxy group of cyclohexyl(hydroxy)phenylacetic acid with the hydroxy group of 4-(diethylamino)but-2-yn-1-ol. phenio.json 4-(diethylamino)but-2-yn-1-ol|alpha-cyclohexyl-alpha-hydroxybenzeneacetic acid 4-(diethylamino)-2-butynyl ester http://purl.obolibrary.org/obo/CHEBI_144551 3_STAR
CHEBI:144552 biolink:ChemicalSubstance (R)-oxybutynin A 4-(diethylamino)but-2-yn-1-ol that has R configuration. It is responsible for virtually all of the antimuscarinic activity of (racemic) oxybutynin. CAS:119618-21-2|PMID:17473442|PMID:24036364|PMID:25215879|Patent:EP1286591|Patent:US6123961|Patent:WO0193683 phenio.json 4-(diethylamino)but-2-yn-1-yl (2R)-cyclohexyl(hydroxy)phenylacetate http://purl.obolibrary.org/obo/CHEBI_144552 3_STAR
CHEBI:144554 biolink:ChemicalSubstance 5'-phosphonucleoside 3'-diphosphate(5-) Major species at pH 7.3 MetaCyc:5-PHOSPHONUCLEOSIDE-3-DIPHOSPHATE phenio.json a 5'-phosphonucleoside 3'-diphosphate http://purl.obolibrary.org/obo/CHEBI_144554 2_STAR
CHEBI:144561 biolink:ChemicalSubstance 3beta-hydroxyparthenolide Compound 524 in Scheme 3 from pmid:30468448. Produced by the same enzyme that produces CHEBI:144560 MetaCyc:CPD-16767|PMID:30468448 phenio.json 3beta-hydroxyparthenolide http://purl.obolibrary.org/obo/CHEBI_144561 2_STAR
CHEBI:144635 biolink:ChemicalSubstance D-2,4-diaminobutyric acid A 2,4-diaminobutyric acid that has R-configuration. CAS:26908-94-1|PDBeChem:4FO|PMID:11192081|PMID:29710894|PMID:30387709|PMID:5074579 phenio.json (2R)-2,4-diaminobutanoic acid|(2R)-2,4-diaminobutyric acid|(R)-2,4-diaminobutanoic acid|(R)-2,4-diaminobutyric acid|D-DAB http://purl.obolibrary.org/obo/CHEBI_144635 3_STAR
CHEBI:144637 biolink:ChemicalSubstance 4-hydroxy-D-proline The D-stereoisomer of 4-hydroxyproline. phenio.json (2R)-4-hydroxypyrrolidine-2-carboxylic acid|4-OH-D-Pro|4-hydroxy-D-Pro|4-hydroxy-D-proline http://purl.obolibrary.org/obo/CHEBI_144637 3_STAR
CHEBI:144644 biolink:ChemicalSubstance a tetracycline zwitterion phenio.json a tetracycline http://purl.obolibrary.org/obo/CHEBI_144644 2_STAR
CHEBI:14469 biolink:ChemicalSubstance isomethyleugenol Beilstein:880472|CAS:93-16-3 phenio.json 1,2-dimethoxy-4-(prop-1-en-1-yl)benzene|1,3,4-Isoeugenol methyl ether|1-Veratryl-1-propene|4-Propenylveratrole|Isoeugenol methyl ether|Isoeugenyl methyl ether|Isohomogenol|Methylisoeugenol http://purl.obolibrary.org/obo/CHEBI_14469 3_STAR
CHEBI:144697 biolink:ChemicalSubstance N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine(2-) A dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine. The major species at pH 7.3. PMID:28373563|PMID:30692244 phenio.json 5-({(2S)-1-[(carboxylatomethyl)amino]-1-oxobutan-2-yl}amino)-2,5-dioxopentanoate|N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine|N-(4-carboxylato-4-oxobutanoyl)-L-ethylglycylglycinate|N-[(2S)-2-(4-carboxylato-4-oxobutanoylamino)butanoyl]glycinate http://purl.obolibrary.org/obo/CHEBI_144697 3_STAR
CHEBI:144699 biolink:ChemicalSubstance N-[(2S)-2-ammoniobutanoyl]glycinate A zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of N-[(2S)-2-aminobutanoyl]glycine. The major species at pH 7.3. PMID:30692244 phenio.json N-(2-aminobutanoyl)glycine|N-[(2S)-ammoniobutanoyl]glycinate|{[(2S)-2-azaniumylbutanoyl]amino}acetate http://purl.obolibrary.org/obo/CHEBI_144699 3_STAR
CHEBI:1447 biolink:ChemicalSubstance 3-acylpyruvic acid A dioxo monocarboxylic acid that is pyruvic acid substituted by an acyl group at position 3. phenio.json http://purl.obolibrary.org/obo/CHEBI_1447 3_STAR
CHEBI:144703 biolink:ChemicalSubstance N-palmitoyl-sphingoid base A ceramide where the N-acyl is a palmitoyl chain but the sphingoid base is not defined phenio.json an N-hexadecanoyl-sphingoid base|palmitoylceramide http://purl.obolibrary.org/obo/CHEBI_144703 2_STAR
CHEBI:144711 biolink:ChemicalSubstance N-stearoyl-sphingoid base phenio.json a stearoyl-ceramide|an N-octadecanoyl-sphingoid base http://purl.obolibrary.org/obo/CHEBI_144711 2_STAR
CHEBI:144712 biolink:ChemicalSubstance N-(very-long-chain fatty acyl)-sphingoid base A ceramide where the acyl chain chain length is greater than C22 and the sphingoid base is undefined phenio.json an N-(very-long-chain fatty acyl)-sphingoid base|very-long-chain fatty acyl ceramide http://purl.obolibrary.org/obo/CHEBI_144712 2_STAR
CHEBI:144713 biolink:ChemicalSubstance N-(ultra-long-chain-acyl)-sphingoid base A ceramide where the acyl chain chain length is greater than C27 and the sphingoid base is undefined phenio.json an N-(ultra-long-chain-acyl)-sphingoid base|ultra-long-chain acyl ceramide http://purl.obolibrary.org/obo/CHEBI_144713 2_STAR
CHEBI:144720 biolink:ChemicalSubstance inositol-1-phospho-N-(2-hydroxy-very-long-chain fatty acyl)-4R-hydroxysphingoid base(1-) An inositol phosphoceramide (1-) in which the acyl chain length is greater than C22 and hydroxylated at position 2 and the ceramide base is hydroxylated at position 4. PMID:9323360 phenio.json an inositol-1-phospho-N-(2-hydroxy-very-long-chain fatty acyl)-4R-hydroxysphingoid base|inositol-1-phospho-N-(2-hydroxy-very-long-chain fatty acyl)-phytosphingoid base http://purl.obolibrary.org/obo/CHEBI_144720 2_STAR
CHEBI:144728 biolink:ChemicalSubstance N-[(2S)-2-aminobutanoyl]glycine A dipeptide resulting from the formal condensation of the carboxy group of L-alpha-aminobutyric acid [(2S)-2-aminobutanoic acid] with the amino group of glycine. PMID:30692244 phenio.json 2-[(2S)-2-aminobutanamido]acetic acid|H-Abu-Gly-OH|N-(L-alpha-aminobutanoyl)glycine|N-[(2S)-2-aminobutanoyl]glycine|{[(2S)-2-aminobutanoyl]amino}acetic acid http://purl.obolibrary.org/obo/CHEBI_144728 3_STAR
CHEBI:144729 biolink:ChemicalSubstance L-beta-ethynylserine zwitterion An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy group to the amino group of L-beta-ethynylserine. The major species at pH 7.3. PMID:3082841|PMID:30867596 phenio.json (2S,3R)-2-azaniumyl-3-hydroxypent-4-ynoate|2-azaniumyl-2,4,5-trideoxy-D-threo-pent-4-ynonate|L-beta-ethynylserine zwitterion http://purl.obolibrary.org/obo/CHEBI_144729 3_STAR
CHEBI:144773 biolink:ChemicalSubstance anthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-[(6-O-(E)-4-coumaroyl)glucoside] betaine An oxonium betaine obtained by deprotonation of the 7-hydroxy group of anthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-[(6-O-4-hydroxycinnamoyl)glucoside]. It is the major microspecies at pH 7.3 phenio.json an anthocyanidin 3-O-beta-D-glucoside 5-O-beta-D-[(6-O-(E)-4-coumaroyl)glucoside] http://purl.obolibrary.org/obo/CHEBI_144773 2_STAR
CHEBI:144774 biolink:ChemicalSubstance linoleoyl containing 1,2,3-triacyl-sn-glycerol A triglyceride where at least one of R1, R2 or R3 is a linoleoyl group. Formula is C23H36O6R2 phenio.json a (9Z,12Z)-octadecadienoyl-containing triacyl-sn-glycerol http://purl.obolibrary.org/obo/CHEBI_144774 2_STAR
CHEBI:144775 biolink:ChemicalSubstance delphinidin(1-) An organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of delphinidin; major species at pH 7.3. MetaCyc:CPD-7090 phenio.json 7-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-3,5-bis(olate)|7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3,5-bis(olate)|delphinidin http://purl.obolibrary.org/obo/CHEBI_144775 3_STAR
CHEBI:144776 biolink:ChemicalSubstance delphinidin 3-O-beta-D-glucoside betaine An oxonium betaine obtained by deprotonation of the 5 position of delfinidin 3-O-beta-D-glucoside. It is the major microspecies at pH 7.3. phenio.json 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-5-olate|delphinidin 3-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_144776 3_STAR
CHEBI:144777 biolink:ChemicalSubstance pelargonidin(1-) An organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of pelargonidin; major species at pH 7.3. MetaCyc:PELARGONIDIN-CMPD phenio.json 7-hydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3,5-bis(olate)|7-hydroxy-2-(4-hydroxyphenyl)chromenium-3,5-bis(olate)|pelargonidin http://purl.obolibrary.org/obo/CHEBI_144777 3_STAR
CHEBI:144778 biolink:ChemicalSubstance pelargonidin 3-O-beta-D-glucoside betaine An organic betaine obtained by deprotonation of the hydroxy group at the 5 position of pelargonidin 3-O-beta-D-glucoside. It is the major microspecies at pH 7.3. phenio.json 3-(beta-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-olate|pelargonidin 3-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_144778 3_STAR
CHEBI:144784 biolink:ChemicalSubstance omega-hydroxy-ultra-long chain fatty acylceramide A ceramide with no defined sphingoid base and an N-omega-hydroxyacyl chain length greater than C27 PMID:28248318 phenio.json an N-(omega-hydroxy-ultra-long chain fatty acyl)-sphingoid base http://purl.obolibrary.org/obo/CHEBI_144784 2_STAR
CHEBI:144785 biolink:ChemicalSubstance omega-linoleoyloxy-O-ultra-long chain acylceramide A ceramide with no defined sphingoid base and a linoleoyl group esterified to a N-omega-hydroxyacyl chain length greater than C27 PMID:28248318 phenio.json an N-[omega-(9Z,12Z-octadecadienoyloxy)-O-ultra-long chain fatty acyl]-sphingoid base http://purl.obolibrary.org/obo/CHEBI_144785 2_STAR
CHEBI:144817 biolink:ChemicalSubstance 2-ammonio-2-deoxy-D-galactopyranose A primary ammonium ion resulting from the protonation of the amino group of 2-amino-2-deoxy-D-galactopyranose. Major species at pH 7.3. phenio.json D-galactosamine http://purl.obolibrary.org/obo/CHEBI_144817 3_STAR
CHEBI:144829 biolink:ChemicalSubstance tumour antigen An antigenic substance produced in tumour cells, which triggers an immune response in the host. Wikipedia:Tumor_antigen phenio.json tumour antigens http://purl.obolibrary.org/obo/CHEBI_144829 3_STAR
CHEBI:144833 biolink:ChemicalSubstance L-beta-ethynylserine A non-proteinogenic L-alpha-amino acid that is L-propargylglycine which is carrying a hydroxy group at the 3R position. CAS:64918-85-0|CAS:65207-64-9|PMID:3082841 phenio.json (2S,3R)-2-amino-3-hydroxy-4-pentynoic acid|(2S,3R)-2-amino-3-hydroxypent-4-ynoic acid|2-amino-2,4,5-trideoxy-D-threo-pent-4-ynonic acid|L-beta-ethynylserine|beta-ethynylserine http://purl.obolibrary.org/obo/CHEBI_144833 3_STAR
CHEBI:144842 biolink:ChemicalSubstance N(6)-methyl-AMP(2-) A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of N(6)-methyl-AMP. PMID:29884623 phenio.json N(6)-methyl-AMP|N(6)-methyl-AMP dianion|N(6)-methyladenosine 5'-monophosphate dianion|N(6)-methyladenosine 5'-monophosphate(2-)|N-methyl-5'-O-phosphonatoadenosine http://purl.obolibrary.org/obo/CHEBI_144842 3_STAR
CHEBI:144889 biolink:ChemicalSubstance D-xylulofuranose Chemspider:388344 phenio.json http://purl.obolibrary.org/obo/CHEBI_144889 2_STAR
CHEBI:144897 biolink:ChemicalSubstance 1-piperideinium An iminium ion obtained by protonation of the imino group of 1-piperideine; major microspecies at pH 7.3. phenio.json 1-piperideine|2,3,4,5-tetrahydropyridin-1-ium|2,3,4,5-tetrahydropyridinium http://purl.obolibrary.org/obo/CHEBI_144897 3_STAR
CHEBI:1449 biolink:ChemicalSubstance 3-amino-2-oxopropyl phosphate A oxoalkyl phosphate having 3-amino-2-oxopropyl as the oxoalkyl group. KEGG:C11638 phenio.json 1-Amino-3-(phosphohydroxy)propan-2-one|3-Amino-2-oxopropyl phosphate|3-amino-2-oxopropyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_1449 3_STAR
CHEBI:144936 biolink:ChemicalSubstance (2E,6E,10E)-geranylgeranyl phosphate(2-) MetaCyc:CPD-12594 phenio.json (2E,6E,10E)-geranylgeranyl phosphate http://purl.obolibrary.org/obo/CHEBI_144936 2_STAR
CHEBI:144968 biolink:ChemicalSubstance N(6)-(2-hydroxyisobutanoyl)-L-lysine residue An N(6)-acyl-L-lysine residue derived from N(6)-(2-hydroxyisobutanoyl)-L-lysine. PMID:24681537|PMID:27924077|PMID:28768809|PMID:29775581 phenio.json Khib residue|N(6)-(2-hydroxy-2-methylpropanoyl)-L-lysine residue|N(6)-(2-hydroxyisobutanoyl)-L-lysine residue|N(6)-(2-hydroxyisobutyryl)-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_144968 3_STAR
CHEBI:144969 biolink:ChemicalSubstance 2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose(2-) A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose; major species at pH 7.3. phenio.json 2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose http://purl.obolibrary.org/obo/CHEBI_144969 2_STAR
CHEBI:144981 biolink:ChemicalSubstance EC 3.6.5.2 (small monomeric GTPase) inhibitor phenio.json http://purl.obolibrary.org/obo/CHEBI_144981 1_STAR
CHEBI:144984 biolink:ChemicalSubstance NSC 23766 An aminopyrimidine that is 6-methylpyrimidine-2,4-diamine in which the amino groups at positions 2 and 4 are substituted by 5-(diethylamino)pentan-2-yl and 4-amino-2-methylquinolin-6-yl groups respectively. An inhibitor of the signalling G-protein known as RAC1 (Ras-related C3 botulinum toxin substrate 1). LINCS:LSM-1818|PMID:15128949|PMID:18183417|PMID:19052208|PMID:19491337|PMID:20515940|PMID:21511011|PMID:23887096|PMID:24257023|PMID:24523909|PMID:24953831|PMID:25154784|PMID:25319697|PMID:25628054|PMID:25631101|PMID:27467102|PMID:29050986|PMID:30871916 phenio.json N(6)-(2-{[5-(diethylamino)pentan-2-yl]amino}-6-methylpyrimidin-4-yl)-2-methylquinoline-4,6-diamine|N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine|NSC-23766|NSC23766 http://purl.obolibrary.org/obo/CHEBI_144984 3_STAR
CHEBI:144987 biolink:ChemicalSubstance sphingosine-1-phosphate receptor antagonist An antagonist that binds to and blocks sphingosine 1-phosphate receptors, a class of G protein-coupled receptors that are targets of the lipid signalling molecule sphingosine-1-phosphate (S1P). phenio.json EDG receptor antagonist|S1P receptor antagonist|S1P receptor antagonists|SIP antagonist|SIP antagonists|sphingosine 1-phosphate receptor antagonist|sphingosine 1-phosphate receptor antagonists|sphingosine-1-phosphate receptor antagonists http://purl.obolibrary.org/obo/CHEBI_144987 3_STAR
CHEBI:145009 biolink:ChemicalSubstance steviolbioside(1-) A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of steviolbioside. The major species at pH 7.3. MetaCyc:CPD-14503|PMID:15610349 phenio.json steviolbioside|steviolbioside anion http://purl.obolibrary.org/obo/CHEBI_145009 3_STAR
CHEBI:145010 biolink:ChemicalSubstance steviolmonoside(1-) A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of steviolmonoside. The major species at pH 7.3. MetaCyc:CPD-14502|PMID:15610349|PMID:31324778 phenio.json steviolmonoside http://purl.obolibrary.org/obo/CHEBI_145010 3_STAR
CHEBI:145011 biolink:ChemicalSubstance steviol(1-) A monocarboxylic acid anion that is the conjugate base of steviol, obtained by deprotonation of the carboxy group. MetaCyc:CPD-14501|PMID:15610349|PMID:31324778 phenio.json 13alpha-hydroxy-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oate|steviol http://purl.obolibrary.org/obo/CHEBI_145011 3_STAR
CHEBI:145012 biolink:ChemicalSubstance rebaudioside A A rebaudioside that is rubusoside in which the hydroxy groups at positions 3 and 4 of the beta-D-glucopyranosyloxy group at the 13alpha position have both been converted to the corresponding beta-D-glucopyranoside. AGR:IND606339833|CAS:58543-16-1|FooDB:FDB013543|HMDB:HMDB0034950|KNApSAcK:C00023175|MetaCyc:CPD-14506|PMID:15610349|PMID:25353385|PMID:26776281|PMID:27352150|PMID:27638403|PMID:28218969|PMID:29262312|PMID:29355553|PMID:29433626|PMID:29461634|PMID:29655729|PMID:30291959|PMID:30666114|PMID:30883860|PMID:31030274|PMID:31159256|PMID:31324778|Wikipedia:Rebaudioside_A phenio.json 1-O-(13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl)-beta-D-glucopyranose|13-[(2-O-beta-D-glucopyranosyl-3-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-ent-kaur-16-en-19-oic acid beta-D-glucopyranosyl ester|19-O-beta-glucopyranosyl-13-O-(beta-glucopyranosyl(1-2)-beta-glucopyranosyl(1-3))-beta-glucopyranosyl-13-hydroxykaur-16-en-19-oic acid|19-O-beta-glucopyranosyl-13-O-(beta-glucopyranosyl(1-2)-beta-glucopyranosyl(1-3))-beta-glucopyranosylsteviol|Reb A|Reb-A|Stevia|Sweetener 4G-S|rebaudioside A|rebaudioside-A http://purl.obolibrary.org/obo/CHEBI_145012 3_STAR
CHEBI:145013 biolink:ChemicalSubstance rebaudioside B(1-) A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of rebaudioside B. The major species at pH 7.3. MetaCyc:CPD-14507|PMID:15610349|PMID:31324778 phenio.json 13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oate|rebaudioside B|rebaudioside B anion|stevioside a4(1-) http://purl.obolibrary.org/obo/CHEBI_145013 3_STAR
CHEBI:145015 biolink:ChemicalSubstance 3''-O-propanoyl-ADP-D-ribose(2-) A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 3''-O-butanoyl-ADP-D-ribose; major species at pH 7.3. phenio.json 3''-O-propanoyl-ADP-D-ribose|3''-O-propionyl-ADP-D-ribose http://purl.obolibrary.org/obo/CHEBI_145015 2_STAR
CHEBI:145021 biolink:ChemicalSubstance rubusoside A steviol glycoside that is steviol in which both the carboxy group and the tertiary allylic hydroxy group have been converted to their corresponding beta-D-glucosides. A precious bioactive natural sweetener which mainly exists the in Chinese sweet tea plant, Rubus suavissimus. MetaCyc:CPD-14505|PMID:15610349 phenio.json 1-O-[13alpha-(beta-D-glucopyranosyloxy)-18-oxo-5beta,8alpha,9beta,10alpha-kaur-16-en-18-yl]-beta-D-glucopyranose|rubusoside http://purl.obolibrary.org/obo/CHEBI_145021 3_STAR
CHEBI:145023 biolink:ChemicalSubstance rebaudioside Any of the steviol glycosides found in the leaves of the stevia plant, Stevia rebaudiana. They are typically more than 100 times sweeter than sucrose. PMID:21464800|PMID:21489412|PMID:21527882|PMID:21798525|PMID:24361573|PMID:24758242|PMID:26924787|PMID:27119206|PMID:27428112|PMID:27979591|PMID:28762654|PMID:30769819 phenio.json rebaudiosides http://purl.obolibrary.org/obo/CHEBI_145023 3_STAR
CHEBI:145024 biolink:ChemicalSubstance steviol An ent-kaurane diterpenoid that is 5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid in which the hydrogen at position 13 has been replaced by a hydroxy group. AGR:IND605891739|CAS:471-80-7|FooDB:FDB015642|HMDB:HMDB0036706|KEGG:C20212|KNApSAcK:C00034695|MetaCyc:CPD-14501|PMID:15610349|PMID:28903608|PMID:29064007|PMID:29892740|PMID:29899860|PMID:31182573|PMID:31324778|Wikipedia:Steviol phenio.json (-)-steviol|(14-alpha)-13-hydroxykaur-16-en-18-oic acid|13alpha-hydroxy-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid|hydroxydehydrostevic acid http://purl.obolibrary.org/obo/CHEBI_145024 3_STAR
CHEBI:145026 biolink:ChemicalSubstance L-psicose The L-enantiomer of psicose. CAS:16354-64-6|PMID:16243286|PMID:19111643|PMID:25888171|PMID:26020767|PMID:27262904|PMID:27713017 phenio.json (3S,4S,5S)-1,3,4,5,6-pentahydroxyhexan-2-one|L-allulose|L-psicose|L-ribo-2-hexulose http://purl.obolibrary.org/obo/CHEBI_145026 3_STAR
CHEBI:145027 biolink:ChemicalSubstance steviol glycoside A diterpene glycoside derived from steviol by formal esterification of the carboxy group with glucose (or a glucose derivative) and glycosylation of the tertiary hydroxy group with combinations of glucose and rhamnose to give the corresponding glycosides. PMID:29537255|PMID:29863335|PMID:30466787|PMID:30506508|PMID:30897351|PMID:31063378|PMID:31195254|PMID:31295559|PMID:31438580|PMID:31491712|Wikipedia:Steviol_glycoside phenio.json steviol glycosides http://purl.obolibrary.org/obo/CHEBI_145027 3_STAR
CHEBI:145029 biolink:ChemicalSubstance steviolmonoside A beta-D-glucoside resulting from the formal condensation the tertiary allylic hydroxy group of steviol with beta-D-glucopyranose. CAS:60129-60-4|KNApSAcK:C00034697|MetaCyc:CPD-14502|PMID:12436720|PMID:15610349|PMID:17397883|PMID:1814608|PMID:21477883|PMID:27642557|PMID:31324778|PMID:7646064 phenio.json 13-O-beta-D-glucopyranosyl steviol|13alpha-(beta-D-glucopyranosyloxy)-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid|glucosilsteviol|steviol-13-O-D-glucopyranoside|steviolmonoside http://purl.obolibrary.org/obo/CHEBI_145029 3_STAR
CHEBI:145030 biolink:ChemicalSubstance steviolbioside A beta-D-glucoside that is steviolmonoside in which the hydroxy group at position 2 of the glucoside moiety has been converted into its beta-D-glucoside. CAS:41093-60-1|DrugBank:DB12434|FooDB:FDB015643|HMDB:HMDB0036707|KNApSAcK:C00034696|LIPID_MAPS_instance:LMPR01040122|MetaCyc:CPD-14503|PMID:15340201|PMID:15610349|PMID:1814608|PMID:22096997|PMID:26003514|PMID:26593477|PMID:26924787|PMID:27513814|PMID:27642557|PMID:27784241|PMID:28242916|PMID:30897351|PMID:32563799|PMID:33218179|PMID:34023281 phenio.json (-)-steviolbioside|13alpha-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid http://purl.obolibrary.org/obo/CHEBI_145030 3_STAR
CHEBI:145039 biolink:ChemicalSubstance polyunsaturated fatty ester Any fatty acid ester resulting from the formal esterification of the carboxy group of a polyunsaturated fatty acid. phenio.json polyunsaturated fatty acid ester|polyunsaturated fatty acid esters|polyunsaturated fatty esters http://purl.obolibrary.org/obo/CHEBI_145039 3_STAR
CHEBI:145047 biolink:ChemicalSubstance antispermatogenic agent An agent that destroy spermatozoa in the male genitalia and block spermatogenesis. PMID:16371305 phenio.json antispermatogenic|antispermatogenic agents|antispermatogenics http://purl.obolibrary.org/obo/CHEBI_145047 3_STAR
CHEBI:145072 biolink:ChemicalSubstance campesterol 3-beta-D-glucoside A sterol 3-beta-D-glucoside resulting from the formal condensation of the hydroxy group of campesterol with beta-D-glucopyranose. Found in cloves, common wheat, and peaches. CAS:32214-82-7|FooDB:FDB021715|LIPID_MAPS_instance:LMST01031126|PMID:23463370|PMID:25575593|PMID:26643965|PMID:28649260 phenio.json (24R)-ergost-5-en-3beta-yl beta-D-glucopyranoside|(3beta)-campest-5-en-3-yl D-glucopyranoside|3-O-(beta-D-glucopyranosyl)-campest-5-en-3beta-ol|campest-5-en-3beta-yl D-glucopyranoside|campesterol beta-D-glucoside|campesteryl 3-beta-D-glucoside|campesteryl beta-D-glucoside|campesteryl glucoside http://purl.obolibrary.org/obo/CHEBI_145072 3_STAR
CHEBI:145078 biolink:ChemicalSubstance 3-oxo aldehyde Any aldehyde having an oxo substituent at the 3-position. phenio.json 3-oxo aldehydes|3-oxo-aldehyde|3-oxo-aldehydes|3-oxoaldehyde|beta-oxo-aldehyde|beta-oxo-aldehydes http://purl.obolibrary.org/obo/CHEBI_145078 3_STAR
CHEBI:145122 biolink:ChemicalSubstance SKF-96365 free base An ether that is 2-(1H-imidazol-1-yl)-1-(4-methoxyphenyl)ethanol in which the hydrogen of the hydroxy group has been substituted by a 3-(4-methoxyphenyl)propyl group. LINCS:LSM-1766|PMID:25218985 phenio.json 1-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole|1-{2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl}-1H-imidazole|SK&F-96365 free base http://purl.obolibrary.org/obo/CHEBI_145122 3_STAR
CHEBI:145128 biolink:ChemicalSubstance SKF-96365 free base(1+) An organic cation obtained by protonation of the imidazole group of SKF-96365 free base. phenio.json 1-{2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl}-1H-imidazol-3-ium|SKF-96365 cation http://purl.obolibrary.org/obo/CHEBI_145128 3_STAR
CHEBI:145181 biolink:ChemicalSubstance 1-O-(1Z-hexadecenyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion PMID:31604315 phenio.json 1-O-(Z)-hexadec-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion|a 1-O-(1Z-hexadecenyl)-2-acyl-sn-glycero-3-phosphoethanolamine http://purl.obolibrary.org/obo/CHEBI_145181 2_STAR
CHEBI:145217 biolink:ChemicalSubstance epoxy steroid Any steroid whose structure includes an epoxy group. phenio.json epoxy steroids|epoxy-steroid|epoxy-steroids http://purl.obolibrary.org/obo/CHEBI_145217 3_STAR
CHEBI:145231 biolink:ChemicalSubstance N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine A dipeptide that is N-[(2S)-2-aminobutanoyl]glycine in which the terminal amino group has been acylated by formal condensation of the 5-carboxy group of 2-oxopentanedioic acid. PMID:28373563|PMID:30692244 phenio.json 5-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}amino)-2,5-dioxopentanoic acid|CLONE_N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine|N-[(2S)-2-(4-carboxy-4-oxobutanoylamino)butanoyl]glycine http://purl.obolibrary.org/obo/CHEBI_145231 3_STAR
CHEBI:145253 biolink:ChemicalSubstance hyaluronan synthesis inhibitor Any inhibitor that interferes with the synthesis of hyaluronic acid (HA, also known as hyaluronan). PMID:15373776|PMID:19444760|PMID:20332231|PMID:23288481|PMID:23426189|PMID:24141285|PMID:25537799|PMID:27706810 phenio.json HA synthesis inhibitor|HA synthesis inhibitors|hyaluronan synthesis inhibitors|hyaluronic acid synthesis inhibitor|hyaluronic acid synthesis inhibitors http://purl.obolibrary.org/obo/CHEBI_145253 3_STAR
CHEBI:145256 biolink:ChemicalSubstance 6,7-dihydroxy-4-methylcoumarin A hydroxycoumarin that is 4-methylcuomarin which is substituted by hydroxy groups at positions 3 and 4. A hyaluronan synthesis inhibitor. It has also been used as a fluorescent sensor to monitor the consumption of a boronic acid in Suzuki coupling reactions; fluorescence is readily detectable by the naked eye using a standard 365 nm UV lamp. CAS:529-84-0|PMID:17354230|PMID:20380826|PMID:21530605|PMID:22119283|PMID:23047850|PMID:23485680|PMID:23744425|PMID:25424619|PMID:25854527|PMID:26071545|PMID:2868641|PMID:29217385|PMID:29698774|PMID:3004169|PMID:3937451|PMID:508424|PMID:597417|PMID:597443|PMID:597444|PMID:603704|PMID:603706|PMID:6411101|PMID:6626341|PMID:6626355|PMID:7347133 phenio.json 4-methyl-6,7-dihydroxycoumarin|4-methylaesculetin|4-methylesculetin|4-methylesculetol|6,7-dihydroxy-4-methyl-2H-1-benzopyran-2-one|6,7-dihydroxy-4-methyl-2H-benzopyran-2-one|6,7-dihydroxy-4-methyl-2H-chromen-2-one|6,7-dihydroxy-4-methylchromen-2-one|methylesculetin http://purl.obolibrary.org/obo/CHEBI_145256 3_STAR
CHEBI:145324 biolink:ChemicalSubstance N(6)-lactoyl-L-lysine residue An N(6)-acyl-L-lysine residue that has lactoyl as the N(6)-acyl group. PMID:31645732 phenio.json N(6)-(2-hydroxypropanoyl)-L-lysine residue|N(6)-(lactoyl)-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_145324 3_STAR
CHEBI:145326 biolink:ChemicalSubstance 2,3-dehydroamino acid A dehydroamino acid whose side-chain contains a double bond at the 2-3 position. phenio.json 2,3-dehydroamino acids|alpha,beta-dehydroamino acid|alpha,beta-dehydroamino acids http://purl.obolibrary.org/obo/CHEBI_145326 3_STAR
CHEBI:145351 biolink:ChemicalSubstance 3beta-hydroxy-4alpha-hydroxymethyl-4beta-methylsteroid Any 3beta-hydroxy steroid which is substituted at the 4alpha and 4beta positions by hydroxymethyl and methyl groups, respectively. phenio.json http://purl.obolibrary.org/obo/CHEBI_145351 3_STAR
CHEBI:145353 biolink:ChemicalSubstance 3beta-hydroxy-4alpha-formyl-4beta-methylsteroid Any 3beta-hydroxy steroid which is substituted at the 4alpha and 4beta positions by formyl and methyl groups, respectively. phenio.json http://purl.obolibrary.org/obo/CHEBI_145353 3_STAR
CHEBI:145373 biolink:ChemicalSubstance pexidartinib A pyrrolopyridine that is 5-chloro-1H-pyrrolo[2,3-b]pyridine which is substituted by a [6-({[6-(trifluoromethyl)pyridin-3-yl]methyl}amino)pyridin-3-yl]methyl group at position 3. It is a potent multi-targeted receptor tyrosine kinase inhibitor of CSF-1R, KIT, and FLT3 (IC50 of 20 nM, 10 nM and 160 nM, respectively). Approved by the FDA for the treatment of adult patients with symptomatic tenosynovial giant cell tumor (TGCT). CAS:1029044-16-3|DrugBank:DB12978|KEGG:D11270|PDBeChem:P31|PMCID:PMC6012252|PMID:26222558|PMID:26449250|PMID:30002809|PMID:30628737|PMID:30825104|PMID:30926949|PMID:31167689|PMID:31213500|PMID:31229240|PMID:31240240|PMID:31258629|PMID:31602563|PMID:31696640|Wikipedia:Pexidartinib phenio.json 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine|CML-261|PLX-3397|PLX3397|Turalio|pexidartinib|pexidartinibum http://purl.obolibrary.org/obo/CHEBI_145373 3_STAR
CHEBI:145390 biolink:ChemicalSubstance N(6)-lactoyl-L-lysine An N(6)-acyl-L-lysine that has lactoyl as the N(6)-acyl group. phenio.json N(6)-(2-hydroxypropanoyl)-L-lysine|N(6)-lactoyl-L-lysine http://purl.obolibrary.org/obo/CHEBI_145390 3_STAR
CHEBI:145391 biolink:ChemicalSubstance N(6)-(2-hydroxyisobutanoyl)-L-lysine An N(6)-acyl-L-lysine that has 2-hydroxyisobutanoyl as the N(6)-acyl group. phenio.json N(6)-(2-hydroxy-2-methylpropanoyl)-L-lysine|N(6)-(2-hydroxyisobutanoyl)-L-lysine|N(6)-(2-hydroxyisobutyryl)-L-lysine http://purl.obolibrary.org/obo/CHEBI_145391 3_STAR
CHEBI:145393 biolink:ChemicalSubstance 2-acyl-sn-glycero-3-phosphoglycerol(1-) A 2-acylglycero-3-phospho-1'-glycerol(1-) obtained by deprotonation of the phosphate OH group of any 2-acyl-sn-glycero-3-phosphoglycerol; Major species at pH 7.3. PMID:25014274 phenio.json 1-lyso-2-acyl-sn-glycero-3-phosphoglycerol(1-)|a 2-acyl-sn-glycero-3-phosphoglycerol http://purl.obolibrary.org/obo/CHEBI_145393 3_STAR
CHEBI:145394 biolink:ChemicalSubstance 1,2-diacyl-sn-glycero-3-phosphoglycerol(1-) phenio.json 1,2-diacyl-sn-glycero-3-phospho-1'-glycerol|a 1,2-diacyl-sn-glycero-3-phosphoglycerol http://purl.obolibrary.org/obo/CHEBI_145394 2_STAR
CHEBI:145417 biolink:ChemicalSubstance rigosertib An N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine in which the double bond has E-configuration. It is a non-ATP-competitive inhibitor of PLK1 with an IC50 of 9 nM and exhibits anti-cancer properties. CAS:592542-59-1|DrugBank:DB12146|KEGG:D10154|LINCS:LSM-44531|PDBeChem:6FS|PMID:15766665|PMID:16223707|PMID:27150054|PMID:27764820|PMID:28985505|PMID:29070108|PMID:29144985|PMID:30956775|PMID:31299161|PMID:31312928|Wikipedia:Rigosertib phenio.json (E)-ON 01910|N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine|ON 01910|ON-01910|[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetic acid|rigosertib|rigosertibum http://purl.obolibrary.org/obo/CHEBI_145417 3_STAR
CHEBI:145422 biolink:ChemicalSubstance rigosertib(1-) A monocarboxylic acid anion that is the conjugate base of rigosertib, resulting from the deprotonation of the carboxy group. The major species at pH 7.3. phenio.json [2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate|rigosertib anion http://purl.obolibrary.org/obo/CHEBI_145422 3_STAR
CHEBI:145425 biolink:ChemicalSubstance EC 2.7.11.21 (polo kinase) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of any polo kinase (EC 2.7.11.21). Wikipedia:Polo_kinase phenio.json Cdc5 inhibitor|Cdc5 inhibitors|Cdc5p inhibitor|Cdc5p inhibitors|EC 2.7.11.21 (polo kinase) inhibitors|EC 2.7.11.21 inhibitor|EC 2.7.11.21 inhibitors|PLK inhibitor|PLK inhibitors|Plk inhibitor|Plk inhibitors|Plk1 inhibitor|Plk1 inhibitors|Plo1 inhibitor|Plo1 inhibitors|STK21 inhibitor|STK21 inhibitors|polo kinase inhibitor|polo kinase inhibitors|polo serine-threonine kinase inhibitor|polo serine-threonine kinase inhibitors|polo-like kinase 1 inhibitor|polo-like kinase 1 inhibitors|polo-like kinase inhibitor|polo-like kinase inhibitors|serine/threonine-specific Drosophila kinase polo inhibitor|serine/threonine-specific Drosophila kinase polo inhibitors http://purl.obolibrary.org/obo/CHEBI_145425 3_STAR
CHEBI:145427 biolink:ChemicalSubstance D-glucopyranose 6-sulfate(1-) An organosulfate oxoanion resulting from deprotonation of the sulfate OH group of D-glucopyranose 6-sulfate; major species at pH 7.3. MetaCyc:CPD-544 phenio.json 6-O-sulfonato-D-glucopyranose|D-glucose 6-sulfate http://purl.obolibrary.org/obo/CHEBI_145427 3_STAR
CHEBI:145436 biolink:ChemicalSubstance D-glucopyranose 6-sulfate A monosaccharide sulfate that is D-glucopyranose carrying a single sulfo substituent at position 6. KEGG:C02827|MetaCyc:CPD-544 phenio.json http://purl.obolibrary.org/obo/CHEBI_145436 3_STAR
CHEBI:145437 biolink:ChemicalSubstance uncoupling protein inhibitor Any inhibitor that acts on uncoupling protein. PMID:22420157|PMID:23008094|PMID:23609063|PMID:24904988|PMID:28089824|PMID:29858912|Patent:US2009258064|Patent:US7510710 phenio.json UCP inhibitor|UCP inhibitors|mitochondrial uncoupling protein inhibitor|mitochondrial uncoupling protein inhibitors|uncoupling protein inhibitors http://purl.obolibrary.org/obo/CHEBI_145437 3_STAR
CHEBI:145438 biolink:ChemicalSubstance C-X-C chemokine receptor type 4 antagonist An antogonist that blocks C-X-C chemokine receptor type 4 (CXCR-4). Wikipedia:CXCR4 phenio.json C-X-C chemokine receptor type 4 antagonists|C-X-C motif chemokine receptor 4 antagonist|C-X-C motif chemokine receptor 4 antagonists|CD184 antagonist|CD184 antagonists|CXCR-4 antagonist|CXCR-4 antagonists|CXCR4 antagonist|CXCR4 antagonists|chemokine (C-X-C motif) receptor 4 antagonist|chemokine (C-X-C motif) receptor 4 antagonists|fusin antagonist|fusin antagonists http://purl.obolibrary.org/obo/CHEBI_145438 3_STAR
CHEBI:145470 biolink:ChemicalSubstance sophoroside Any glycoside of sophorose (2-O-beta-D-glucopyranosyl-D-glucopyranose). phenio.json sophorosides http://purl.obolibrary.org/obo/CHEBI_145470 3_STAR
CHEBI:145478 biolink:ChemicalSubstance beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine(1+) A primary ammonium ion derivative resulting from the protonation of the primary amino group of beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine. The major species at pH 7.3. MetaCyc:CPD-13516|PMID:15136574|PMID:28130448 phenio.json 2-acetamido-4-O-(2-ammonio-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-D-glucopyranose|2-ammonio-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose|beta-D-GlcN-(1->4)-GlcNAc(1+)|beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine http://purl.obolibrary.org/obo/CHEBI_145478 3_STAR
CHEBI:145498 biolink:ChemicalSubstance donepezil (1+) A piperidinium ion resulting from the protonation of amino group of donepezil. phenio.json 1-benzyl-4-[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]piperidinium http://purl.obolibrary.org/obo/CHEBI_145498 3_STAR
CHEBI:145499 biolink:ChemicalSubstance 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group. phenio.json 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one http://purl.obolibrary.org/obo/CHEBI_145499 3_STAR
CHEBI:145502 biolink:ChemicalSubstance (R)-donepezil(1+) A piperidinium ion resulting from the protonation of the amino group of (R)-donepezil. phenio.json (2R)-1-benzyl-4-[(5,6-dimethoxy-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl]piperidinium http://purl.obolibrary.org/obo/CHEBI_145502 3_STAR
CHEBI:145503 biolink:ChemicalSubstance (S)-donepezil(1+) phenio.json http://purl.obolibrary.org/obo/CHEBI_145503 1_STAR
CHEBI:145515 biolink:ChemicalSubstance GABAA receptor antagonist phenio.json http://purl.obolibrary.org/obo/CHEBI_145515 1_STAR
CHEBI:145543 biolink:ChemicalSubstance viteagnusin D A labdane diterpenoid resulting from the formal allylic rearrangement of the allylic hydroxy group of peregrinol. CAS:1123613-64-8|KNApSAcK:C00032497|PMID:29315936 phenio.json (+)-vkiteagnusin D|(1R,2R,4aS,8aS)-1-(3-hydroxy-3-methylpent-4-en-1-yl)-2,5,5,8a-tetramethyldecahydronaphthalen-1-ol|viteagnusin D http://purl.obolibrary.org/obo/CHEBI_145543 3_STAR
CHEBI:145544 biolink:ChemicalSubstance S-nitrosoglutathione(1-) A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of S-nitrosoglutathione; major species at pH 7.3. MetaCyc:S-NITROSOGLUTATHIONE phenio.json (2S)-2-ammonio-5-{[(2S)-1-[(carboxylatomethyl)amino]-3-(nitrosothio)-1-oxopropan-2-yl]amino}-5-oxopentanoate|(2S)-2-azaniumyl-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-(nitrososulfanyl)-1-oxopropan-2-yl]amino}-5-oxopentanoate|GSNO(1-)|L-gamma-glutamyl-S-nitroso-L-cysteinylglycine(1-)|S-nitrosoglutathione http://purl.obolibrary.org/obo/CHEBI_145544 3_STAR
CHEBI:145545 biolink:ChemicalSubstance nitrosothio compound Any nitroso compound in which a carbon atom of an organyl group is attached to the sulfur atom of a nitrosothio group: R-S-N=O. phenio.json S-nitrosothiol compound|S-nitrosothiols|SNO compound|nitrosothio compounds http://purl.obolibrary.org/obo/CHEBI_145545 2_STAR
CHEBI:145549 biolink:ChemicalSubstance labd-13(16),14-diene-9-ol A labdane diterpenoid resulting from the formal dehydration of the allylic hydroxy group of peregrinol. PMID:29315936 phenio.json (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylenepent-4-en-1-yl)decahydronaphthalen-1-ol|labd-13(16),14-diene-9-ol http://purl.obolibrary.org/obo/CHEBI_145549 3_STAR
CHEBI:145550 biolink:ChemicalSubstance peregrinol A labdane diterpenoid that is labdane which has been hydroxylated at position 5 of the decalin ring and in which the 3-methylpentyl substituent (also at position 5 of the decalin ring) has been dehydrogenated to introduce a trans double bond at the 3-4 position and hydroxylated at position 5. CAS:17140-23-7|KNApSAcK:C00023322|MetaCyc:CPD-20438|PMID:29315936 phenio.json (1R,2R,4aS,8aS)-1-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-1-ol|peregrinol http://purl.obolibrary.org/obo/CHEBI_145550 3_STAR
CHEBI:145552 biolink:ChemicalSubstance labd-13Z-ene-9,15,16-triol A labdane diterpenoid that is peregrinol in which one of the hydrogens of the methyl group attached to the double bond has been replaced by a hydroxy group. PMID:29315936 phenio.json (2Z)-2-{2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]ethyl}but-2-ene-1,4-diol|labd-13Z-ene-9,15,16-triol http://purl.obolibrary.org/obo/CHEBI_145552 3_STAR
CHEBI:145555 biolink:ChemicalSubstance macropolylide Macrolides (macrocyclic lactones) in which the macrocyclic ring contains more than one ester linkage. Macropolylides include macrodiolides, macrotriolides, macrotetrolides and macropentolides, each containing di-, tri-, tetra-, and penta- ester linkages, respectively, in one macrocyclic ring. Macrocyclic lactones containing nitrogen in their skeletons (azamacrolides and macrolide lactams) and also containing oxazole or thiazole in their skeletons are known in nature. phenio.json macropolylides http://purl.obolibrary.org/obo/CHEBI_145555 3_STAR
CHEBI:145556 biolink:ChemicalSubstance macrodiolide A macropolylide which contains two ester linkages in one macrocyclic ring. PMID:17446696|PMID:29624065|PMID:29671776|PMID:31247219 phenio.json macrodiolides http://purl.obolibrary.org/obo/CHEBI_145556 3_STAR
CHEBI:145559 biolink:ChemicalSubstance macrotriolide A macropolylide which contains three ester linkages in one macrocyclic ring. phenio.json http://purl.obolibrary.org/obo/CHEBI_145559 3_STAR
CHEBI:145565 biolink:ChemicalSubstance macrolide lactam A macrolide in which the macrocyclic lactone ring includes an amide group. PMID:11678663|PMID:12227772|PMID:15248618|PMID:17378533|PMID:31226284 phenio.json macrolide lactams http://purl.obolibrary.org/obo/CHEBI_145565 3_STAR
CHEBI:145566 biolink:ChemicalSubstance syn-isopimara-7,15-diene A carbotricyclic compound that is isopimarane with double bonds introduced at the 7-8 and 15-16 positions and in which the hydrogen at position 9 is beta instead of alpha. PMID:23009879|PMID:26749264|PMID:29315936 phenio.json 9beta,13alpha-pimara-7,15-diene|syn-isopimara-7,15-diene http://purl.obolibrary.org/obo/CHEBI_145566 3_STAR
CHEBI:145599 biolink:ChemicalSubstance normethylfondaparinux A heparin pentasaccharide resulting from the hydrolysis of the O-methyl group of fondaparinux. GlyGen:G27775IZ|GlyTouCan:G27775IZ phenio.json 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->4)-2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-2-O-sulfo-alpha-L-idopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose|GlcNS6S(a1-4)GlcA(b1-4)GlcNS3S6S(a1-4)IdoA2S(a1-4)a-GlcNS6S|WURCS=2.0/4,5,4/[a2122h-1a_1-5_2*NSO/3=O/3=O_6*OSO/3=O/3=O][a2121A-1a_1-5_2*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O_3*OSO/3=O/3=O_6*OSO/3=O/3=O][a2122A-1b_1-5]/1-2-3-4-1/a4-b1_b4-c1_c4-d1_d4-e1 http://purl.obolibrary.org/obo/CHEBI_145599 3_STAR
CHEBI:145656 biolink:ChemicalSubstance galactoxylomannan An exopolysaccharide composed of an alpha-(1->6)-galactan backbone containing four potential short oligosaccharide branch structures, produced by the human pathogenic fungus Cryptococcus neoformans, that produces immune paralysis in some animals, including humans. CAS:70903-49-0|PMID:16441437|PMID:18952901|PMID:19345342|PMID:19414751|PMID:19684080|PMID:20856869|PMID:21178496|PMID:21238568|PMID:21843086|PMID:23308194|PMID:6367980|PMID:9691456 phenio.json GalXM|glucuronoxylomannogalactan http://purl.obolibrary.org/obo/CHEBI_145656 3_STAR
CHEBI:145663 biolink:ChemicalSubstance 2-(beta-D-glucopyranosyloxy)benzoic acid A 2-(D-glucosyloxy)benzoic acid with beta configuration at the anomeric centre. CAS:10367-11-0|PMID:18182429|PMID:19117519|PMID:19449088|PMID:19714359|PMID:22118617|PMID:26241499|PMID:30294315|PMID:9662552 phenio.json 2-(beta-D-glucopyranosyloxy)benzoic acid|2-O-(beta-D-glucosyl)salicylic acid|2-O-beta-glucopyranosylsalicylic acid|2-carboxyphenyl beta-D-glucopyranoside|2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}benzoic acid|salicylic acid 2-O-beta-D-glucoside|salicylic acid beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_145663 3_STAR
CHEBI:145670 biolink:ChemicalSubstance 2-(beta-D-glucopyranosyloxy)benzoate A benzoate resulting from the removal of a proton from the carboxylic acid group of 2-(beta-D-glucopyranosyloxy)benzoic acid. PMID:19117519|PMID:30294315|PMID:9662552 phenio.json 2-(beta-D-glucopyranosyloxy)benzoate|2-(beta-D-glucosyloxy)benzoate|2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}benzoate|salicylate 2-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_145670 3_STAR
CHEBI:145673 biolink:ChemicalSubstance tandospirone A dicarboximide that is (3aR,4S,7R,7aS)-hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione which is substituted by a 4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl group at position 2. It is a potent and selective 5-HT1A receptor partial agonist (Ki = 27 nM). CAS:87760-53-0|DrugBank:DB12833|Drug_Central:2563|KEGG:D08561|PMID:18062405|PMID:1970610|PMID:1971265|PMID:1974152|PMID:1981263|PMID:20676611|PMID:24207070|PMID:25170231|PMID:2572002|PMID:25804359|PMID:25879718|PMID:26027828|PMID:2895201|PMID:2897609|PMID:2898033|PMID:29254282|PMID:29433063|PMID:30204599|PMID:30628997|PMID:30822365|PMID:31509356|PMID:31643024|Wikipedia:Tandospirone phenio.json (3aR,4S,7R,7aS)-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione|SM 3997|SM-3997|tandospirona|tandospirone|tandospironum http://purl.obolibrary.org/obo/CHEBI_145673 3_STAR
CHEBI:145674 biolink:ChemicalSubstance tandospirone(1+) An ammonium ion resulting from the addition of a proton to the piperazine nitrogen which is attached to the alkyl chain. The major species at pH 7.3. phenio.json 1-{4-[(3aR,4S,7R,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]butyl}-4-(pyrimidin-2-yl)piperazin-1-ium|tandospirone cation http://purl.obolibrary.org/obo/CHEBI_145674 3_STAR
CHEBI:145681 biolink:ChemicalSubstance beta-D-glucosyl salicylate A D-glucosyl salicylate in which the glucosyl moiety has beta-configuration at the anomeric centre. A transferrin binding compound used in research for cancer therapy. CAS:60517-74-0|MetaCyc:CPD-12629 phenio.json 1-O-(2-hydroxybenzoyl)-beta-D-glucopyranose|1-O-(o-hydroxybenzoyl)-beta-D-glucopyranose|1-O-salicyl-beta-D-glucose|beta-D-glucopyranosyl salicylate|salicylate-beta-D-glucose ester|salicylic acid acyl beta-D-glucoside|salicylic acid beta-D-glucopyranosyl ester|salicylic acid beta-D-glucose ester http://purl.obolibrary.org/obo/CHEBI_145681 3_STAR
CHEBI:145694 biolink:ChemicalSubstance 8-oxo-GMP(2-) phenio.json 8-oxo-GMP http://purl.obolibrary.org/obo/CHEBI_145694 2_STAR
CHEBI:145698 biolink:ChemicalSubstance amezinium A pyridazinium ion that is pyridazin-1-ium which is substituted by a phenyl, amino and methoxy groups at positions 1, 4 and 6, respectively. Beilstein:4141517|CAS:41658-78-0|Drug_Central:153|PMID:10481962|PMID:11145175|PMID:11433766|PMID:11451005|PMID:11876436|PMID:12746100|PMID:2564830|PMID:2863856|PMID:6419132|PMID:7030355|PMID:7197966|PMID:7197974|PMID:7197975|PMID:7197976|PMID:7197978|PMID:8740147|PMID:9203481 phenio.json 4-amino-6-methoxy-1-phenyl-pyridazinium|4-amino-6-methoxy-1-phenylpyridazin-1-ium|amezinium(1+) http://purl.obolibrary.org/obo/CHEBI_145698 3_STAR
CHEBI:145699 biolink:ChemicalSubstance pyridazinium ion An organic cation resulting from the protonation of one of the nitrogens of pyridazine or its derivatives. phenio.json pyridazinium ions http://purl.obolibrary.org/obo/CHEBI_145699 3_STAR
CHEBI:1457 biolink:ChemicalSubstance 3-aminopropanesulfonic acid An amino sulfonic acid that is the 3-amino derivative of propanesulfonic acid. CAS:3687-18-1|KEGG:C03349|KEGG:D06202|PDBeChem:A20|PMCID:PMC6513583|PMID:22961121|PMID:23070966|PMID:25295005|PMID:29063518|PMID:29244487|PMID:30455639|PMID:30877726|PMID:31816880|PMID:32340314|PMID:32733362|PMID:32774284|PMID:33260376|PMID:33633656|PMID:33686135|PMID:33826295|PMID:34399181|PMID:35301136|PMID:35515001|PMID:36113682|PMID:36460715|PMID:37239149|PMID:37280636|Patent:AU2007357451|Patent:WO2007023389|Wikipedia:Homotaurine phenio.json 3-amino-1-propanesulfonic acid|3-aminopropane-1-sulfonic acid|3-aminopropiosulfonic acid|3-sulfopropylamine|gamma-aminopropylsulfonic acid|homotaurine|tramiprosate|tramiprosato|tramiprosatum http://purl.obolibrary.org/obo/CHEBI_1457 3_STAR
CHEBI:145705 biolink:ChemicalSubstance prednisolone phosphate A synthetic glucocorticoid resulting from the formal condensation of the 21-hydroxy group of prednisolone with one of the hydroxy groups of phosphoric acid. It is a prodrug for prednisolone that is activated in vivo by phosphatases. CAS:302-25-0|DrugBank:DB14631|Drug_Central:4451|PMID:13783671|PMID:15802017|PMID:18283332|PMID:21896328|PMID:25791805|PMID:26319748|PMID:30547315|PMID:31578578|PMID:5090826 phenio.json 11beta,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate|prednisolone 21-(dihydrogen phosphate)|prednisolone 21-monophosphate|prednisolone 21-phosphate http://purl.obolibrary.org/obo/CHEBI_145705 3_STAR
CHEBI:145706 biolink:ChemicalSubstance prednisolone phosphate(2-) A steroid phosphate oxoanion which is the dianion obtained by the deprotonation of the phosphate OH groups of prednisolone phosphate. phenio.json 11beta,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl phosphate http://purl.obolibrary.org/obo/CHEBI_145706 3_STAR
CHEBI:145707 biolink:ChemicalSubstance glycosylarabinose A disaccharide having arabinose at the reducing end with a glycosyl residue attached at an unspecified position via a glycosidic bond. phenio.json glycosylarabinoses http://purl.obolibrary.org/obo/CHEBI_145707 3_STAR
CHEBI:145714 biolink:ChemicalSubstance tiquizium A member of the class of quinolizines that is trans-5-methyloctahydro-2H-quinolizinium which is substituted by a di(thiophen-2-yl)methylidene group at position 3. Its bromide salt is used as an antispasmodic drug. CAS:149755-23-7|Drug_Central:2678|PMID:2895053|PMID:2895054|PMID:3656779 phenio.json (5R,9aR)-3-[di(thiophen-2-yl)methylidene]-5-methyloctahydro-2H-quinolizin-5-ium|(5R,9aR)-3-[di(thiophen-2-yl)methylidene]-5-methyloctahydro-2H-quinolizinium|3-(di-2-thienylmethylene)-octahydro-5-methyl-trans-quinolizinium|trans-3-(di-2-thienylmethylene)octahydro-5-methyl-2H-quinolizinium http://purl.obolibrary.org/obo/CHEBI_145714 3_STAR
CHEBI:145715 biolink:ChemicalSubstance hex-3-en-1-ol A primary alcohol that is hex-3-ene substituted by a hydroxy group at position 1. AGR:IND606260054|CAS:544-12-7|PMID:25809070|PMID:30042579 phenio.json 3-hexen-1-ol|3-hexenol|hex-3-en-1-ol http://purl.obolibrary.org/obo/CHEBI_145715 3_STAR
CHEBI:145777 biolink:ChemicalSubstance beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine A member of the class of chitobioses consisting of N-acetyl-D-glucosamine having a beta-D-glucosaminyl residue attached at the 4-position. MetaCyc:CPD-13516|PMID:15136574|PMID:28130448|PMID:8987672 phenio.json 2-acetamido-4-O-(2-amino-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-D-glucopyranose|2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose|2-amino-beta-D-glucopyranosyl-(1->4)-2-acetamido-D-glucopyranose|GlcN(b1-4)GlcNAc|beta-D-GlcN-(1->4)-GlcNAc http://purl.obolibrary.org/obo/CHEBI_145777 3_STAR
CHEBI:145790 biolink:ChemicalSubstance mupirocin(1-) A monocarboxylic acid anion that is the conjugate base of mupirocin obtained by the deprotonation of the carboxy group; major microspecies at pH 7.3. phenio.json 9-({(2E)-4-[(2S,3R,4R,5S)-3,4-dihydroxy-5-({(2S,3S)-3-[(2S,3S)-3-hydroxybutan-2-yl]oxiran-2-yl}methyl)tetrahydro-2H-pyran-2-yl]-3-methylbut-2-enoyl}oxy)nonanoate http://purl.obolibrary.org/obo/CHEBI_145790 3_STAR
CHEBI:145791 biolink:ChemicalSubstance trospium A carboxylic ester resulting from the formal condensation of the carboxy group of hydroxy(diphenyl)acetic acid with the hydroxy group of (1S,3R,5R)-3-hydroxy-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium. Its chloride salt is used to treat overactive bladder. CAS:47608-32-2|DrugBank:DB00209|Drug_Central:2776|HMDB:HMDB0014354|PMID:21212936|PMID:26186951|PMID:28247723|PMID:30656943|PMID:30697533|PMID:31602966 phenio.json (1S,3R,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium|(1alpha,3beta,5alpha)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium]|tropsium cation|tropsium ion http://purl.obolibrary.org/obo/CHEBI_145791 3_STAR
CHEBI:145795 biolink:ChemicalSubstance digoxin(1-) An organic anion that is the conjugate base of digoxin resulting from the deprotonation of furanone moiety; major species at pH 7.3. PMID:31994361|PMID:32272101|PMID:32464466|PMID:32488807|PMID:32546555|PMID:32603789 phenio.json 12beta,14-dihydroxy-17beta-(5-oxo-2,5-dihydrofuran-2-id-3-yl)-5beta,14beta-androstan-3beta-yl 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranoside|digoxin|digoxin anion http://purl.obolibrary.org/obo/CHEBI_145795 3_STAR
CHEBI:145796 biolink:ChemicalSubstance digitoxin(1-) An organic anion that is the conjugate base of digitoxin resulting from the deprotonation of furanone moiety; major species at pH 7.3. phenio.json digitoxin|digitoxin anion http://purl.obolibrary.org/obo/CHEBI_145796 3_STAR
CHEBI:145798 biolink:ChemicalSubstance ouabain(1-) An organic anion that is the conjugate base of ouabain resulting from the deprotonation of the furanone moiety; major species at pH 7.3. PMID:31075189|PMID:31087249|PMID:31170971|PMID:32326025|PMID:32368275|PMID:32488807|PMID:32651756 phenio.json 1beta,5,11alpha,14,19-pentahydroxy-17beta-(5-oxo-2,5-dihydrofuran-2-id-3-yl)-5beta,14beta-androstan-3beta-yl 6-deoxy-alpha-L-mannopyranoside|ouabain|ouabain anion http://purl.obolibrary.org/obo/CHEBI_145798 3_STAR
CHEBI:145800 biolink:ChemicalSubstance AS1842856 A quinolone that is 4-quinolone substituted at positions 1, 3, 5, 6 and 7 by ethyl, carboxy, amino, fluorine, and cyclohexylamino groups, respectively. It can directly bind to and block the transcription activity of the active forkhead box protein O1 (Foxo1), but not the Ser256-phosphorylated form. It induces cell death and growth arrest in Burkitt lymphoma cell lines at low concentrations. CAS:836620-48-5|PMID:20736318|PMID:24807827|PMID:25483084|PMID:26239835|PMID:26502358|PMID:27260854|PMID:28215713|PMID:28687587|PMID:28888048|PMID:29157981|PMID:30404794|PMID:30611853|PMID:31042779|PMID:31085234|PMID:31146723|PMID:31298345|PMID:31557894|PMID:31579588|PMID:31655022 phenio.json 5-amino-7-(cyclohexylamino)-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid|5-amino-7-(cyclohexylamino)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid|AS 1842856|AS-1842856|FOXO1 inhibitor http://purl.obolibrary.org/obo/CHEBI_145800 3_STAR
CHEBI:145806 biolink:ChemicalSubstance (R)-(+)-perillyl alcohol A perillyl alcohol in which the chiral centre has R configuration. CAS:57717-97-2|FooDB:FDB014924|HMDB:HMDB0036087|KNApSAcK:C00010884|MetaCyc:CPD-17084|PMID:28233648|PMID:28594456|PMID:29716998 phenio.json (+)-perillyl alcohol|(4R)-perillyl alcohol|(R)-p-mentha-1,8-dien-7-ol|(R)-perillyl alcohol|[(4R)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol|d-perillyl alcohol http://purl.obolibrary.org/obo/CHEBI_145806 3_STAR
CHEBI:145807 biolink:ChemicalSubstance forkhead box protein O1 inhibitor Any inhibitor that acts on forkhead box protein O1 (FOXO1). PMID:20655898|PMID:26239835|PMID:28653156 phenio.json FOXO1 inhibitor|FOXO1 inhibitors|Foxo1 inhibitor|Foxo1 inhibitors|forkhead box protein O1 inhibitors|forkhead in rhabdomyosarcoma inhibitor|forkhead in rhabdomyosarcoma inhibitors http://purl.obolibrary.org/obo/CHEBI_145807 3_STAR
CHEBI:145810 biolink:ChemicalSubstance insulin A peptide hormone which consists of two polypeptide chains, A- and B- chains which are linked together by disulfide bonds. The amino acid sequence of insulin varies across species and certain segments of the molecule are highly conserved. In most species, the A chain consists of 21 amino acids and the B chain consists of 30 amino acids. In mammals, insulin is synthesised in the pancreas within the beta cells whereas in certain species of fish, the insulin-producing tissue is uniquely located in separate structures called Brockmann bodies. PMID:12137720|PMID:19251032|PMID:25848166|PMID:5941964|PMID:6069707|Wikipedia:Insulin phenio.json http://purl.obolibrary.org/obo/CHEBI_145810 3_STAR
CHEBI:145813 biolink:ChemicalSubstance D-cystine zwitterion A cysteine zwitterion derived from D-cysteine by transfer of a proton from each of the carboxy groups to the amino groups. MetaCyc:CPD0-1564 phenio.json (2S,2'S)-3,3'-disulfanediylbis(2-ammoniopropanoate)|(2S,2'S)-3,3'-dithiobis(2-ammoniopropanoate)|D-cystine http://purl.obolibrary.org/obo/CHEBI_145813 3_STAR
CHEBI:145814 biolink:ChemicalSubstance EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitor Any EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor that inhibits the action of aspartate-semialdehyde dehydrogenase (EC 1.2.1.11). PMID:14726201|PMID:26404410|Wikipedia:Aspartate-semialdehyde_dehydrogenase phenio.json ASA dehydrogenase inhibitor|ASA dehydrogenase inhibitors|EC 1.2.1.11 (aspartate-semialdehyde dehydrogenase) inhibitors|EC 1.2.1.11 inhibitor|EC 1.2.1.11 inhibitors|L-aspartate-4-semialdehyde:NADP+ oxidoreductase (phosphorylating) inhibitor|L-aspartate-4-semialdehyde:NADP+ oxidoreductase (phosphorylating) inhibitors|L-aspartate-beta-semialdehyde:NADP oxidoreductase (phosporylating) inhibitor|L-aspartate-beta-semialdehyde:NADP oxidoreductase (phosporylating) inhibitors|aspartate semialdehyde dehydrogenase inhibitor|aspartate semialdehyde dehydrogenase inhibitors|aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) inhibitor|aspartate-semialdehyde dehydrogenase (EC 1.2.1.11) inhibitors|aspartate-semialdehyde dehydrogenase inhibitor|aspartate-semialdehyde dehydrogenase inhibitors|aspartic beta-semialdehyde dehydrogenase inhibitor|aspartic beta-semialdehyde dehydrogenase inhibitors|aspartic semialdehyde dehydrogenase inhibitor|aspartic semialdehyde dehydrogenase inhibitors http://purl.obolibrary.org/obo/CHEBI_145814 3_STAR
CHEBI:145828 biolink:ChemicalSubstance methyl 3,4,5-trihydroxybenzoate A gallate ester obtained by the formal condensation of gallic acid with methanol. It exhibits anti-oxidant, anti-tumor, anti-microbial and anti-inflammatory properties. CAS:99-24-1|FooDB:FDB000663|KNApSAcK:C00030754|PMID:10346950|PMID:12094296|PMID:2437251|PMID:27227459|PMID:27592552|PMID:28272351|PMID:2840133|PMID:28744880|PMID:29116460|PMID:29120784|PMID:29847215|PMID:30314293|PMID:30886338|PMID:31151650|PMID:31557976|PMID:31890180|Reaxys:2113180|Wikipedia:Methyl_gallate phenio.json 3,4,5-trihydroxy-benzoic acid methyl ester|gallic acid methyl ester|methyl 3,4,5-trihydroxybenzoate|methyl gallate|methylgallate http://purl.obolibrary.org/obo/CHEBI_145828 3_STAR
CHEBI:145853 biolink:ChemicalSubstance N(6)-methyl-2'-O-methyladenosine monophosphate(1-) residue An organic anionic group obtained by deprotonation of the phosphate OH groups of N(6)-methyl-2'-O-methyladenosine residue; major species at pH 7.3. PMID:31913360 phenio.json N(6)-methyl-2'-O-methyladenosine monophosphate residue|m(6)Am residue http://purl.obolibrary.org/obo/CHEBI_145853 2_STAR
CHEBI:145902 biolink:ChemicalSubstance 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose(1-) phenio.json 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose http://purl.obolibrary.org/obo/CHEBI_145902 2_STAR
CHEBI:145924 biolink:ChemicalSubstance Kaletra A mixture containing lopinavir and ritonavir. It is a prescription medicine that is used with other antiretroviral medicines to treat Human Immunodeficiency Virus-1 (HIV-1) infection in adults and children 14 days of age and older. CAS:369372-47-4|KEGG:D02498|PMCID:PMC6255574|PMID:17565464|PMID:19480095|PMID:24516081|PMID:25656621|PMID:26953282|PMID:29136115|PMID:29584910|PMID:29602711|PMID:29959798|PMID:30174599|PMID:30346663|PMID:30549217|PMID:30798695|PMID:30814028|PMID:30909871|PMID:30995874|PMID:31081020|PMID:31139825|PMID:31334298|PMID:31490959|PMID:31612827|PMID:31704214|PMID:31920659|Wikipedia:Lopinavir/ritonavir phenio.json ABT-378 & ABT-538|Aluvia|Kaletra|Lopimune|lopinavir & ritonavir|lopinavir and ritonavir|lopinavir mixture with ritonavir|lopinavir-ritonavir|lopinavir-ritonavir mixt|lopinavir/ritonavir|ritonavir and lopinavir mixture|ritonavir-boosted lopinavir http://purl.obolibrary.org/obo/CHEBI_145924 3_STAR
CHEBI:145927 biolink:ChemicalSubstance 4-(indol-3-yl)butanoyl-beta-D-glucose A beta-D-glucoside resulting from the formal condensation of 1-hydroxy group of beta-D-glucopyranose with the carboxy group of indole-3-butyric acid. MetaCyc:CPD-12621|PMID:15779830|PMID:19885676|PMID:20798329 phenio.json (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl 4-(1H-indol-3-yl)butanoate|1-O-[4-(1H-indol-3-yl)butanoyl]-beta-D-glucopyranose|1H-indole-3-butyric acid beta-D-glucopyranosyl ester|4-(indol-3-yl)butanoyl-beta-D-glucose|IBA-beta-D-Glc|IBA-beta-D-glucopyranose|IBA-beta-D-glucose|indole-3-butyryl-beta-D-glucose http://purl.obolibrary.org/obo/CHEBI_145927 3_STAR
CHEBI:145932 biolink:ChemicalSubstance (S)-2-methylbutanoate A branched-chain saturated fatty acid anion resulting from the deprotonation of the carboxy group of (S)-2-methylbutanoic acid. The major species at pH 7.3. PMID:16819884 phenio.json (2S)-2-methylbutanoate|(2S)-2-methylbutyrate|(2S)-2-methylbutyric acid anion|(S)-2-methylbutanoate|(S)-2-methylbutyrate|(S)-alpha-methylbutyrate http://purl.obolibrary.org/obo/CHEBI_145932 3_STAR
CHEBI:145944 biolink:ChemicalSubstance 4alpha-hydroxymethyl steroid Any steroid which is substituted by a hydroxymethyl group at the 4alpha position. phenio.json http://purl.obolibrary.org/obo/CHEBI_145944 3_STAR
CHEBI:145946 biolink:ChemicalSubstance N-acetyl-D-leucinate An N-acyl-D-alpha-amino acid anion that is the conjugate base of N-acetyl-D-leucine: major species at pH 7.3. PMID:26607469 phenio.json (2R)-2-acetamido-4-methylpentanoate|N-acetyl-D-Leu(1-)|N-acetyl-D-leucinate anion|N-acetyl-D-leucine|N-acetyl-D-leucine(1-) http://purl.obolibrary.org/obo/CHEBI_145946 3_STAR
CHEBI:145947 biolink:ChemicalSubstance antiatherosclerotic agent A cardiovascular drug that prevents atherosclerosis (a disease in which the inside of an artery narrows due to the build up of plaque). Compare with antiatherogenic agent. phenio.json anti-atherosclerotic agent|anti-atherosclerotic agents|anti-atherosclerotic drug|anti-atherosclerotic drugs|antiatherosclerotic agent|antiatherosclerotic agents|antiatherosclerotic drug|antiatherosclerotic drugs http://purl.obolibrary.org/obo/CHEBI_145947 3_STAR
CHEBI:145951 biolink:ChemicalSubstance 4-hydroxymethylsteroid Any steroid which is substituted by a hydroxymethyl group at position 4. phenio.json http://purl.obolibrary.org/obo/CHEBI_145951 3_STAR
CHEBI:145952 biolink:ChemicalSubstance 4-formyl steroid A steroid aldehyde that is any steroid which is substituted by a formyl group at position 4. phenio.json 4-formyl steroids http://purl.obolibrary.org/obo/CHEBI_145952 3_STAR
CHEBI:145954 biolink:ChemicalSubstance 4alpha-formyl steroid Any 4-formyl steroid in which the formyl group at position 4 has alpha- configuration. phenio.json 4alpha-formyl steroid|4alpha-formyl steroids http://purl.obolibrary.org/obo/CHEBI_145954 3_STAR
CHEBI:14597 biolink:ChemicalSubstance methylarsonite An arsenic oxoanion obtained deprotonation of both arsenite OH groups of methylarsonous acid. Reaxys:11246400 phenio.json [As(CH3)O2](2-)|methylarsonite http://purl.obolibrary.org/obo/CHEBI_14597 3_STAR
CHEBI:145989 biolink:ChemicalSubstance 3-phosphonatoshikimate(3-) Trianion of 3-phosphoshikimic acid arising from deprotonation of the phosphate and carboxy groups; major species at pH 7.3. Beilstein:4882573 phenio.json 3-phosphonatoshikimate trianion|3-phosphoshikimate|rel-(3R,4S,5R)-4,5-dihydroxy-3-(phosphonatooxy)cyclohex-1-ene-1-carboxylate http://purl.obolibrary.org/obo/CHEBI_145989 3_STAR
CHEBI:145992 biolink:ChemicalSubstance orlandin(1-) A phenolate anion resulting from the deprotonation of the 7-hydroxy group orlandin. It is the major microspecies at pH 7.3. PMID:447931 phenio.json 7'-hydroxy-4,4'-dimethoxy-5,5'-dimethyl-2,2'-dioxo-2H,2'H-[8,8'-bi-1-benzopyran]-7-olate|7'-hydroxy-4,4'-dimethoxy-5,5'-dimethyl-2,2'-dioxo-2H,2'H-[8,8'-bichromen]-7-olate|orlandin|orlandin anion http://purl.obolibrary.org/obo/CHEBI_145992 3_STAR
CHEBI:145994 biolink:ChemicalSubstance remdesivir A carboxylic ester resulting from the formal condensation of the carboxy group of N-[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]-L-alanine with the hydroxy group of 2-ethylbutan-1-ol. A broad-spectrum antiviral prodrug with potent in vitro antiviral activity against a diverse panel of RNA viruses such as Ebola virus, MERS-CoV and SARS-CoV. It is currently in Phase III clinical trials for the treatment of Covid-19 in adults. CAS:1809249-37-3|DrugBank:DB14761|KEGG:D11472|PMCID:PMC5630887|PMID:26934220|PMID:28124907|PMID:28262699|PMID:28659436|PMID:29511076|PMID:30275474|PMID:30987343|PMID:31142680|PMID:31233808|PMID:31924756|PMID:32020029|PMID:32054787|PMID:32094225|PMID:32145386|PMID:32147516|PMID:32152082|Wikipedia:Remdesivir phenio.json (2S)-2-{(2R,3S,4R,5R)-[5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]phenoxy-(S)-phosphorylamino}propionic acid 2-ethyl-butyl ester|2-ethylbutyl (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate|2-ethylbutyl N-[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]-L-alaninate|GS 5734|GS-5734|GS5734|remdesivir|remdesivirum http://purl.obolibrary.org/obo/CHEBI_145994 3_STAR
CHEBI:145999 biolink:ChemicalSubstance cinanserin An aryl sulfide that is (2E)-3-phenyl-N-(2-sulfanylphenyl)prop-2-enamide in which the hydrogen of the thiol group is substituted by a 3-(dimethylamino)propyl group. It is a 5-hydroxytryptamine receptor antagonist and an inhibitor of SARS-CoV replication. CAS:1166-34-3|PMID:1178659|PMID:1301238|PMID:142996|PMID:15890949|PMID:18827378|PMID:23131569|PMID:23523219|PMID:24971515|PMID:26851778|PMID:30417783|PMID:3237811|PMID:4254977|PMID:4725521|PMID:4776363|PMID:4929084|PMID:4939050|PMID:4946100|PMID:5348442|PMID:5409554|PMID:7667390|Wikipedia:Cinanserin phenio.json (2E)-N-(2-{[3-(dimethylamino)propyl]sulfanyl}phenyl)-3-phenylprop-2-enamide|cinanserin|cinanserina|cinanserine|cinanserinum http://purl.obolibrary.org/obo/CHEBI_145999 3_STAR
CHEBI:146007 biolink:ChemicalSubstance (M)-viriditoxin A dimethyl 2,2'-(9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3,3',4,4'-tetrahydro-[6,6'-binaphtho[2,3-c]pyran]-3,3'-diyl)diacetate in which the the 3 and 3' positions (bearing the 2-methoxy-2-oxoethyl (CH2CO2Me) groups) both have S configuration, while the 6 and 6' positions (where the binaphthopyran units are linked) have Ra configuration (the M atropisomer). It has been isolated from the fungi Aspergillus viridinutans and the fungus Paecilomyces variotii derived from the inner tissues of the giant jellyfish Nemopilema nomurai. CAS:1381782-08-6|PMID:21413107|PMID:23049144|PMID:25231051|PMID:29037949|PMID:31045362|PMID:31304040 phenio.json (-)-viriditoxin|(M)-viriditoxin|dimethyl 2,2'-[(3S,3'S,6Ra)-9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3,3',4,4'-tetrahydro-1H,1'H-[6,6'-binaphtho[2,3-c]pyran]-3,3'-diyl]diacetate http://purl.obolibrary.org/obo/CHEBI_146007 3_STAR
CHEBI:146008 biolink:ChemicalSubstance semiviriditoxin A naphthopyran that is 3,4-dihydro-naphtho[2,3-c]pyran-1-one which is substituted by a 2-methoxy-2-oxoethyl group at position 3, a methoxy group at position 7, and hydroxy groups at positions 9 and 10 (the 3S enantiomer). It is produced by the fungus Paecilomyces variotii, isolated from the larvae of the mountain pine beetle Dendroctonus ponderosae. The biological precursor of viriditoxin. PMID:31045362 phenio.json methyl [(3S)-9,10-dihydroxy-7-methoxy-1-oxo-3,4-dihydro-1H-naphtho[2,3-c]pyran-3-yl]acetate|semiviriditoxin http://purl.obolibrary.org/obo/CHEBI_146008 3_STAR
CHEBI:146014 biolink:ChemicalSubstance binaphthopyran A biaryl in which both of the coupled aromatic groups consists of a binaphthopyran or a substitutd binaphthopyran. phenio.json binaphthopyrans http://purl.obolibrary.org/obo/CHEBI_146014 3_STAR
CHEBI:146015 biolink:ChemicalSubstance dimethyl 2,2'-(9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3,3',4,4'-tetrahydro-[6,6'-binaphtho[2,3-c]pyran]-3,3'-diyl)diacetate A binaphthopyran resulting from the formal oxidative dimerisation at position 6 of two molecules of methyl (9,10-dihydroxy-7-methoxy-1-oxo-3,4-dihydro-1H-naphtho[2,3-c]pyran-3-yl)acetate. phenio.json dimethyl 2,2'-(9,9',10,10'-tetrahydroxy-7,7'-dimethoxy-1,1'-dioxo-3,3',4,4'-tetrahydro-1H,1'H-[6,6'-binaphtho[2,3-c]pyran]-3,3'-diyl)diacetate http://purl.obolibrary.org/obo/CHEBI_146015 3_STAR
CHEBI:146021 biolink:ChemicalSubstance N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-D-glucosaminide(1-) phenio.json an alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-D-GlcNAc derivative http://purl.obolibrary.org/obo/CHEBI_146021 2_STAR
CHEBI:146136 biolink:ChemicalSubstance 7,3',5'-trimethylmyricetin A trimethoxyflavone that is myricetin in which the hydroxy groups at position 7, 3' and 5' have been replaced by methoxy groups. PMID:21343428 phenio.json 3',5',7-trimethoxy-3,4',5-trihydroxyflavone|3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one|3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-7-methoxy-4H-chromen-4-one|7,3',5'-trimethyl myricetin|myricetin 7,3',5'-trimethyl ether http://purl.obolibrary.org/obo/CHEBI_146136 3_STAR
CHEBI:146144 biolink:ChemicalSubstance L-Fucp-(1->2)-[D-Galp-(1->3)]-D-Galp Any branched trisaccharide consisting of D-galactopyranose having an L-fucosyl residue at the 2-position and a D-galactosyl residue at the 3-position. phenio.json 6-deoxy-L-galactopyranosyl-(1->2)-[D-galactopyranosyl-(1->3)]-D-galactopyranose|L-fucopyranosyl-(1->2)-[D-galactopyranosyl-(1->3)]-D-galactopyranose http://purl.obolibrary.org/obo/CHEBI_146144 3_STAR
CHEBI:146145 biolink:ChemicalSubstance 7,4'-dimethylkaempferol A dimethoxyflavone that is kaempferol in which the hydroxy groups at position 4' and 7 have been replaced by methoxy groups. It is a component of bee glue and has been isolated from several plant species including Betula exilis, Zingiber mekongense and Alpinia flabellata. CAS:15486-33-6|LIPID_MAPS_instance:LMPK12112595|MetaCyc:CPD-14951|PMID:11198817|PMID:12451496|PMID:18384188|PMID:21238547|PMID:21343428|PMID:26594759|PMID:31640181 phenio.json 3,5-dihydroxy-4',7-dimethoxyflavone|3,5-dihydroxy-7,4'-dimethoxyflavone|3,5-dihydroxy-7-methoxy-2-(4-methoxy-phenyl)-chromen-4-one|3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4-benzopyrone|3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one|3,5-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one|4'-O,7-O-dimethylkaempferol|kaempferol 4',7-dimethyl ether|kaempferol 7,4'-dimethyl ether http://purl.obolibrary.org/obo/CHEBI_146145 3_STAR
CHEBI:146162 biolink:ChemicalSubstance palmitoleamide A primary fatty amide resulting from the formal condensation of the carboxy group of (9Z)-hexadecenoic acid with ammonia. CAS:106010-22-4|LIPID_MAPS_instance:LMFA08010010|PMID:11128635|PMID:22095832|PMID:25693860|PMID:25856314|PMID:26044516|PMID:29627605 phenio.json (9Z)-9-hexadecenamide|(9Z)-hexadec-9-enamide|(9Z)-hexadecenamide|(Z)-9-hexadecenamide|(Z)-hexadec-9-enamide http://purl.obolibrary.org/obo/CHEBI_146162 3_STAR
CHEBI:146176 biolink:ChemicalSubstance levomethorphan A 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the stereocenters at positions 4a, 10 and 10a have R-configuration. It is a prodrug of levorphanol and a strong narcotic analgesic, and listed as a schedule II controlled substance. CAS:125-70-2|PMID:16870378|PMID:26226106|PMID:28867701|PMID:29131506|Wikipedia:Levomethorphan phenio.json (-)-3-methoxy-17-methylmorphinan|(-)-3-methoxy-N-methylmorphinan|(4aR,10R,10aR)-6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene|3-methoxy-17-methylmorphinan|L-3-methoxy-17-methylmorphinan|L-methorphan|levomethorphan|levomethorphane|levomethorphanum|levometorfano http://purl.obolibrary.org/obo/CHEBI_146176 3_STAR
CHEBI:146178 biolink:ChemicalSubstance 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene An organic heterotetracyclic compound that is 1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene which is substituted by a methoxy group at position 6 and a methyl group at position 11. phenio.json 4-methoxy-17-methyl-17-azatetracyclo[7.5.3.0(1,10).0(2,7)]heptadeca-2(7),3,5-triene|6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene http://purl.obolibrary.org/obo/CHEBI_146178 3_STAR
CHEBI:146179 biolink:ChemicalSubstance galactotriose Any trisaccharide composed of 3 galactose moieties. phenio.json http://purl.obolibrary.org/obo/CHEBI_146179 3_STAR
CHEBI:146180 biolink:ChemicalSubstance glucotriose Any trisaccharide composed of 3 glucose moieties. phenio.json http://purl.obolibrary.org/obo/CHEBI_146180 3_STAR
CHEBI:146181 biolink:ChemicalSubstance mannotriose Any trisaccharide composed of 3 mannose moieties. phenio.json http://purl.obolibrary.org/obo/CHEBI_146181 3_STAR
CHEBI:146193 biolink:ChemicalSubstance N-glycoloylneuraminic acid KEGG:C03410 phenio.json http://purl.obolibrary.org/obo/CHEBI_146193 2_STAR
CHEBI:146199 biolink:ChemicalSubstance S-(S-glutathionyl)-L-cysteine(1-) residue phenio.json S-(S-glutathionyl)-L-cysteine residue http://purl.obolibrary.org/obo/CHEBI_146199 2_STAR
CHEBI:146212 biolink:ChemicalSubstance ilicicolin Any member of the class of antibiotic polyketides originally isolated from the fungus Cylindrocladium ilicicola, isolated from the dead leaf of beach (Fagus sp.). PMID:5042450|PMID:5167226 phenio.json ilicicolins http://purl.obolibrary.org/obo/CHEBI_146212 3_STAR
CHEBI:146219 biolink:ChemicalSubstance (R)-efonidipine A 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate that has (R)-configuration. It is a selective blocker of T-type Ca(2+) channels. CAS:128194-13-8|PDBeChem:C9X|PMID:15545287|PMID:15599089|PMID:18278483|PMID:18460822|PMID:19567868|PMID:20858482|PMID:21757861|PMID:30981510 phenio.json (-)-(R)-efonidipine|(-)-efonidipine|(R)-(-)-efonidipine|2-[benzyl(phenyl)amino]ethyl (4R)-5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate|2-[benzyl(phenyl)amino]ethyl (4R)-5-(5,5-dimethyl-2-oxo-1,3,2lambda(5)-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate|R(-)-efonidipine http://purl.obolibrary.org/obo/CHEBI_146219 3_STAR
CHEBI:146220 biolink:ChemicalSubstance (S)-efonidipine A 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate that has (S)-configuration. It is a blocker of L- and T-type Ca(2+) channels. CAS:128194-12-7|PMID:15545287|PMID:20858482 phenio.json (+)-(S)-efonidipine|(+)-efonidipine|(S)-(+)-efonidipine|2-[benzyl(phenyl)amino]ethyl (4S)-5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate|S(+)-efonidipine http://purl.obolibrary.org/obo/CHEBI_146220 3_STAR
CHEBI:146221 biolink:ChemicalSubstance 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate A carboxylic ester resulting from the formal condensation of the carboxy group of 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid with the hydroxy group of 2-[benzyl(phenyl)amino]ethanol. phenio.json 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate|2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2lambda(5)-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate http://purl.obolibrary.org/obo/CHEBI_146221 3_STAR
CHEBI:146223 biolink:ChemicalSubstance ryanodine receptor antagonist phenio.json http://purl.obolibrary.org/obo/CHEBI_146223 1_STAR
CHEBI:146234 biolink:ChemicalSubstance N(1)-methyl-N(3)-[(3S)-3-amino-3-carboxypropyl]-pseudouridine 5'-phosphate(1-) residue An organic anionic group obtained by deprotonation of the phosphate and carboxy functions as well as protonation of the amino function of N(1)-methyl-N(3)-[(3S)-3-amino-3-carboxypropyl]-pseudouridine 5'-phosphate residue; major species at 7.3. PMID:27084949 phenio.json N(1)-methyl-N(3)-[(3S)-3-amino-3-carboxypropyl]-pseudouridine residue http://purl.obolibrary.org/obo/CHEBI_146234 2_STAR
CHEBI:146243 biolink:ChemicalSubstance JWH-133 A dibenzopyran that is Delta(9)-tetrahydrocannabinol which is lacking the hydroxy group and in which the pentyl group at position 3 has been replaced by a 1,1-dimethylbutyl group. A potent and highly selective CB2 receptor agonist. CAS:259869-55-1|PMID:12479982|PMID:16111718|PMID:17537989|PMID:17912054|PMID:21771590|PMID:22578958|PMID:23711495|PMID:24007798|PMID:24302957|PMID:24304686|PMID:25749929|PMID:25867462|PMID:26842917|PMID:27194477|PMID:27504865|PMID:27899748|PMID:27994006|PMID:28153531|PMID:28687201|PMID:29128791|PMID:29262578|PMID:29792186|PMID:29886251|PMID:30063884|PMID:30132506|PMID:30267762|PMID:30500552|PMID:30508607|PMID:30554372|PMID:30675824|PMID:30677422|PMID:31446615|PMID:31729056|PMID:31745152|PMID:31758544|PMID:31767546|PMID:31981721|Wikipedia:JWH-133 phenio.json (6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran|(6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene|(6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromene|1,1-dimethylbutyl-1-deoxy-Delta(9)-THC|JW 133|JWH 133|JWH133 http://purl.obolibrary.org/obo/CHEBI_146243 3_STAR
CHEBI:146244 biolink:ChemicalSubstance HU-308 A carbobicyclic compound that is bicyclo[3.1.1]hept-2-ene which is substituted by a hydroxymethyl group at position 2, a 2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl group at position 4, and two methyl groups at position 6 (the 1S,4S,5S stereoisomer). A highly selective and effective cannabinoid type-2 agonist and the enantiomer of HU-433. PMID:10588688|PMID:17652447|PMID:21542549|PMID:26124120|PMID:26846967|PMID:29450258|PMID:30372893|Wikipedia:HU-308 phenio.json (+)-{(1S,4S,5S)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methanol|HU 308|HU308|{(1S,4S,5S)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methanol http://purl.obolibrary.org/obo/CHEBI_146244 3_STAR
CHEBI:146246 biolink:ChemicalSubstance CB2 receptor agonist A cannabinoid receptor agonist that binds to and activates type 2 cannabinoid receptors. Wikipedia:Cannabinoid_receptor_type_2 phenio.json CB2 receptor agonist|CB2 receptor agonists|CB2R agonist|CB2R agonists|cannabinoid receptor 2 agonist|cannabinoid receptor 2 agonists|cannabinoid receptor type 2 agonist|cannabinoid receptor type 2 agonists|type 2 cannabinoid receptor agonist|type 2 cannabinoid receptor agonists http://purl.obolibrary.org/obo/CHEBI_146246 3_STAR
CHEBI:146248 biolink:ChemicalSubstance lysophosphatidylserine O-18:0 phenio.json LPS O-18:0|LPS(O-18:0)|LysoPS O-18:0|LysoPS(O-18:0)|PS O-18:0/0:0|PS(O-18:0/0:0)|lysophosphatidylserine(O-18:0) http://purl.obolibrary.org/obo/CHEBI_146248 2_STAR
CHEBI:146252 biolink:ChemicalSubstance 1-alkyl-sn-glycero-3-phospho-L-serine phenio.json Monoalkylglycerophosphoserine|Monoalkylglycerophosphoserines http://purl.obolibrary.org/obo/CHEBI_146252 2_STAR
CHEBI:146257 biolink:ChemicalSubstance ibogamine(1+) A tertiary ammonium ion resulting from the protonation of the tertiary amino group of ibogamine. It is the major microspecies at pH 7.3. PMID:30030374|Wikipedia:Ibogamine phenio.json (-)-ibogamin-6-ium|ibogamin-6-ium|ibogamine http://purl.obolibrary.org/obo/CHEBI_146257 3_STAR
CHEBI:146258 biolink:ChemicalSubstance noribogaine(1+) A tertiary ammonium ion resulting from the protonation of the tertiary amino group of noribogaine. PMID:30030374 phenio.json noribogaine http://purl.obolibrary.org/obo/CHEBI_146258 3_STAR
CHEBI:146259 biolink:ChemicalSubstance ibogaine(1+) A tertiary ammonium ion resulting from the protonation of the tertiary amino group of ibogaine. MetaCyc:CPD-21566|PMID:30030374|Wikipedia:Ibogaine phenio.json (-)-ibogaine|(6S,18R)-12-methoxyibogamin-6-ium http://purl.obolibrary.org/obo/CHEBI_146259 3_STAR
CHEBI:146260 biolink:ChemicalSubstance spectinomycin(1+) A secondary ammonium ion derived from spectinomycin by protonation of the secondary amino group located between the two alcoholic hydroxy groups. phenio.json spectinomycin http://purl.obolibrary.org/obo/CHEBI_146260 3_STAR
CHEBI:146264 biolink:ChemicalSubstance noribogaine An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a hydroxy group. It is the primary (and long-lived) metabolite of ibogaine, the psychoactive indole alkaloid found in the African rainforest shrub Tabernanthe iboga. CAS:481-88-9|PMID:25995321|PMID:26302653|PMID:26807959|PMID:27020671|PMID:27044509|PMID:27126304|PMID:27870477|PMID:28479267|PMID:28489458|PMID:28681614|PMID:28972153|PMID:29755349|Wikipedia:Noribogaine phenio.json (18R)-ibogamine-12-ol|12-hydroxyibogamine|O-demethylibogaine|O-desmethylibogaine|O-noribogaine|ibogamin-12-ol http://purl.obolibrary.org/obo/CHEBI_146264 3_STAR
CHEBI:146270 biolink:ChemicalSubstance oneirogen Any substance that produces or enhances dream-like states of consciousness. Wikipedia:Oneirogen phenio.json oneirogens http://purl.obolibrary.org/obo/CHEBI_146270 3_STAR
CHEBI:146280 biolink:ChemicalSubstance naphtho-alpha-pyrone Any naphthopyran whose skeleton consists of a naphathalene ring system ortho-fused to an alpha-pyrone. phenio.json http://purl.obolibrary.org/obo/CHEBI_146280 3_STAR
CHEBI:146281 biolink:ChemicalSubstance anthracenone Any member of the class of anthracenes in which the anthracene moiety is substituted by an oxo group. phenio.json anthracenones http://purl.obolibrary.org/obo/CHEBI_146281 3_STAR
CHEBI:146288 biolink:ChemicalSubstance 8-HPETE(1-) PMID:27435673 phenio.json 8-hydroperoxy-(5Z,9E,11Z,14Z)-eicosatetraenoate|8-hydroperoxy-(5Z,9E,11Z,14Z)-icosatetraenoate(1-) http://purl.obolibrary.org/obo/CHEBI_146288 2_STAR
CHEBI:146291 biolink:ChemicalSubstance 11-HPETE(1-) PMID:27435673 phenio.json 11-hydroperoxy-(5Z,8Z,12E,14Z)-eicosatetraenoate|11-hydroperoxy-(5Z,8Z,12E,14Z)-icosatetraenoate(1-) http://purl.obolibrary.org/obo/CHEBI_146291 2_STAR
CHEBI:146293 biolink:ChemicalSubstance 9-HPODE(1-) PMID:27435673 phenio.json 9-hydroperoxy-(10E,12Z)-octadecadienoate|9-hydroperoxy-(10E,12Z)-octadecadienoate(1-) http://purl.obolibrary.org/obo/CHEBI_146293 2_STAR
CHEBI:146295 biolink:ChemicalSubstance pyranobenzodioxin Any organic heterotricyclic compound whose core skeleton consists of a benzodioxin ring that is ortho-fused to a pyran ring. phenio.json pyranobenzodioxins http://purl.obolibrary.org/obo/CHEBI_146295 3_STAR
CHEBI:146296 biolink:ChemicalSubstance N-acetyl-D-leucine The N-acetyl derivative of D-leucine. CAS:19764-30-8|LINCS:LSM-5235|PMID:19518059|PMID:25803613|PMID:26607469|PMID:29509381|PMID:7763986 phenio.json (2R)-2-acetamido-4-methylpentanoic acid|(R)-acetylleucine|D-acetylleucine|N-acetyl-D-Leu|N-acetyl-D-leucine|N-acetyl-R-leucine http://purl.obolibrary.org/obo/CHEBI_146296 3_STAR
CHEBI:146306 biolink:ChemicalSubstance partially-defined glycan A member of the class of carbohydrates and carbohydrate derivatives that is any oligosaccharide or polysaccharide in which the identity of one or more of the individual monosaccharide units, their connectivity (position of attachment) or the stereochemistry (alpha- or beta-) of one or more of the glycosidic linkages is not known. phenio.json partially defined glycan|partially defined glycans|partially-defined glycans http://purl.obolibrary.org/obo/CHEBI_146306 3_STAR
CHEBI:146448 biolink:ChemicalSubstance beta-D-Xylp-(1->6)-D-Glcp A disaccharide consisting of beta-D-xylopyranose and D-glucopyranose joined in sequence by a (1->6) glycosidic bond. GlyGen:G01055WR|GlyTouCan:G01055WR|MetaCyc:6-O-BETA-D-XYLOPYRANOSYL phenio.json 6-O-(beta-D-xylopyranosyl)-D-glucopyranose|6-O-beta-D-xylopyranosyl-D-glucopyranose|WURCS=2.0/2,2,1/[a2122h-1x_1-5][a212h-1b_1-5]/1-2/a6-b1|Xyl(b1-6)Glc|beta-D-xylo-pentopyranosyl-(1->6)-D-gluco-hexopyranose|beta-D-xylopyranosyl-(1->6)-D-glucopyranose|primeverose http://purl.obolibrary.org/obo/CHEBI_146448 3_STAR
CHEBI:14648 biolink:ChemicalSubstance NMN(+) Beilstein:4158043 phenio.json 3-carbamoyl-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium http://purl.obolibrary.org/obo/CHEBI_14648 3_STAR
CHEBI:14649 biolink:ChemicalSubstance NMN(-) Beilstein:5153835 phenio.json 3-carbamoyl-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium|beta-nicotinamide D-ribonucleotide http://purl.obolibrary.org/obo/CHEBI_14649 3_STAR
CHEBI:146500 biolink:ChemicalSubstance D-Galp-(1->3)-D-GalpNAc An amino disaccharide that is 2-acetamido-2-deoxy-D-galactopyranose in which the hydroxy group at position 3 has been converted to the corresponding D-galactopyranoside. The stereochemistry at the anomeric position in each of the galactopyranose rings is not stated. GlyGen:G01416HI|GlyTouCan:G01416HI|KEGG:G10100 phenio.json 2-acetamido-2-deoxy-3-O-D-galactopyranosyl-D-galactopyranose|D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose|Gal(?1-3)GalNAc|N-[(3R,4R,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide|WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1x_1-5]/1-2/a3-b1 http://purl.obolibrary.org/obo/CHEBI_146500 3_STAR
CHEBI:146781 biolink:ChemicalSubstance mature microcin B18 zwitterion The current microcin B17, CHEBI:64624 is a precursor, see fig. 2 PMID:30661981|PMID:8895467 phenio.json MccB17|microcin B17 http://purl.obolibrary.org/obo/CHEBI_146781 2_STAR
CHEBI:146806 biolink:ChemicalSubstance beta-D-Glcp-(1->2)-[beta-D-Glcp-(1->3)]-beta-D-Glcp A glucotriose that is beta-D-glucopyranose in which the hydroxy groups at positions 2 and 3 have each been converted into the corresponding beta-D-glucopyranoside. GlyGen:G05353EZ|GlyTouCan:G05353EZ phenio.json (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-2,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|Glc(b1-2)[Glc(b1-3)]b-Glc|WURCS=2.0/1,3,2/[a2122h-1b_1-5]/1-1-1/a2-b1_a3-c1|beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-gluco-hexopyranosyl-(1->3)]-beta-D-gluco-hexopyranose|beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_146806 3_STAR
CHEBI:1472 biolink:ChemicalSubstance 3-chloro-cis,cis-muconic acid A 3-chloromuconic acid that is cis,cis-muconic acid substituted by a chloro substituent at position 3. CAS:22752-96-1|KEGG:C03585|Reaxys:2082660 phenio.json (2E,4Z)-3-chlorohexa-2,4-dienedioic acid|(E,Z)-3-chloro-2,4-hexadienedioic acid|3-Chloro-cis,cis-muconate http://purl.obolibrary.org/obo/CHEBI_1472 3_STAR
CHEBI:147281 biolink:ChemicalSubstance GS-441524 A C-nucleoside analog that is (2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile substituted by a 4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl group at position 2. It is the active metabolite of remdesivir and exhibits a broad range of inhibitory activity against various RNA viruses including HCV, parainfluenza and SARS-CoV. CAS:1191237-69-0|PMID:22446091|PMID:28124907|PMID:29778200|PMID:30755068 phenio.json (2R,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-carbonitrile|EVO 984|EVO-984|EVO984|GS 441524|GS441524 http://purl.obolibrary.org/obo/CHEBI_147281 3_STAR
CHEBI:147283 biolink:ChemicalSubstance cinanserin(1+) An ammonium ion derivative that is the conjugate acid of cinanserin, obtained by the protonation of the tertiary amino group. It is the major microspecies at pH 7.3. phenio.json N,N-dimethyl-3-[(2-{[(2E)-3-phenylprop-2-enoyl]amino}phenyl)sulfanyl]propan-1-aminium|dimethyl-[3-[2-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropyl]azanium http://purl.obolibrary.org/obo/CHEBI_147283 3_STAR
CHEBI:147285 biolink:ChemicalSubstance EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor An EC 3.4.22.* (cysteine endopeptidase) inhibitor that interferes with the action of SARS coronavirus main proteinase (EC 3.4.22.69). Wikipedia:C30_Endopeptidase phenio.json 3C-like protease inhibitor|3C-like protease inhibitors|3cLpro inhibitor|3cLpro inhibitors|EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitors|EC 3.4.22.69 inhibitor|EC 3.4.22.69 inhibitors|Mpro inhibitor|Mpro inhibitors|SARS 3C-like protease inhibitor|SARS 3C-like protease inhibitors|SARS coronavirus 3CL protease inhibitor|SARS coronavirus 3CL protease inhibitors|SARS coronavirus main peptidase inhibitor|SARS coronavirus main peptidase inhibitors|SARS coronavirus main protease inhibitor|SARS coronavirus main protease inhibitors|SARS coronavirus main proteinase inhibitor|SARS coronavirus main proteinase inhibitors|SARS-CoV 3CLpro enzyme inhibitor|SARS-CoV 3CLpro enzyme inhibitors|SARS-CoV Mpro inhibitor|SARS-CoV Mpro inhibitors|SARS-CoV main protease inhibitor|SARS-CoV main protease inhibitors|coronavirus 3C-like protease inhibitor|coronavirus 3C-like protease inhibitors|severe acute respiratory syndrome coronavirus main protease inhibitor|severe acute respiratory syndrome coronavirus main protease inhibitors http://purl.obolibrary.org/obo/CHEBI_147285 3_STAR
CHEBI:147286 biolink:ChemicalSubstance N(2)-formyl-N(1)-(5-phospho-beta-D-ribosyl)glycinamide(2-) There is a wrong x-ref in CHEBI:61357 to MetaCyc 5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE MetaCyc:5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE phenio.json N(2)-formyl-N(1)-(5-phospho-beta-D-ribosyl)glycinamide http://purl.obolibrary.org/obo/CHEBI_147286 2_STAR
CHEBI:147287 biolink:ChemicalSubstance 2-formamido-N(1)-(5-O-phosphonato-beta-D-ribosyl)acetamidine MetaCyc:5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE phenio.json 2-formamido-N(1)-(5-O-phospho-beta-D-ribosyl)acetamidine http://purl.obolibrary.org/obo/CHEBI_147287 2_STAR
CHEBI:147288 biolink:ChemicalSubstance omega-hydroxy-ultra-long-chain fatty acid anion Any omega-hydroxy-fatty acid anion which has a chain length greater than C27. phenio.json an omega-hydroxy-ultra-long-chain fatty acid|omega-hydroxy ultra-long-chain fatty acid anion|omega-hydroxy ultra-long-chain fatty acid anions|omega-hydroxy-ultra-long-chain fatty acid anions|omega-hydroxy-ultra-long-chain fatty acid(1-) http://purl.obolibrary.org/obo/CHEBI_147288 3_STAR
CHEBI:147289 biolink:ChemicalSubstance EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor Any EC 3.4.17.* (metallocarboxypeptidase) inhibitor that inhibits the action of angiotensin-converting enzyme 2 (EC 3.4.17.23). Wikipedia:Angiotensin-converting_enzyme_2 phenio.json ACE-2 inhibitor|ACE-2 inhibitors|ACE2 inhibitor|ACE2 inhibitors|EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitor|EC 3.4.17.23 (angiotensin-converting enzyme 2) inhibitors|EC 3.4.17.23 inhibitor|EC 3.4.17.23 inhibitors|angiotensin converting enzyme 2 inhibitor|angiotensin converting enzyme 2 inhibitors|angiotensin converting enzyme-2 inhibitor|angiotensin converting enzyme-2 inhibitors|angiotensin-converting enzyme 2 inhibitor|angiotensin-converting enzyme 2 inhibitors|hACE2 inhibitor|hACE2 inhibitors http://purl.obolibrary.org/obo/CHEBI_147289 3_STAR
CHEBI:147290 biolink:ChemicalSubstance EC 3.4.17* (metallocarboxypeptidase) inhibitor Any EC 3.4.* (hydrolases acting on peptide bond) inhibitor that inhibits the action of a metallocarboxypeptidase (EC 3.4.17.*). phenio.json EC 3.4.17* (metallocarboxypeptidase) inhibitor|EC 3.4.17* (metallocarboxypeptidase) inhibitors|EC 3.4.17.* inhibitor|EC 3.4.17.* inhibitors|metallocarboxypeptidase inhibitor|metallocarboxypeptidase inhibitors http://purl.obolibrary.org/obo/CHEBI_147290 3_STAR
CHEBI:147297 biolink:ChemicalSubstance omega-hydroxy-ultra-long-chain fatty acid Any omega-hydroxy-fatty acid which has a chain length greater than C27. PMID:24078707 phenio.json omega-hydroxy-ultra-long-chain fatty acids|ultra-long-chain omega-hydroxy-fatty acid|ultra-long-chain omega-hydroxy-fatty acids|ultra-long-chain-omega-hydroxy-fatty acid|ultra-long-chain-omega-hydroxy-fatty acids http://purl.obolibrary.org/obo/CHEBI_147297 3_STAR
CHEBI:147330 biolink:ChemicalSubstance biphenyl-2,2',3,3'-tetraol A biphenyl that has four hydroxy groups attached to the benzenoid ring system (position 2,2',3 and 3'); majos species at pH 7.3 MetaCyc:CPD-14164|PMID:8449871 phenio.json 2,2',3,3'-tetrahydroxybiphenyl|biphenyl-2,2',3,3'-tetraol http://purl.obolibrary.org/obo/CHEBI_147330 2_STAR
CHEBI:147331 biolink:ChemicalSubstance 2-propylphenol A member of the class of phenols that is phenol which is substituted by a propyl group at position 2. AGR:IND44277107|CAS:644-35-9|FooDB:FDB010568|HMDB:HMDB0032624|MetaCyc:CPD-14147|PDBeChem:JZ4|PMID:19705287|PMID:19782087|PMID:23630291|PMID:8481010|Reaxys:1363932 phenio.json 1-(2-hydroxyphenyl)propane|1-hydroxy-2-n-propylbenzene|1-hydroxy-2-propylbenzene|2-n-propylphenol|2-propylphenol|o-propylphenol http://purl.obolibrary.org/obo/CHEBI_147331 3_STAR
CHEBI:147332 biolink:ChemicalSubstance 3-propylcatechol A member of the class of catechols that is catechol which is substituted by a propyl group at position 3. It is a chemical component in tobacco. CAS:2896-63-1|MetaCyc:CPD0-2477|PMID:543699|PMID:8481010|PMID:8752345 phenio.json 3-n-propylcatechol|3-propyl-1,2-benzenediol|3-propylbenzene-1,2-diol|3-propylcatechol|3-propylpyrocatechol http://purl.obolibrary.org/obo/CHEBI_147332 3_STAR
CHEBI:147334 biolink:ChemicalSubstance 1-phosphatidyl-1D-myo-inositol anion derivative A phosphatidylinositol anion where the inositol is either not phosphorylated or phosphorylated at position 4 and/or position 5; major species at pH 7.3. phenio.json 1,2-diacyl-sn-glycero-3-phospho-1D-myo-inositol anion derivative|a 1,2-diacyl-sn-glycero-3-phospho-1D-myo-inositol derivative http://purl.obolibrary.org/obo/CHEBI_147334 2_STAR
CHEBI:147335 biolink:ChemicalSubstance 1-phosphatidyl-1D-myo-inositol-3-phosphate anion derivative A phosphatidylinositol anion where the inositol is phosphorylated at position 3 and either phosphorylated or not at position 4 and/or position 5; major species at pH 7.3. phenio.json 1,2-diacyl-sn-glycero-3-phospho-1D-myo-inositol-3-phosphate anion derivative|a 1,2-diacyl-sn-glycero-3-phospho-1D-myo-inositol-3-phosphate derivative http://purl.obolibrary.org/obo/CHEBI_147335 2_STAR
CHEBI:147340 biolink:ChemicalSubstance (2R)-2-hydroperoxy fatty acid anion A hydroperoxy fatty acid anion resulting from the deprotonation of the carboxy group of any (2R)-hydroperoxy fatty acid. MetaCyc:2R-HYDROPEROXY-FATTY-ACIDS phenio.json a (2R)-2-hydroperoxy fatty acid http://purl.obolibrary.org/obo/CHEBI_147340 3_STAR
CHEBI:147341 biolink:ChemicalSubstance fumigermin A member of the class of nectriapyrones that is 2H-pyran-2-one which is substituted at positions 3, 4, 5 and 6 by methyl, hydroxy, methyl and but-2-en-2-yl groups, respectively. It is a secondary metabolite produced by Aspergillus fumigatus and inhibits germination of spores of the inducing Streptomyces rapamycinicus. PMID:32083553 phenio.json 6-[(2E)-but-2-en-2-yl]-4-hydroxy-3,5-dimethyl-2H-pyran-2-one|fumigermin http://purl.obolibrary.org/obo/CHEBI_147341 3_STAR
CHEBI:147343 biolink:ChemicalSubstance 2-hydroperoxy fatty acid Any hydroperoxy fatty acid in which the hydroperoxy group is located on the carbon at position 2. phenio.json 2-hydroperoxy fatty acids http://purl.obolibrary.org/obo/CHEBI_147343 3_STAR
CHEBI:147344 biolink:ChemicalSubstance (2R)-hydroperoxy fatty acid Any 2-hydroperoxy fatty acid which has R configuration at the carbon bearing the hydroperoxy group. phenio.json http://purl.obolibrary.org/obo/CHEBI_147344 3_STAR
CHEBI:147345 biolink:ChemicalSubstance (2S)-hydroperoxy fatty acid Any 2-hydroperoxy fatty acid which has S configuration at the carbon bearing the hydroperoxy group. phenio.json http://purl.obolibrary.org/obo/CHEBI_147345 3_STAR
CHEBI:147347 biolink:ChemicalSubstance tilorone A member of the class of fluoren-9-ones that is 9H-fluoren-9-one which is substituted by a 2-(diethylamino)ethoxy group at positions 2 and 7. It is an interferon inducer and a selective alpha7 nicotinic acetylcholine receptor (alpha7 nAChR) agonist. Its hydrochloride salt is used as an antiviral drug. CAS:27591-97-5|DrugBank:DB17965|HMDB:HMDB0259096|LINCS:LSM-20974|PMID:17571857|PMID:18157163|PMID:22281189|PMID:23665799|PMID:29133569|PMID:29655797|PMID:30463695|PMID:30537230|PMID:30880776|PMID:32205350|PMID:32215760|PMID:33400519|PMID:33804032|PMID:34705177|PMID:35056541|PMID:37012691|PMID:37033868|Wikipedia:Tilorone phenio.json 2,7-bis[2-(diethylamino)ethoxy]-9-fluorenone|2,7-bis[2-(diethylamino)ethoxy]-9H-fluoren-9-one|tilorona|tilorone|tiloronum http://purl.obolibrary.org/obo/CHEBI_147347 3_STAR
CHEBI:147355 biolink:ChemicalSubstance tilorone(2+) An ammonium ion derivative resulting from the protonation of the two tertiary amino groups of tilorone. phenio.json 2,2'-[(9-oxo-9H-fluorene-2,7-diyl)bis(oxy)]bis(N,N-diethylethanaminium)|N,N'-[(9-oxo-9H-fluorene-2,7-diyl)bis(oxyethane-2,1-diyl)]bis(N-ethylethan-1-aminium) http://purl.obolibrary.org/obo/CHEBI_147355 3_STAR
CHEBI:147362 biolink:ChemicalSubstance neurotensin(1+) A peptide cation obtained from the deprotonation of the carboxy groups of L-alpha-glutamyl and L-leucine residues, and protonation of the side chains of L-lysyl and L-arginyl residues of neurotensin. It is the major species at pH 7.3. PMID:31614422|PMID:32057800|PMID:32275927 phenio.json 5-oxo-L-prolyl-L-leucyl-L-tyrosyl-5-oxidanidyl-5-oxidanylidene-L-norvalyl-L-asparaginyl-6-azaniumyl-L-norleucyl-L-prolyl-N(5)-[amino(iminio)methyl]-L-ornithyl-N(5)-[amino(iminio)methyl]-L-ornithyl-L-prolyl-L-tyrosyl-N-[(1S)-1-carboxylato-3-methylbutyl]-L-isoleucinamide|L-Pyr-L-Leu-L-Tyr-L-Glu-L-Asn-L-Lys-L-Pro-L-Arg-L-Arg-L-Pro-L-Tyr-L-Ile-L-Leu(1+)|L-pyroglutamyl-L-leucyl-L-tyrosyl-L-alpha-glutamyl-L-asparagyl-L-lysyl-L-prolyl-L-arginyl-L-arginyl-L-prolyl-L-tyrosyl-L-isoleucyl-L-leucine(1+)|Pyr-Leu-Tyr-Glu-Asn-Lys-Pro-Arg-Arg-Pro-Tyr-Ile-Leu(1+)|neurotensin http://purl.obolibrary.org/obo/CHEBI_147362 3_STAR
CHEBI:147369 biolink:ChemicalSubstance glucotetraose Any tetrasaccharide composed of 4 glucose moieties. phenio.json glucotetrose http://purl.obolibrary.org/obo/CHEBI_147369 3_STAR
CHEBI:14737 biolink:ChemicalSubstance pantoic acid CAS:470-29-1|KEGG:C00522 phenio.json 2,4-dihydroxy-3,3-dimethylbutanoic acid|Pantoate|Pantoic acid http://purl.obolibrary.org/obo/CHEBI_14737 3_STAR
CHEBI:147380 biolink:ChemicalSubstance ecdysone 22-phosphate(2-) MetaCyc:CPD-15594|PMID:12721294 phenio.json ecdysone 22-phosphate http://purl.obolibrary.org/obo/CHEBI_147380 2_STAR
CHEBI:147392 biolink:ChemicalSubstance His-Leu zwitterion A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of His-Leu. Major species at pH 7.3. phenio.json (2S)-2-{[(2S)-2-azaniumyl-3-(1H-imidazol-4-yl)propanoyl]amino}-4-methylpentanoate|H-L zwitterion|L-His-L-Leu zwitterion|L-histidyl-L-leucine|histidylleucine zwitterion http://purl.obolibrary.org/obo/CHEBI_147392 3_STAR
CHEBI:147395 biolink:ChemicalSubstance apelin-13(3+) A peptide cation obtained from the protonation of the N-terminus amino group and L-arginyl side chains, and deprotonation of the C-terminus carboxy group of apelin-13. It is the major species at pH 7.3. PMID:11815627 phenio.json Gln-Arg-Pro-Arg-Leu-Ser-His-Lys-Gly-Pro-Met-Pro-Phe(3+)|L-Gln-L-Arg-L-Pro-L-Arg-L-Leu-L-Ser-L-His-L-Lys-L-Gly-L-Pro-L-Met-L-Pro-L-Phe(3+)|L-glutaminyl-L-arginyl-L-prolyl-L-arginyl-L-leucyl-L-seryl-L-histidyl-L-lysylglycyl-L-prolyl-L-methionyl-L-prolyl-L-phenylalanine(3+)|N(2)-[(2S)-5-amino-2-azaniumyl-5-oxopentanoyl]-N(5)-[amino(iminio)methyl]-L-ornithyl-L-prolyl-N(5)-[amino(iminio)methyl]-L-ornithyl-L-leucyl-L-seryl-L-histidyl-6-azaniumyl-L-norleucylglycyl-L-prolyl-L-methionyl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-prolinamide|apelin-13|apelin-13 peptide(3+) http://purl.obolibrary.org/obo/CHEBI_147395 3_STAR
CHEBI:147398 biolink:ChemicalSubstance tideglusib A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta) and has neuroprotective effects. Currently under clinical investigation for the treatment of Alzheimer's disease and progressive supranuclear palsy. CAS:865854-05-3|DrugBank:DB12129|PMID:17522320|PMID:22936007|PMID:24488721|PMID:24532007|PMID:25537011|PMID:26289787|PMID:26398371|PMID:27378458|PMID:27490211|PMID:28982059|PMID:29388174|PMID:29431064|PMID:29603837|PMID:30574063|PMID:30666199|PMID:30965670|PMID:31156177|PMID:32195836|Wikipedia:Tideglusib phenio.json 4-benzyl-2-(naphthalen-1-yl)-1,2,4-thiadiazolidine-3,5-dione|NP 031112|NP-031112|NP-12|NP031112|Nypta|Zentylor|tideglusib|tideglusibum http://purl.obolibrary.org/obo/CHEBI_147398 3_STAR
CHEBI:147411 biolink:ChemicalSubstance TDZD-8 A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a methyl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta). An experimental compound which was being developed for the potential treatment of Alzheimer's disease. CAS:327036-89-5|PMID:11881998|PMID:17785584|PMID:18323734|PMID:21079728|PMID:21966423|PMID:25394244|PMID:25453207|PMID:25735991|PMID:28256059|PMID:28624830|PMID:28962480|PMID:28965119|PMID:30392874|PMID:31399185|PMID:32141492|PMID:32181909|PMID:32188325|Patent:NZ574619 phenio.json 4-benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione|NP 01139|thiadiazolidinone-8 http://purl.obolibrary.org/obo/CHEBI_147411 3_STAR
CHEBI:14750 biolink:ChemicalSubstance acetylacetone A beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. CAS:123-54-6|Gmelin:2537|HMDB:HMDB0031648|KEGG:C15499|MetaCyc:CPD-8879|PMID:24445259|Reaxys:741937|Wikipedia:Acetylacetone phenio.json 2,4-Dioxopentane|2,4-dioxopentane|2,4-pentadione|2,4-pentanedione|ACAC|Acetylacetone|CH3-CO-CH2-CO-CH3|Hacac|acetoacetone|acetyl 2-propanone|acetylacetone|pentan-2,4-dione|pentane-2,4-dione http://purl.obolibrary.org/obo/CHEBI_14750 3_STAR
CHEBI:147675 biolink:ChemicalSubstance 5-iodo-2'-deoxyuridine A pyrimidine 2'-deoxyribonucleoside compound having 5-iodouracil as the nucleobase; used as an antiviral agent. CAS:54-42-2|DrugBank:DB03778|Drug_Central:1417|LINCS:LSM-5836|PMID:17341060|PMID:17438061|PMID:18555978|PMID:3950402|Reaxys:30397 phenio.json (+)-5-Iodo-2'-deoxyuridine|1-(2-Deoxy-beta-D-ribofuranosyl)-5-iodouracil|1-beta-D-2'-Deoxyribofuranosyl-5-iodouracil|1beta-D-2'-Deoxyribofuranosyl-5-iodouracil|2'-Deoxy-5-iodouridine|2'-deoxy-5-iodouridine|5-Iododeoxyuridine|5-Iodouracil deoxyriboside|IdU|Idoxuridin|Idoxuridinum|Iododeoxyridine|Iodoxuridine|Joddeoxiuridin|idoxuridina|idoxuridine http://purl.obolibrary.org/obo/CHEBI_147675 3_STAR
CHEBI:148869 biolink:ChemicalSubstance alpha-D-galactosamine A 2-amino-2-deoxy-D-galactopyranose that has alpha- configuration at the anomeric centre. CAS:14196-84-0|GlyTouCan:G24361QY|PDBeChem:X6X phenio.json 2-amino-2-deoxy-alpha-D-galacto-hexopyranose|2-amino-2-deoxy-alpha-D-galactopyranose|WURCS=2.0/1,1,0/[a2112h-1a_1-5_2*N]/1/|a-GalN http://purl.obolibrary.org/obo/CHEBI_148869 3_STAR
CHEBI:149071 biolink:ChemicalSubstance beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->3)-alpha-D-Galp An amino trisaccharide consisting of beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose and alpha-D-galactopyranose residues joined in sequence by (1->3) glycosidic linkages. GlyGen:G25129BT|GlyTouCan:G25129BT phenio.json Gal(b1-3)GalNAc(b1-3)a-Gal|N-[(2S,3R,4R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide|WURCS=2.0/3,3,2/[a2112h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a3-b1_b3-c1|beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranose|beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranose http://purl.obolibrary.org/obo/CHEBI_149071 3_STAR
CHEBI:14919 biolink:ChemicalSubstance N(6)-lipoyl-L-lysine residue phenio.json http://purl.obolibrary.org/obo/CHEBI_14919 3_STAR
CHEBI:149226 biolink:ChemicalSubstance fenoterol A member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction. CAS:13392-18-2|DrugBank:DB01288|Drug_Central:1155|HMDB:HMDB0015405|KEGG:D04157|LINCS:LSM-1948|PMID:17506540|PMID:17845020|PMID:19890360|Patent:BE640433|Patent:US3341593|Reaxys:2157041|Wikipedia:Fenoterol phenio.json 1-(3,5-dihydroxyphenyl)-1-hydroxy-2-((4-hydroxyphenyl)isopropylamino)ethane|1-(p-hydroxyphenyl)-2-((beta-hydroxy-beta-(3',5'-dihydroxyphenyl))ethyl)aminopropane|3,5-dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)benzyl alcohol|5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diol|5-{1-Hydroxy-2-[2-(4-hydroxy-phenyl)-1-methyl-ethylamino]-ethyl}-benzene-1,3-diol|fenoterol|fenoterolum|phenoterol http://purl.obolibrary.org/obo/CHEBI_149226 3_STAR
CHEBI:149304 biolink:ChemicalSubstance L-galactofuranose The furanose form of L-galactose. GlyTouCan:G32871SU phenio.json (3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol|L-Galf|L-galacto-hexofuranose|WURCS=2.0/1,1,0/[a1221h-1x_1-4]/1/ http://purl.obolibrary.org/obo/CHEBI_149304 3_STAR
CHEBI:149429 biolink:ChemicalSubstance xylotriose phenio.json http://purl.obolibrary.org/obo/CHEBI_149429 1_STAR
CHEBI:149433 biolink:ChemicalSubstance mannotetraose Any tetrasaccharide composed of 4 mannose moieties. phenio.json http://purl.obolibrary.org/obo/CHEBI_149433 3_STAR
CHEBI:149465 biolink:ChemicalSubstance glucopentaose Any pentasaccharide composed of 5 glucose moieties. phenio.json http://purl.obolibrary.org/obo/CHEBI_149465 3_STAR
CHEBI:149468 biolink:ChemicalSubstance (8S)-8-amino-7-oxononanoic acid zwitterion MetaCyc:8-AMINO-7-OXONONANOATE phenio.json (8S)-8-amino-7-oxononanoate http://purl.obolibrary.org/obo/CHEBI_149468 2_STAR
CHEBI:149469 biolink:ChemicalSubstance (7R,8S)-7,8-diammoniononanoate MetaCyc:DIAMINONONANOATE phenio.json (7R,8S)-7,8-diammoniononanoate http://purl.obolibrary.org/obo/CHEBI_149469 2_STAR
CHEBI:149471 biolink:ChemicalSubstance pethidine(1+) An ammonium ion derivative that is the conjugate acid of pethidine, obtained from the protonation of the piperidine moiety. It is the major microspecies at pH 7.3. phenio.json 4-(ethoxycarbonyl)-1-methyl-4-phenylpiperidin-1-ium|4-(ethoxycarbonyl)-1-methyl-4-phenylpiperidinium http://purl.obolibrary.org/obo/CHEBI_149471 3_STAR
CHEBI:149473 biolink:ChemicalSubstance (4R,5S)-dethiobiotin(1-) A monocarboxylic acid anion that is the conjugate base of (4R,5S)-dethiobiotin, arising from the deprotonation of the carboxy group. Major species at pH 7.3. MetaCyc:DETHIOBIOTIN phenio.json (4R,5S)-dethiobiotin|6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoate http://purl.obolibrary.org/obo/CHEBI_149473 3_STAR
CHEBI:149484 biolink:ChemicalSubstance chloroquine(2+) A quinolinium ion obtained by protonation of the quinoline nitrogen and tertiary amino group of the antimalarial drug chloroquine. It is the major species at pH 7.3. PMID:25693996 phenio.json 7-chloro-4-{[5-(diethylazaniumyl)pentan-2-yl]amino}quinolinium|chloroquine dication|di-protonated chloroquine http://purl.obolibrary.org/obo/CHEBI_149484 3_STAR
CHEBI:149489 biolink:ChemicalSubstance 5,5-dimethyl-1-pyrroline N-oxide A member of the class of 1-pyrroline nitrones (1-pyrroline N-oxides) resulting from the formal N-oxidation of 5,5-dimethyl-1-pyrroline. Used as a spin trap for the study of radicals formed by enzymatic acetaldehyde oxidation. CAS:3317-61-1|PMID:15704951|PMID:16833945|PMID:16833946|PMID:17149843|PMID:17214476|PMID:17297236|PMID:18303874|PMID:19012384|PMID:19425559|PMID:19968309|PMID:22285597|PMID:22668066|PMID:22975516|PMID:23053730|PMID:27132196|PMID:28582898|PMID:29589052|PMID:30509064|PMID:30684639|PMID:31422198|PMID:31843137 phenio.json 2,2-dimethyl-3,4-dihydro-2H-pyrrole 1-oxide|5,5-dimethyl-1-pyrroline N-oxide|5,5-dimethyl-1-pyrroline nitrone|5,5-dimethyl-1-pyrroline-1-oxide|5,5-dimethylpyrroline-N-oxide|DMPO http://purl.obolibrary.org/obo/CHEBI_149489 3_STAR
CHEBI:14949 biolink:ChemicalSubstance N(6)-(S(8)-aminomethyldihydrolipoyl)-L-lysine residue phenio.json http://purl.obolibrary.org/obo/CHEBI_14949 3_STAR
CHEBI:149491 biolink:ChemicalSubstance 1-pyrroline nitrones Any nitrone resulting from the oxidation of the ring nitrogen of 1-pyrroline or its substituted derivatives. phenio.json 1-pyrroline N-oxides http://purl.obolibrary.org/obo/CHEBI_149491 3_STAR
CHEBI:149492 biolink:ChemicalSubstance 5,5-dimethyl-1-pyrroline A member of the class of pyrrolines that is 1-pyrroline in which the two hydrogens at position 5 are replaced by methyl groups. CAS:2045-76-3|Chemspider:9117576|PMID:7960991|PMID:9028868|PMID:9720310 phenio.json 2,2-dimethyl-3,4-dihydro-2H-pyrrole http://purl.obolibrary.org/obo/CHEBI_149492 3_STAR
CHEBI:149497 biolink:ChemicalSubstance spin trapping reagent A reagent used in electron paramagnetic resonance (EPR) spectroscopy to react covalently with radical products whose half-life is be too short to detect. The resulting adducts are more stable enabling their paramagnetic resonance spectra to be obtained. Wikipedia:Spin_trapping phenio.json spin trap|spin trapping reagents|spin traps http://purl.obolibrary.org/obo/CHEBI_149497 3_STAR
CHEBI:149498 biolink:ChemicalSubstance (7Z,10Z,13Z,16Z)-docosatetraenoyl derivative An entity derived from (7Z,10Z,13Z,16Z)-docosatetraenoic acid where the R is not defined. PMID:12911321 phenio.json a (7Z,10Z,13Z,16Z)-docosatetraenoyl derivative|adrenoyl derivative http://purl.obolibrary.org/obo/CHEBI_149498 2_STAR
CHEBI:149499 biolink:ChemicalSubstance (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl derivative An entity derived from (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid where the R is not defined. PMID:12911321 phenio.json DPA derivative|a (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl derivative http://purl.obolibrary.org/obo/CHEBI_149499 2_STAR
CHEBI:149500 biolink:ChemicalSubstance (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl derivative An entity derived from (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acid where the R is not defined. PMID:12911321 phenio.json DHA derivative|a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl derivative http://purl.obolibrary.org/obo/CHEBI_149500 2_STAR
CHEBI:149502 biolink:ChemicalSubstance (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl derivative An entity derived from (4Z,7Z,10Z,13Z,16Z)-docosapentaenoic acid where the R is not defined. PMID:11397798 phenio.json 22:5(4Z,7Z,10Z,13Z,16Z) derivative|a (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl derivative http://purl.obolibrary.org/obo/CHEBI_149502 2_STAR
CHEBI:149504 biolink:ChemicalSubstance losartan(1-) An organic anion that is the conjugate base of losartan, obtained from the deprotonation of the tetrazole NH group. Major species at pH 7.3. PMID:18674515 phenio.json 5-(4'-{[2-butyl-4-chloro-5-(hydroxymethyl)-1H-imidazol-1-yl]methyl}[biphenyl]-2-yl)tetrazol-1-ide|losartan http://purl.obolibrary.org/obo/CHEBI_149504 3_STAR
CHEBI:149509 biolink:ChemicalSubstance candesartan(2-) A monocarboxylic acid anion resulting from the deprotonation of the tetrazole NH group and carboxy group of candesartan. It is the major species at pH 7.3. PMID:18674515 phenio.json 2-ethoxy-1-{[2'-(tetrazol-1-id-5-yl)[biphenyl]-4-yl]methyl}-1H-benzimidazole-7-carboxylate|candesartan http://purl.obolibrary.org/obo/CHEBI_149509 3_STAR
CHEBI:149520 biolink:ChemicalSubstance polyhexamethylene biguanide A homopolymer macromolecule composed of repeating N-hexyltriimidodicarbonic diamide units. It is used as a disinfectant, antiseptic, and antifungal agent. Also commonly used as a swimming pool and spa water sanitizer. CAS:28757-47-3|DrugBank:DB12277|PMID:24421812|PMID:27608742|PMID:29164688|PMID:29305328|PMID:29885293|PMID:29939885|PMID:30188388|PMID:30879081|PMID:31130579|PMID:31179775|PMID:31306828|PMID:31624671|PMID:31694998|PMID:31724982|PMID:31956437|PMID:32183411|PMID:32195752|PMID:32304258|PMID:6789045|Wikipedia:Polyhexanide phenio.json Baquacil|NB 325|NB-325|PHMB|polihexanida|polihexanide|polihexanidum|poly(carbamimidoylcarbamimidamidohexane-1,6-diyl)|poly(hexamethylenebiguanide)|poly(iminocarbonimidoyliminocarbonimidoylimino-1,6-hexanediyl)|poly(iminoimidocarbonyl-iminoimidocarbonyl-iminohexamethylene)|polyhexamethylene guanide http://purl.obolibrary.org/obo/CHEBI_149520 3_STAR
CHEBI:149532 biolink:ChemicalSubstance laccaic acid D(1-) A monocarboxylic acid that is the conjugate base of laccaic acid D, obtained from the deprotonation of the carboxy group. Major species at pH 7.3. PMID:29215010 phenio.json 3,6,8-trihydroxy-1-methyl-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate|flavokermesate|flavokermesic acid(1-)|laccaic acid D(1-) http://purl.obolibrary.org/obo/CHEBI_149532 3_STAR
CHEBI:149538 biolink:ChemicalSubstance polyhexamethylene biguanide(2+) A guanidinium ion resulting from the protonation of the two imine nitrogens of polyhexamethylene biguanide. It is the major species at pH 7.3 phenio.json polihexanide(2+)|poly[imino(iminiomethanediyl)imino(iminiomethanediyl)iminohexane-1,6-diyl] http://purl.obolibrary.org/obo/CHEBI_149538 3_STAR
CHEBI:149548 biolink:ChemicalSubstance emetine(2+) An ammonium ion derivative obtained from protonation of the nitrogens of emetine. It is the major species at pH 7.3. MetaCyc:CPD-14817|PMID:5985282 phenio.json (2S)-6',7',10,11-tetramethoxyemetan-2',5-diium|emetine|emetine dication http://purl.obolibrary.org/obo/CHEBI_149548 3_STAR
CHEBI:149552 biolink:ChemicalSubstance emetic Any agent that induces nausea and vomiting. phenio.json emetics http://purl.obolibrary.org/obo/CHEBI_149552 3_STAR
CHEBI:149553 biolink:ChemicalSubstance anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. Wikipedia:Coronavirus phenio.json anti-coronaviral agent|anti-coronaviral agents|anti-coronavirus agent|anti-coronavirus agents|anticoronaviral agent|anticoronaviral agents|anticoronaviral drug|anticoronaviral drugs|anticoronavirus agent|anticoronavirus agents|anticoronviral agent|anticoronviral agents http://purl.obolibrary.org/obo/CHEBI_149553 3_STAR
CHEBI:149554 biolink:ChemicalSubstance C-terminal alpha-amino-acyl-L-glutamyl-L-glutamyl-L-tyrosinate(3-) residue This compound is related to CHEBI:141769, but I am unsure how to express it in the ontology. MetaCyc:Tyrosinated-Tubulins|PMID:24022482 phenio.json C-terminal alpha-amino-acyl-L-glutamyl-L-glutamyl-L-tyrosinate residue http://purl.obolibrary.org/obo/CHEBI_149554 2_STAR
CHEBI:149555 biolink:ChemicalSubstance C-terminal alpha-amino-acyl-L-glutamyl-L-glutamate(2-) residue This compound is related to CHEBI:141769, but I am unsure how to express it in the ontology. MetaCyc:Tubulins phenio.json C-terminal alpha-amino-acyl-L-glutamyl-L-glutamate residue http://purl.obolibrary.org/obo/CHEBI_149555 2_STAR
CHEBI:149564 biolink:ChemicalSubstance hydroxychloroquine(2+) A quinolinium ion obtained by protonation of the quinoline nitrogen and tertiary amino group of the antimalarial drug hydroxychloroquine. It is the major species at pH 7.3. PMID:25693996 phenio.json 7-chloro-4-({5-[ethyl(2-hydroxyethyl)azaniumyl]pentan-2-yl}amino)quinolinium|hydroxychloroquine dication http://purl.obolibrary.org/obo/CHEBI_149564 3_STAR
CHEBI:149565 biolink:ChemicalSubstance xylazine(1+) An organic cation that is the conjugate acid of xylazine, obtained by the protonation of the thiazine nitrogen. phenio.json 2-(2,6-dimethylanilino)-5,6-dihydro-4H-1,3-thiazin-3-ium http://purl.obolibrary.org/obo/CHEBI_149565 3_STAR
CHEBI:149591 biolink:ChemicalSubstance (dihydroxyphenyl)propanoic acid A monocarboxylic acid that is propionic acid carrying a dihydroxyphenyl substituent at position 3. phenio.json (dihydroxyphenyl)propanoic acids http://purl.obolibrary.org/obo/CHEBI_149591 3_STAR
CHEBI:149634 biolink:ChemicalSubstance dehydroemetine A pyridoisoquinoline which was developed in response to the cardiovascular toxicity associated with emetine and results from the dehydrogenation of the heterotricylic ring of emetine. It is an antiprotozoal agent and displays antimalarial, antiamoebic, and antileishmanial properties. CAS:4914-30-1|DrugBank:DB13865|Drug_Central:3129|KEGG:C07996|KEGG:D00828|PMID:13749080|PMID:13990811|PMID:13991475|PMID:14040651|PMID:14292163|PMID:14482399|PMID:16732|PMID:19879|PMID:2202709|PMID:2565955|PMID:2887439|PMID:31964796|PMID:4113710|PMID:4394757|PMID:4401314|PMID:4716643|PMID:4916834|PMID:6041197|Wikipedia:Dehydroemetine phenio.json (-)-2,3-dehydroemetine|(-)-R,S-dehydroemetine|2,3-didehydro-6',7',10,11-tetramethoxyemetan|2,3-didehydroemetine|2-dehydroemetine|6',7',10,11-tetramethoxy-2,3-didehydroemetan|BT 436|Dametin|Mebadin|Mebadine|Ro 1-9334|Ro 1-9334/19|Ro-1-9334/19|Ro-1933419|dehidroemetina|dehydroemetine|dehydroemetinum http://purl.obolibrary.org/obo/CHEBI_149634 3_STAR
CHEBI:149673 biolink:ChemicalSubstance (1S,2R)-ephedrine(1+) An organic cation obtained by protonation of the secondary amino function of (1S,2R)-ephedrine; major species at pH 7.3. MetaCyc:CPD-22730 phenio.json (+)-ephedrinium|(1S,2R)-1-hydroxy-N-methyl-1-phenylpropan-2-aminium|(1S,2R)-ephedrine|(1S,2R)-ephedrinium http://purl.obolibrary.org/obo/CHEBI_149673 2_STAR
CHEBI:149674 biolink:ChemicalSubstance (1R,2R)-pseudoephedrine(1+) An organic cation obtained by protonation of the secondary amino function of (1R,2R)-pseudoephedrine; major species at pH 7.3. MetaCyc:CPD-22732 phenio.json (1R,2R)-pseudoephedrine http://purl.obolibrary.org/obo/CHEBI_149674 2_STAR
CHEBI:149682 biolink:ChemicalSubstance O-diphosphonato-L-serine(3-) residue PMID:19934039|PMID:27789744|PMID:31668836 phenio.json O-diphospho-L-serine residue http://purl.obolibrary.org/obo/CHEBI_149682 2_STAR
CHEBI:149689 biolink:ChemicalSubstance D-dopa zwitterion An amino acid zwitterion obtained from the transfer of a proton from the carboxy group to the amino group of D-dopa. Major microspecies at pH 7.3. PMID:17303072 phenio.json (2R)-2-ammonio-3-(3,4-dihydroxyphenyl)propanoate|(2R)-2-azaniumyl-3-(3,4-dihydroxyphenyl)propanoate|D-dopa http://purl.obolibrary.org/obo/CHEBI_149689 3_STAR
CHEBI:149690 biolink:ChemicalSubstance N-(fatty acyl)-L-phenylalanine(1-) An N-acyl-L-phenylalanine where the acyl chain derives from a fatty acid, major species at pH 7.3. PMID:32271712 phenio.json N-(fatty acyl)-L-phenylalaninate|an N-acyl-L-phenylalanine http://purl.obolibrary.org/obo/CHEBI_149690 2_STAR
CHEBI:149714 biolink:ChemicalSubstance N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-D-glucosaminide(1-) phenio.json alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-[alpha-Neup5Ac-(2->6)]-D-GlcpNAc-R|an alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-D-GlcNAc-R http://purl.obolibrary.org/obo/CHEBI_149714 2_STAR
CHEBI:14973 biolink:ChemicalSubstance pyrazole A monocyclic heteroarene that is a five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 2. PMID:24816008|Wikipedia:Pyrazole phenio.json Pyrazol|pyrazole http://purl.obolibrary.org/obo/CHEBI_14973 3_STAR
CHEBI:149742 biolink:ChemicalSubstance N-(fatty acyl)-glycine(1-) an N-acyl-glycine where the fatty acyl chain is not specified, major species at pH 7.3. PMID:32271712 phenio.json N-(fatty acyl)-glycinate|N-fatty-acyl-Gly(1-)|an N-(fatty acyl)-glycine http://purl.obolibrary.org/obo/CHEBI_149742 2_STAR
CHEBI:149759 biolink:ChemicalSubstance 2-methyl-L-serine zwitterion An amino acid zwitterion obtained from the transfer of a proton from the carboxy group to the amino group of 2-methyl-L-serine. Major species at pH 7.3. MetaCyc:2-METHYL-L-SERINE phenio.json (2S)-2-azaniumyl-3-hydroxy-2-methylpropanoate|(S)-(+)-2-amino-3-hydroxy-2-methylpropionate|(S)-2-methylserine zwitterion|(S)-alpha-MeSer zwitterion|2-methyl-L-serine|alpha-methyl-L-serine zwitterion http://purl.obolibrary.org/obo/CHEBI_149759 3_STAR
CHEBI:149778 biolink:ChemicalSubstance methyl-L-glutamic acid A non-proteinogenic L-alpha-amino acid that is L-glutamic acid substituted with a methyl group. phenio.json methyl-L-glutamic acid|methyl-L-glutamic acids http://purl.obolibrary.org/obo/CHEBI_149778 3_STAR
CHEBI:149779 biolink:ChemicalSubstance mannogen A mannose-containing polysaccharide that is a major energy reserve in Leishmania. It is comprised of linear chains of beta-1,2-linked mannose residues (2-60 residues in length depending on development stage). PMID:12902334|PMID:16766650|PMID:16841351|PMID:21636575|PMID:22393429|PMID:25288791|PMID:31513773|PMID:31662278|PMID:32133420|PMID:34266735 phenio.json beta-1,2-mannan|beta1-2-mannan|mannan http://purl.obolibrary.org/obo/CHEBI_149779 3_STAR
CHEBI:149836 biolink:ChemicalSubstance tigecycline Tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms. CAS:220620-09-7|DrugBank:DB00560|Drug_Central:2661|KEGG:C12012|KEGG:D01079|PMID:17194827|PMID:17210772|PMID:17220399|PMID:17307973|PMID:17353238|PMID:17353249|Reaxys:8379453 phenio.json (4S,4aS,5aR,12aS)-9-(2-(tert-butylamino)acetamido)-4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-2-naphthacenecarboxamide|(4S,4aS,5aR,12aS)-9-[(N-tert-butylglycyl)amino]-4,7-bis(dimethylamino)-3,10,12,12a-tetrahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide http://purl.obolibrary.org/obo/CHEBI_149836 3_STAR
CHEBI:149837 biolink:ChemicalSubstance Alisporivir CAS:254435-95-5 phenio.json Alisporivir [USAN:INN] http://purl.obolibrary.org/obo/CHEBI_149837 2_STAR
CHEBI:149838 biolink:ChemicalSubstance Cryptotanshinone CAS:35825-57-1 phenio.json http://purl.obolibrary.org/obo/CHEBI_149838 2_STAR
CHEBI:149872 biolink:ChemicalSubstance Dihydrotanshinone I CAS:87205-99-0 phenio.json http://purl.obolibrary.org/obo/CHEBI_149872 2_STAR
CHEBI:149906 biolink:ChemicalSubstance Tanshinone I CAS:568-73-0 phenio.json Tanshinone http://purl.obolibrary.org/obo/CHEBI_149906 2_STAR
CHEBI:150013 biolink:ChemicalSubstance emodin anthrone A member of the class of anthracenones that is anthracen-9(10H)-one which carries a methyl group at position 6 and hydroxy groups at positions 1, 3 and 8, respectively. It is an intermediate precursor in the synthesis of hypericin. CAS:491-60-1|FooDB:FDB015346|HMDB:HMDB0036457|KNApSAcK:C00000569|MetaCyc:RXN-14896|PMID:1810248|PMID:18647343|PMID:29600721|PMID:3019234|PMID:32294787 phenio.json 1,3,8-trihydroxy-6-methylanthracen-9(10H)-one|1,3,8-trihydroxy-6-methylanthrone|emodin anthrone|emodin-9-anthrone|emodinanthrone http://purl.obolibrary.org/obo/CHEBI_150013 3_STAR
CHEBI:150018 biolink:ChemicalSubstance 3-aminobutanoic acid zwitterion An amino acid zwitterion that is 3-aminobutanoic acid in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3. MetaCyc:CPD-4748|PMID:28316096 phenio.json 3-aminobutanoate|3-ammoniobutanoate|3-ammoniobutyrate|3-azaniumylbutanoate http://purl.obolibrary.org/obo/CHEBI_150018 3_STAR
CHEBI:15022 biolink:ChemicalSubstance electron donor A molecular entity that can transfer an electron to another molecular entity. phenio.json Elektronendonator|donneur d'electron|electron donor http://purl.obolibrary.org/obo/CHEBI_15022 3_STAR
CHEBI:15031 biolink:ChemicalSubstance dihydroriboflavins A flavin obtained by formal addition of dihydrogen to the benzopteridine ring system of riboflavin. phenio.json http://purl.obolibrary.org/obo/CHEBI_15031 3_STAR
CHEBI:15033 biolink:ChemicalSubstance thioredoxin CAS:52500-60-4|KEGG:C00342 phenio.json Reduced thioredoxin|thioredoxins http://purl.obolibrary.org/obo/CHEBI_15033 3_STAR
CHEBI:15035 biolink:ChemicalSubstance retinal An enal that consists of 3,7-dimethyl-9-nona-2,4,6,8-tetraenal (double bond geometry unspecified) carrying a 2,6,6-trimethylcyclohex-1-en-1-yl group at the 9-position. MetaCyc:Retinals|Reaxys:2055098 phenio.json 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal|retinal http://purl.obolibrary.org/obo/CHEBI_15035 3_STAR
CHEBI:15036 biolink:ChemicalSubstance retinoate phenio.json 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate|retinoate http://purl.obolibrary.org/obo/CHEBI_15036 3_STAR
CHEBI:15040 biolink:ChemicalSubstance retinyl palmitate A palmitate ester of retinol with undefined geometry about the C=C bonds. phenio.json 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate http://purl.obolibrary.org/obo/CHEBI_15040 3_STAR
CHEBI:15045 biolink:ChemicalSubstance riboflavin cyclic 4',5'-phosphate A flavin mononucleotide that is riboflavin (vitamin B2) in which the 4' and 5' hydroxy groups have been converted into a cyclic hydrogen phosphate ester. HMDB:HMDB0059614|KEGG:C16071|MetaCyc:CPD-12658|Reaxys:65486 phenio.json 10-{(2S,3S)-2,3-dihydroxy-3-[(4R)-2-hydroxy-2-oxido-1,3,2-dioxaphospholan-4-yl]propyl}-7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione|cFMN|cyclic FMN|cyclic flavin mononucleotide http://purl.obolibrary.org/obo/CHEBI_15045 3_STAR
CHEBI:1506 biolink:ChemicalSubstance 3-fumarylpyruvic acid A 4,6-dioxohept-2-enedioic acid that is pyruvic acid substituted at position 3 by a fumaryl group. KEGG:C02514|Reaxys:1725757 phenio.json (2E)-4,6-dioxohept-2-enedioic acid http://purl.obolibrary.org/obo/CHEBI_1506 3_STAR
CHEBI:15075 biolink:ChemicalSubstance selenate A divalent inorganic anion obtained by removal of both protons from selenic acid. CAS:14124-68-6|PDBeChem:SE4 phenio.json SELENATE ION|Selenate|[SeO4](2-)|selenate|tetraoxidoselenate(2-) http://purl.obolibrary.org/obo/CHEBI_15075 3_STAR
CHEBI:150865 biolink:ChemicalSubstance 2,4,6-trihydroxyphenylhexan-1-one A 2-acylphloroglucinol in which the acyl group is specified as hexanoyl. It is the intermediate biosynthetic precursor for differentiation-inducing factor 1 (DIF-1). CAS:5665-89-4|PMID:10528134|PMID:20231486|PMID:27112454|PMID:28285928|PMID:6853502 phenio.json 1-(2,4,6-trihydroxyphenyl)-1-hexanone|1-(2,4,6-trihydroxyphenyl)hexan-1-one|2,4,6-trihydroxyphenylhexan-1-one|2-hexanoyl-1,3,5-benzenetriol|THPH|hexanoyl phloroglucinol|phlorocaprophenone http://purl.obolibrary.org/obo/CHEBI_150865 3_STAR
CHEBI:150869 biolink:ChemicalSubstance GS-443902 An organic triphosphate that is GS-441524 in which the 5'-hydroxy group has been replaced by a triphosphate group. It is the active metabolite of remdesivir. CAS:1355149-45-9|PMCID:PMC7242921|PMID:22446091|PMID:26934220|PMID:28124907|PMID:32247927|PMID:32358203|PMID:32402130 phenio.json ((2R,3S,4R,5R)-5-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate|GS-441524 triphosphate|RDV-TP|remdesivir triphosphate http://purl.obolibrary.org/obo/CHEBI_150869 3_STAR
CHEBI:151 biolink:ChemicalSubstance D-threo-isocitric acid The D-threo-diastereomer of isocitric acid. CAS:6061-97-8|Gmelin:1220309|HMDB:HMDB0001874|KEGG:C00451|KNApSAcK:C00001188|MetaCyc:THREO-DS-ISO-CITRATE|PDBeChem:ICT|PMID:17439666|Reaxys:1727947 phenio.json (+)-threo-isocitric acid|(1R,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid|3-carboxy-2,3-dideoxy-L-threo-pentaric acid|D-threo-Isocitric acid|ISOCITRIC ACID http://purl.obolibrary.org/obo/CHEBI_151 3_STAR
CHEBI:15138 biolink:ChemicalSubstance sulfide(2-) A divalent inorganic anion obtained by removal of both protons from hydrogen sulfide. CAS:18496-25-8|UM-BBD_compID:c0569 phenio.json S(2-)|Sulfide|sulfanediide|sulfide(2-)|sulphide http://purl.obolibrary.org/obo/CHEBI_15138 3_STAR
CHEBI:151472 biolink:ChemicalSubstance N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose An amino trisaccharide that comprises of a linear sequence of alpha-N-acetylneuraminyl, beta-D-galactosyl and D-glucose residues linked (2->3) and (1->4). It is found in human milk. CAS:35890-38-1|FooDB:FDB021795|GlyGen:G56516VH|GlyTouCan:G56516VH|HMDB:HMDB0000825|KEGG:G00436|PMID:11117332|PMID:15158661|PMID:26613816|PMID:35304182|PMID:35802806|PMID:36372185|PMID:3652076|PMID:36838693|PMID:36986193|PMID:37341636|Reaxys:75357 phenio.json 3'-SL|3'-sialyllactose|5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose|5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose|NeuAc(a2-3)Gal(b1-4)Glc|WURCS=2.0/3,3,2/[a2122h-1x_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2|alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose|alpha-Neu5Ac-(2->3)-beta-D-Galp-(1->4)-D-Glc|alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-Glc http://purl.obolibrary.org/obo/CHEBI_151472 3_STAR
CHEBI:15172 biolink:ChemicalSubstance tRNA(Asx) phenio.json http://purl.obolibrary.org/obo/CHEBI_15172 3_STAR
CHEBI:15176 biolink:ChemicalSubstance tRNA(Glx) phenio.json http://purl.obolibrary.org/obo/CHEBI_15176 3_STAR
CHEBI:15193 biolink:ChemicalSubstance DL-tartrate(2-) A racemate comprising equimolar amounts of D- and L-tartrate(2-). Beilstein:5740673 phenio.json rac-(2R,3R)-2,3-dihydroxybutanedioate http://purl.obolibrary.org/obo/CHEBI_15193 3_STAR
CHEBI:15208 biolink:ChemicalSubstance taxuyunnanin C KEGG:C15537|KNApSAcK:C00000901 phenio.json Taxuyunnanin C|taxa-4(20),11-diene-2alpha,5alpha,10beta,14beta-tetrayl tetraacetate|taxuyunnanin C http://purl.obolibrary.org/obo/CHEBI_15208 3_STAR
CHEBI:15226 biolink:ChemicalSubstance tetrathionate(2-) CAS:15536-54-6|Gmelin:3301|KEGG:C02084 phenio.json 2,2,5,5-tetraoxido-1,6-dioxy-2,3,4,5-tetrasulfy-[6]catenate(2-)|Tetrathionat|Tetrathionate|[O3SSSSO3](2-)|[S4O6](2-)|bis[(trioxidosulfato)sulfate](S--S)(2-)|disulfanedisulfonate|tetrathionate|tetrathionate ion(2-) http://purl.obolibrary.org/obo/CHEBI_15226 3_STAR
CHEBI:15243 biolink:ChemicalSubstance threonate A 2,3,4-trihydroxybutanoate that is the conjugate base of threonic acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_15243 3_STAR
CHEBI:15245 biolink:ChemicalSubstance thymidine 5'-monophosphate phenio.json http://purl.obolibrary.org/obo/CHEBI_15245 3_STAR
CHEBI:152555 biolink:ChemicalSubstance (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one(1-) A phenolate anion resulting from the removal of a proton from the phenolic hydroxy group of (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. It is the major species at pH 7.3. PMID:9446571 phenio.json (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one|2-chloro-4-hexanoyl-3,5-dihydroxyphenolate|Cl-THPH(1-)|chloro-THPH(1-) http://purl.obolibrary.org/obo/CHEBI_152555 3_STAR
CHEBI:152563 biolink:ChemicalSubstance glycosylglucopyranuronic acid A disaccharide having glucopyranuronic acid at the reducing end with a glycosyl residue attached at an unspecified position via a glycosidic bond. phenio.json http://purl.obolibrary.org/obo/CHEBI_152563 3_STAR
CHEBI:15258 biolink:ChemicalSubstance trichlorophenols Any chlorophenol derivative that contains three covalently bonded chlorine atoms. phenio.json http://purl.obolibrary.org/obo/CHEBI_15258 3_STAR
CHEBI:15266 biolink:ChemicalSubstance triphosphate ion phenio.json Triphosphat|triphosphate ions http://purl.obolibrary.org/obo/CHEBI_15266 3_STAR
CHEBI:153066 biolink:ChemicalSubstance (S)-oxalatosuccinate(3-) An oxalatosuccinate(3-) in which the carboxy group at position 2 adopts an S-configuration. PMID:18203822 phenio.json (2S)-1-oxopropane-1,2,3-tricarboxylate|(S)-oxalosuccinate http://purl.obolibrary.org/obo/CHEBI_153066 3_STAR
CHEBI:153067 biolink:ChemicalSubstance 2-[(E)-caffeoyl]-D-threo-isocitrate(3-) phenio.json 2-[(E)-caffeoyl]-D-threo-isocitrate(3-) http://purl.obolibrary.org/obo/CHEBI_153067 2_STAR
CHEBI:15318 biolink:ChemicalSubstance xanthine A purine nucleobase found in humans and other organisms. ECMDB:ECMDB00292|KNApSAcK:C00019660|PMID:1557408|PMID:24629268|PMID:9007687|YMDB:YMDB00263 phenio.json 2,6-dioxopurine|2,6-dioxopurines|xanthine|xanthines http://purl.obolibrary.org/obo/CHEBI_15318 3_STAR
CHEBI:15333 biolink:ChemicalSubstance zeatin Beilstein:1217241 phenio.json 2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol|zeatin http://purl.obolibrary.org/obo/CHEBI_15333 3_STAR
CHEBI:15335 biolink:ChemicalSubstance 5,7-dihydroxy-4'-methoxyflavone A monomethoxyflavone that is the 4'-methyl ether derivative of apigenin. CAS:480-44-4|KEGG:C01470|KNApSAcK:C00003820|LINCS:LSM-6662|LIPID_MAPS_instance:LMPK12110468|MetaCyc:CPD-1095|PMID:19693651|PMID:21993665|PMID:22360797|PMID:23325489|Reaxys:277879|Wikipedia:Acacetin phenio.json 4'-Methoxy-5,7-dihydroxyflavone|5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone|5,7-Dihydroxy-4'-methoxyflavone|5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one|5,7-dihydroxy-4'-methoxyflavone|Acacetin|Linarigenin http://purl.obolibrary.org/obo/CHEBI_15335 3_STAR
CHEBI:15337 biolink:ChemicalSubstance beta-alanopine Beilstein:1773072|KEGG:C02207 phenio.json 2-[(2-carboxyethyl)amino]propanoic acid|N-(2-carboxyethyl)alanine|beta-Alanopine http://purl.obolibrary.org/obo/CHEBI_15337 3_STAR
CHEBI:15339 biolink:ChemicalSubstance acceptor A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity. KEGG:C00028|KEGG:C16722 phenio.json A|Acceptor|Akzeptor|Hydrogen-acceptor|Oxidized donor|accepteur http://purl.obolibrary.org/obo/CHEBI_15339 3_STAR
CHEBI:15341 biolink:ChemicalSubstance beta-D-glucosiduronic acid A glucosiduronic acid resulting from the formal condensation of any substance with beta-D-glucuronic acid to form a glycosidic bond. KEGG:C03033 phenio.json Acceptor beta-D-glucuronoside|Glucuronide|beta-D-Glucuronide|beta-D-Glucuronoside|beta-D-glucosiduronic acids|beta-D-glucuronides|beta-D-glucuronosides http://purl.obolibrary.org/obo/CHEBI_15341 3_STAR
CHEBI:15342 biolink:ChemicalSubstance acenaphthoquinone An orthoquinone that is the 1,2-dioxo derivative of acenaphthene. CAS:82-86-0|Gmelin:143091|KEGG:C02807|PDB:1OAX|PDBeChem:ANQ|PMID:14500876|PMID:1650428|PMID:17082565|PMID:17925309|PMID:21941409|PMID:22010712|PMID:22779655|Reaxys:879172|Wikipedia:Acenaphthoquinone phenio.json 1,2-Diketoacenaphthene|1,2-acenaphthenedione|1,2-acenaphthenequinone|1,2-acenaphthylenedione|ACENAPHTHENEQUINONE|AcQ|Acenaphthenequinone|Acenaphthoquinone|Aq|acenaphthene quinone|acenaphthene-1,2-dione|acenaphthodione|acenaphthylene-1,2-dione|acenaphthylene-1,2-quinone|acenaphthylenedione|diketoacenaphthene http://purl.obolibrary.org/obo/CHEBI_15342 3_STAR
CHEBI:15343 biolink:ChemicalSubstance acetaldehyde The aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke. CAS:75-07-0|Gmelin:779|HMDB:HMDB0000990|KEGG:C00084|KNApSAcK:C00007392|LINCS:LSM-37193|PDBeChem:ACE|PMID:11058591|PMID:110589|PMID:11087437|PMID:11290854|PMID:15239123|PMID:15833031|PMID:16404561|PMID:16485909|PMID:18001279|PMID:19396661|PMID:2233695|PMID:24282063|PMID:24326678|PMID:24503565|PMID:4239189|PMID:5526694|PMID:6036728|PMID:7163973|PMID:9171333|Reaxys:505984|UM-BBD_compID:c0160|Wikipedia:Acetaldehyde phenio.json ACETALDEHYDE|Acetaldehyd|Acetaldehyde|Azetaldehyd|Ethanal|acetaldehyde|acetaldehydes|acetic aldehyde|ethyl aldehyde http://purl.obolibrary.org/obo/CHEBI_15343 3_STAR
CHEBI:15344 biolink:ChemicalSubstance acetoacetic acid A 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent. CAS:541-50-4|DrugBank:DB01762|HMDB:HMDB0000060|KEGG:C00164|KNApSAcK:C00007458|LIPID_MAPS_instance:LMFA01060003|MetaCyc:3-KETOBUTYRATE|PMID:17190852|PMID:20444635|PMID:21806064|PMID:22382897|PMID:3884391|Reaxys:1747690|UM-BBD_compID:c0069|Wikipedia:Acetoacetic_acid phenio.json 3-Ketobutyric acid|3-Oxobutanoic acid|3-Oxobutyric acid|3-ketobutanoic acid|3-oxobutanoic acid|Acetoacetic acid|beta-Ketobutyric acid http://purl.obolibrary.org/obo/CHEBI_15344 3_STAR
CHEBI:15345 biolink:ChemicalSubstance acetoacetyl-CoA A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of acetoacetic acid. CAS:1420-36-6|DrugBank:DB03059|FooDB:FDB022648|HMDB:HMDB0001484|KEGG:C00332|KNApSAcK:C00007269|LIPID_MAPS_instance:LMFA07050030|PDBeChem:CAA|PMID:10806397|PMID:11137815|PMID:11451959|PMID:12501183|PMID:1682408|PMID:16887802|PMID:239468|PMID:24211201|PMID:26527136|PMID:27093562|PMID:27124816|PMID:28062645|PMID:29226071|PMID:32218776|PMID:6118268|PMID:6150478|PMID:7857927|Reaxys:78273|UM-BBD_compID:c0229|Wikipedia:Acetoacetyl-CoA phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxobutanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3-Acetoacetyl-CoA|Acetoacetyl coenzyme A|Acetoacetyl-CoA|S-Acetoacetyl-coenzym A|S-acetoacetyl-CoA|S-acetoacetyl-coenzyme A|acetoacetyl CoA http://purl.obolibrary.org/obo/CHEBI_15345 3_STAR
CHEBI:15346 biolink:ChemicalSubstance coenzyme A A thiol comprising a panthothenate unit in phosphoric anhydride linkage with a 3',5'-adenosine diphosphate unit; and an aminoethanethiol unit. Beilstein:77809|CAS:85-61-0|DrugBank:DB01992|KEGG:C00010|KNApSAcK:C00007258|PDBeChem:COA|PDBeChem:COZ|PMID:11923312|PMID:13025483|PMID:15014152|PMID:15893380|PMID:18407920|PMID:19666462|PMID:20351285|PMID:2981478|PMID:7310833|Wikipedia:Coenzyme_A phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}|3'-phosphoadenosine-(5')diphospho(4')pantatheine|COENZYME A|CoA|CoA-SH|CoASH|Coenzym A|Coenzyme A|HSCoA|Koenzym A|[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_15346 3_STAR
CHEBI:15347 biolink:ChemicalSubstance acetone A methyl ketone that consists of propane bearing an oxo group at C2. CAS:67-64-1|Gmelin:1466|HMDB:HMDB0001659|KEGG:C00207|KEGG:D02311|LIPID_MAPS_instance:LMFA12000057|MetaCyc:ACETONE|PDBeChem:ACN|PMID:17190852|PMID:17347819|Reaxys:635680|UM-BBD_compID:c0556|Wikipedia:Acetone phenio.json 2-Propanone|ACETONE|Aceton|Acetone|Azeton|Dimethyl ketone|Dimethylketon|Propanon|Pyroacetic ether|acetone|beta-Ketopropane|dimethylcetone|dimethylketone|methyl ketone|propan-2-one|propanone http://purl.obolibrary.org/obo/CHEBI_15347 3_STAR
CHEBI:15348 biolink:ChemicalSubstance 2-hydroxy-2-methylpropanenitrile CAS:75-86-5|DrugBank:DB02203|KEGG:C02659 phenio.json 2-Hydroxy-2-methylpropanenitrile|2-Hydroxyisobutyronitrile|2-Methyllactonitrile|2-hydroxy-2-methylpropanenitrile|Acetone cyanhydrin|Acetone cyanohydrin|acetone-cyanohydrin|alpha-Hydroxyisobutyronitrile http://purl.obolibrary.org/obo/CHEBI_15348 3_STAR
CHEBI:15349 biolink:ChemicalSubstance acetone oxime CAS:127-06-0|KEGG:C01995 phenio.json Acetone oxime|Acetoxime|acetone oxime|propan-2-one oxime http://purl.obolibrary.org/obo/CHEBI_15349 3_STAR
CHEBI:15350 biolink:ChemicalSubstance acetyl dihydrogen phosphate An acyl monophosphate in which the acyl group specified is acetyl. CAS:590-54-5|DrugBank:DB02897|HMDB:HMDB0001494|KEGG:C00227|KNApSAcK:C00019559|PDBeChem:UVW|PMID:18430561|PMID:18863815|PMID:19026742|Reaxys:1764251 phenio.json (acetyloxy)phosphonic acid|ACETYLPHOSPHATE|Acetyl phosphate|acetic acid, monoanhydride with phosphoric acid|acetic phosphoric monoanhydride|acetyl dihydrogen phosphate|acetylphosphoric acid|monoacetyl phosphate http://purl.obolibrary.org/obo/CHEBI_15350 3_STAR
CHEBI:15351 biolink:ChemicalSubstance acetyl-CoA An acyl-CoA having acetyl as its S-acetyl component. CAS:72-89-9|ECMDB:ECMDB01206|HMDB:HMDB0001206|KEGG:C00024|KNApSAcK:C00007259|PDBeChem:ACO|PMID:12527305|PMID:12739170|PMID:15247244|PMID:16101314|PMID:16667687|PMID:16708165|PMID:17189273|PMID:17242360|PMID:17631502|PMID:18613815|PMID:19356710|PMID:19596230|PMID:19914586|PMID:3950616|Reaxys:78145|UM-BBD_compID:c0031|Wikipedia:Acetyl-CoA|YMDB:YMDB00312 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(acetylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)|AcCoA|Acetyl coenzyme A|Acetyl-CoA|S-acetyl-CoA|S-acetyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15351 3_STAR
CHEBI:15353 biolink:ChemicalSubstance blasticidin S A blasticidin that is an antibiotic obtained from Streptomyces griseochromogene. CAS:2079-00-7|HMDB:HMDB0030452|KEGG:C02010|KNApSAcK:C00016063|KNApSAcK:C00027948|MetaCyc:blasticidin-s|PDBeChem:BLS|PMID:12964155|PMID:13525246|PMID:16659097|PMID:23377931|PMID:23824292|PMID:23879927|PMID:23880034|PMID:24782309|PMID:3824882|PMID:5842139|Pesticides:blasticidin-s|Reaxys:68255|Wikipedia:Blasticidin_S phenio.json 4-amino-1-(4-{[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1H)-one|Blasticidin S|Blasticidin-S http://purl.obolibrary.org/obo/CHEBI_15353 3_STAR
CHEBI:15354 biolink:ChemicalSubstance choline A choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. CAS:62-49-7|DrugBank:DB00122|Drug_Central:3097|ECMDB:ECMDB00097|Gmelin:324597|HMDB:HMDB0000097|KEGG:C00114|KEGG:D07690|KNApSAcK:C00007298|MetaCyc:CHOLINE|PDBeChem:CHT|PMID:10930630|PMID:12826235|PMID:12946691|PMID:14972364|PMID:16210714|PMID:17087106|PMID:17283071|PMID:17344490|PMID:18204095|PMID:18230680|PMID:18786517|PMID:18786520|PMID:19246089|PMID:20038853|PMID:20446114|PMID:22770225|PMID:22961562|PMID:23095202|PMID:23616508|PMID:23637565|PMID:23733158|PMID:6420466|PMID:7590654|PMID:9517478|Reaxys:1736748|Wikipedia:Choline|YMDB:YMDB00227 phenio.json 2-hydroxy-N,N,N-trimethylethanaminium|Bilineurine|CHOLINE ION|Choline|N,N,N-trimethylethanol-ammonium|N-trimethylethanolamine|choline|trimethylethanolamine http://purl.obolibrary.org/obo/CHEBI_15354 3_STAR
CHEBI:15355 biolink:ChemicalSubstance acetylcholine Actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter. Beilstein:1764436|CAS:51-84-3|DrugBank:DB03128|Drug_Central:65|Gmelin:326108|KEGG:C01996|LINCS:LSM-5888|PDBeChem:ACH|PMID:14764638|PMID:15014918|PMID:15231705|PMID:15361288|PMID:18050502|PMID:18407448|PMID:19255787|PMID:20963497|PMID:21130809|PMID:21246223|PMID:21545631|PMID:21601579|Wikipedia:Acetylcholine phenio.json 2-acetyloxy-N,N,N-trimethylethanaminium|ACETYLCHOLINE|ACh|Acetylcholine|Azetylcholin|O-Acetylcholine|acetylcholine|choline acetate http://purl.obolibrary.org/obo/CHEBI_15355 3_STAR
CHEBI:15356 biolink:ChemicalSubstance cysteine A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3. CAS:3374-22-9|Gmelin:2933|KEGG:C00736|KNApSAcK:C00001351|KNApSAcK:C00007323|PMID:17439666|PMID:25181601|Reaxys:1721406|Wikipedia:Cysteine phenio.json 2-Amino-3-mercaptopropionic acid|2-amino-3-mercaptopropanoic acid|2-amino-3-sulfanylpropanoic acid|C|Cys|Cystein|Cysteine|Hcys|Zystein|cisteina|cysteine http://purl.obolibrary.org/obo/CHEBI_15356 3_STAR
CHEBI:153569 biolink:ChemicalSubstance (3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one An aromatic ketone that is phloroglucinol in which two of the hydrogens attached to the benzene ring have been replaced by a chloro and hexanoyl groups. It is an intermediate biosynthetic precursor for differentiation-inducing factor 1 (DIF-1) which is a major inducer of stalk cell differentiation. PMID:16545913|PMID:17259634|PMID:18402932|PMID:20231486|PMID:9446571 phenio.json 1-(2,4,6-trihydroxy-3-chlorophenyl)-1-hexanone|1-(3-chloro-2,4,6-trihydroxyphenyl)-1-hexanone|1-(3-chloro-2,4,6-trihydroxyphenyl)hexan-1-one|Cl-THPH|chloro-THPH http://purl.obolibrary.org/obo/CHEBI_153569 3_STAR
CHEBI:15357 biolink:ChemicalSubstance acetylenedicarboxylate(2-) A dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of acetylenedicarboxylic acid. Gmelin:325291|KEGG:C03248|Reaxys:3662972 phenio.json 2-butynedioate|acetylenedicarboxylate|but-2-ynedioate http://purl.obolibrary.org/obo/CHEBI_15357 3_STAR
CHEBI:15358 biolink:ChemicalSubstance histone CAS:37244-51-2|KEGG:C01429 phenio.json Histone http://purl.obolibrary.org/obo/CHEBI_15358 3_STAR
CHEBI:15360 biolink:ChemicalSubstance acetylpyruvate CAS:5699-58-1|KEGG:C02132|UM-BBD_compID:c0158 phenio.json 2,4-dioxopentanoate|acetylpyruvate http://purl.obolibrary.org/obo/CHEBI_15360 3_STAR
CHEBI:15361 biolink:ChemicalSubstance pyruvate A 2-oxo monocarboxylic acid anion that is the conjugate base of pyruvic acid, arising from deprotonation of the carboxy group. CAS:57-60-3|Gmelin:2502|KEGG:C00022|PMID:17190852|PMID:21603897|PMID:21823181|PMID:21854850|PMID:22006570|PMID:22016370|PMID:22215378|PMID:22311625|PMID:22451307|PMID:22458763|Reaxys:3587721|UM-BBD_compID:c0159 phenio.json 2-oxopropanoate|2-oxopropanoic acid, ion(1-)|pyruvate http://purl.obolibrary.org/obo/CHEBI_15361 3_STAR
CHEBI:15362 biolink:ChemicalSubstance hydroxyacetone phosphate KEGG:C03505 phenio.json 2-oxopropyl dihydrogen phosphate|Acetol phosphate|Hydroxyacetone phosphate http://purl.obolibrary.org/obo/CHEBI_15362 3_STAR
CHEBI:15363 biolink:ChemicalSubstance N-acetylindoxyl A hydroxyindole that is indoxyl in which the hydrogen attached to the nitrogen is replaced by an acetyl group. CAS:33025-60-4|Chemspider:388767|KEGG:C02298|MetaCyc:N-ACETYLINDOXYL|PMID:13159343|PMID:3941406 phenio.json 1-(3-hydroxy-1H-indol-1-yl)ethan-1-one|1-acetyl-1H-indol-3-ol|Acetylindoxyl|N-Acetylindoxyl|N-acetylindoxyl http://purl.obolibrary.org/obo/CHEBI_15363 3_STAR
CHEBI:15364 biolink:ChemicalSubstance propynoate An acetylenic fatty acid anion and the conjugate base of propynoic acid, arising from deprotonation of the carboxylic acid group. Gmelin:323514|KEGG:C00804|Reaxys:3903650 phenio.json Acetylenemonocarboxylate|Propiolat|acetylenecarboxylate|prop-2-ynoate|propiolate|propynoate http://purl.obolibrary.org/obo/CHEBI_15364 3_STAR
CHEBI:15365 biolink:ChemicalSubstance acetylsalicylic acid A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity. CAS:50-78-2|DrugBank:DB00945|Drug_Central:74|Gmelin:218864|HMDB:HMDB0001879|KEGG:C01405|KEGG:D00109|LINCS:LSM-5288|MetaCyc:CPD-524|PDBeChem:AIN|PMID:11203441|PMID:11402787|PMID:11597554|PMID:11733186|PMID:12852484|PMID:14753751|PMID:15542410|PMID:15590729|PMID:1650428|PMID:18226435|PMID:18335236|PMID:18631321|PMID:19010312|PMID:19386367|PMID:19706045|PMID:21699808|PMID:22866967|PMID:445303|Reaxys:779271|Wikipedia:Aspirin phenio.json 2-(ACETYLOXY)BENZOIC ACID|2-(acetyloxy)benzoic acid|2-Acetoxybenzenecarboxylic acid|2-acetoxybenzoic acid|ASA|Acetylsalicylate|Acetylsalicylic acid|Acetylsalicylsaeure|Aspirin|Azetylsalizylsaeure|Easprin|O-acetylsalicylic acid|acide 2-(acetyloxy)benzoique|acide acetylsalicylique|acido acetilsalicilico|acidum acetylsalicylicum|o-acetoxybenzoic acid|o-carboxyphenyl acetate|salicylic acid acetate http://purl.obolibrary.org/obo/CHEBI_15365 3_STAR
CHEBI:15366 biolink:ChemicalSubstance acetic acid A simple monocarboxylic acid containing two carbons. CAS:64-19-7|Drug_Central:4211|Gmelin:1380|HMDB:HMDB0000042|KEGG:C00033|KEGG:D00010|KNApSAcK:C00001176|LIPID_MAPS_instance:LMFA01010002|MetaCyc:ACET|PDBeChem:ACT|PDBeChem:ACY|PMID:12005138|PMID:15107950|PMID:16630552|PMID:16774200|PMID:17190852|PMID:19416101|PMID:19469536|PMID:22153255|PMID:22173419|PPDB:1333|Reaxys:506007|Wikipedia:Acetic_acid phenio.json ACETIC ACID|AcOH|Acetic acid|CH3-COOH|CH3CO2H|E 260|E-260|E260|Essigsaeure|Ethanoic acid|Ethylic acid|HOAc|INS No. 260|MeCO2H|MeCOOH|Methanecarboxylic acid|acetic acid|acide acetique|ethoic acid http://purl.obolibrary.org/obo/CHEBI_15366 3_STAR
CHEBI:15367 biolink:ChemicalSubstance all-trans-retinoic acid A retinoic acid in which all four exocyclic double bonds have E- (trans-) geometry. CAS:302-79-4|DrugBank:DB00755|Drug_Central:2722|FooDB:FDB022710|HMDB:HMDB0001852|KEGG:C00777|KEGG:D00094|LIPID_MAPS_instance:LMPR01090019|PDBeChem:REA|PMID:10022884|PMID:10970886|PMID:11073974|PMID:11214352|PMID:11332619|PMID:11343416|PMID:11437362|PMID:11556813|PMID:11722649|PMID:11896294|PMID:11904404|PMID:12958591|PMID:14581379|PMID:14605492|PMID:14627725|PMID:14704332|PMID:14705145|PMID:14978018|PMID:15194426|PMID:15318809|PMID:15327395|PMID:15359008|PMID:15376324|PMID:15476854|PMID:15537748|PMID:15539337|PMID:15675886|PMID:15839997|PMID:16569247|PMID:16685080|PMID:16688769|PMID:16720557|PMID:16819260|PMID:16847436|PMID:16920920|PMID:17073551|PMID:17166212|PMID:17204142|PMID:17447762|PMID:18052213|PMID:18085670|PMID:18162363|PMID:18183617|PMID:18318655|PMID:18322276|PMID:18400206|PMID:18404486|PMID:18440196|PMID:18678272|PMID:18800767|PMID:18819820|PMID:18977311|PMID:19018099|PMID:19112091|PMID:19144697|PMID:19427305|PMID:19587328|PMID:19597529|PMID:19814868|PMID:19841174|PMID:21898109|PMID:21924320|PMID:21993673|PMID:22134377|PMID:22177959|PMID:22180426|PMID:22244299|PMID:22261335|PMID:22428994|PMID:22514600|PMID:22532966|PMID:22534100|PMID:22538278|PMID:22741806|PMID:27759097|PMID:29492455|PMID:33662750|PMID:33820492|PMID:34050114|PMID:34050360|PMID:34091189|PMID:7501014|PMID:7704533|PMID:7961949|Reaxys:2057223|Wikipedia:Retinoic_acid|Wikipedia:Tretinoin phenio.json (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid|(all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid|3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid|3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2E,4E,6E,8E-tetraenoic acid|AGN 100335|Acide retinoique (French)|Altreno|Atralin|Avita|Betarretin|Biacna|Cordes vas|Dermairol|Refissa|Renova|Retin-A|Retisol-A|Ro 1-5488|Stieva-A|Tretin M|Tri-luma|Veltin|Vesanoid|all-(E)-retinoic acid|all-trans retinoic acid|all-trans-beta-Retinoic acid|all-trans-retinoic acid|all-trans-tretinoin|all-trans-vitamin A acid|all-trans-vitamin A1 acid|beta-Retinoic acid|retinoic acid|trans-retinoic acid|tretinoin|tretinoina|tretinoine|tretinoinum|vitamin A acid http://purl.obolibrary.org/obo/CHEBI_15367 3_STAR
CHEBI:15368 biolink:ChemicalSubstance acrolein An enal that is prop-2-ene with an oxo group at position 1. CAS:107-02-8|HMDB:HMDB0041822|KEGG:C01471|MetaCyc:ACROLEIN|PMID:11888018|PMID:16725382|PMID:18023956|PMID:18234483|PMID:18686065|PMID:18823586|PPDB:1016|Reaxys:741856|Wikipedia:Acrolein phenio.json Acrolein|Acrylaldehyde|Acrylic aldehyde|Propenal|acrolein|acrylaldehyde http://purl.obolibrary.org/obo/CHEBI_15368 3_STAR
CHEBI:15369 biolink:ChemicalSubstance actinomycin A large group of antibiotics isolated from various species of Streptomyces and characterised by having a substituted phenoxazine ring linked to two cyclic heterodetic peptides. CAS:1402-38-6|KEGG:C01775 phenio.json Actinomycin|actinomycins http://purl.obolibrary.org/obo/CHEBI_15369 3_STAR
CHEBI:15371 biolink:ChemicalSubstance 3-oxopristanoyl-CoA A multi-methyl-branched fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-oxopristanic acid. KEGG:C07297 phenio.json 2,6,10,14-3-oxotetramethylpentadecanoyl-CoA|2,6,10,14-3-oxotetramethylpentadecanoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2,6,10,14-tetramethyl-3-oxopentadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3-Oxopristanoyl-CoA|3-ketopristanoyl-CoA|3-ketopristanoyl-coenzyme A|3-oxopristanoyl-CoA|3-oxopristanoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15371 3_STAR
CHEBI:15372 biolink:ChemicalSubstance 5,6,7,8-tetrahydrobiopterin Beilstein:544742|CAS:17528-72-2|DrugBank:DB00360|KEGG:C00272|PDBeChem:H4B phenio.json 2-Amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydoro-4(1H)-pteridinone|2-amino-6-(1,2-dihydroxypropyl)-5,6,7,8-tetrahydropteridin-4(3H)-one|5,6,7,8-TETRAHYDROBIOPTERIN|5,6,7,8-Tetrahydrobiopterin|5,6,7,8-tetrahydrobiopterin|BH4|Tetrahydrobiopterin http://purl.obolibrary.org/obo/CHEBI_15372 3_STAR
CHEBI:15373 biolink:ChemicalSubstance biopterin A pterin derivative that consists of pterin bearing amino, oxo and 1,2-dihydroxypropyl substituents at positions 2, 4 and 6 respectively. The parent of the class of biopterins; the L-erythro isomer occurs widely in nature. CAS:22150-76-1|DrugBank:DB03886|KEGG:C06313|PMID:22770225|Reaxys:234314|Wikipedia:Biopterin phenio.json 2-Amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinone|2-amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinone|2-amino-6-(1,2-dihydroxypropyl)pteridin-4(3H)-one|Biopterin http://purl.obolibrary.org/obo/CHEBI_15373 3_STAR
CHEBI:15374 biolink:ChemicalSubstance 4a-hydroxytetrahydrobiopterin A tetrahydropterin that is 5,6,7,8-tetrahydrobiopterin carrying an additional hydroxy substituent at the 4a-position. CAS:70110-58-6|MetaCyc:CPD-5881 phenio.json 2-amino-6-(1,2-dihydroxypropyl)-4a-hydroxy-5,6,7,8-tetrahydropteridin-4(4aH)-one|4a-Hydroxy-5,6,4,8-tetrahydrobiopterin http://purl.obolibrary.org/obo/CHEBI_15374 3_STAR
CHEBI:15375 biolink:ChemicalSubstance D-erythro-7,8-dihydrobiopterin A 7,8-dihydrobiopterin in which the 1,2-dihydroxypropyl group has (1S,2R)-configuration. DrugBank:DB04400 phenio.json 2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-7,8-dihydropteridin-4(1H)-one|7,8-Dihydrobiopterin|D-erythro-7,8-dihydrobiopterin http://purl.obolibrary.org/obo/CHEBI_15375 3_STAR
CHEBI:15377 biolink:ChemicalSubstance water An oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms CAS:7732-18-5|Gmelin:117|HMDB:HMDB0002111|KEGG:C00001|KEGG:D00001|MetaCyc:WATER|MolBase:1|PDBeChem:HOH|Reaxys:3587155|Wikipedia:Water phenio.json BOUND WATER|H2O|HOH|WATER|Wasser|Water|[OH2]|acqua|agua|aqua|dihydridooxygen|dihydrogen oxide|eau|hydrogen hydroxide|oxidane|water http://purl.obolibrary.org/obo/CHEBI_15377 3_STAR
CHEBI:15378 biolink:ChemicalSubstance hydron The general name for the hydrogen nucleus, to be used without regard to the hydrogen nuclear mass (either for hydrogen in its natural abundance or where it is not desired to distinguish between the isotopes). KEGG:C00080 phenio.json H(+)|H+|Hydron|hydrogen(1+)|hydron http://purl.obolibrary.org/obo/CHEBI_15378 3_STAR
CHEBI:15379 biolink:ChemicalSubstance dioxygen CAS:7782-44-7|Gmelin:485|HMDB:HMDB0001377|KEGG:C00007|KEGG:D00003|MetaCyc:OXYGEN-MOLECULE|MolBase:750|PDBeChem:OXY|PMID:10906528|PMID:16977326|PMID:18210929|PMID:18638417|PMID:19840863|PMID:7710549|PMID:9463773|Wikipedia:Oxygen phenio.json Disauerstoff|E 948|E-948|E948|O2|OXYGEN MOLECULE|Oxygen|[OO]|dioxygen|dioxygene|molecular oxygen http://purl.obolibrary.org/obo/CHEBI_15379 3_STAR
CHEBI:15380 biolink:ChemicalSubstance succinyl-CoA An omega-carboxyacyl-CoA having succinoyl as the S-acyl component. CAS:604-98-8|DrugBank:DB03699|KEGG:C00091|KNApSAcK:C00019546|PDBeChem:SCA|PMID:15627487|PMID:17259607|PMID:38930|PMID:7462221|Reaxys:78365|UM-BBD_compID:c0344 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Coenzyme A, S-(hydrogen butanedioate)|S-(3-Carboxy-propionyl)-coenzym-A|S-(3-carboxy-propionyl)-CoA|S-(3-carboxypropionyl)-coenzyme-A|S-(Hydrogen succinyl)coenzyme A|S-(hydrogen succinyl)-CoA|SUCCINYL-COENZYME A|Succinyl coenzyme A|Succinyl-CoA|Succinyl-coenzyme A|succinyl-CoA http://purl.obolibrary.org/obo/CHEBI_15380 3_STAR
CHEBI:15382 biolink:ChemicalSubstance (4R)-limonene An optically active form of limonene having (4R)-configuration. BPDB:418|CAS:5989-27-5|Gmelin:363573|KEGG:C06099|KEGG:D00194|KNApSAcK:C00010868|LIPID_MAPS_instance:LMPR0102090013|PMID:24160248|PMID:24183592|Reaxys:2204754|UM-BBD_compID:c0685|VSDB:418 phenio.json (+)-(4R)-Limonene|(+)-(R)-Limonene|(+)-4-isopropenyl-1-methylcyclohexene|(+)-Limonene|(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene|(4R)-1-methyl-4-isopropenylcyclohex-1-ene|(4R)-4-isopropenyl-1-methylcyclohexene|(4R)-limonene|(R)-(+)-limonene|(R)-(+)-p-mentha-1,8-diene|(R)-1-methyl-4-(1-methylethenyl)cyclohexene|(R)-4-isopropenyl-1-methyl-1-cyclohexene|(R)-p-mentha-1,8-diene|4betaH-p-mentha-1,8-diene|D-(+)-limonene|D-Limonen|D-limonene|d-limonene http://purl.obolibrary.org/obo/CHEBI_15382 3_STAR
CHEBI:15383 biolink:ChemicalSubstance (4S)-limonene An optically active form of limonene having (4S)-configuration. Beilstein:2323991|CAS:5989-54-8|Gmelin:363574|KEGG:C00521|KNApSAcK:C00000803|LIPID_MAPS_instance:LMPR0102090002 phenio.json (-)-(4S)-Limonene|(-)-(S)-Limonene|(-)-(S)-limonene|(-)-Limonene|(4S)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene|(4S)-1-methyl-4-isopropenylcyclohex-1-ene|(4S)-4-isopropenyl-1-methylcyclohexene|(4S)-limonene|(S)-(-)-p-mentha-1,8-diene|(S)-1-methyl-4-(1-methylethenyl)cyclohexene|(S)-p-mentha-1,8-diene|4alphaH-p-mentha-1,8-diene|L-Limonen|L-limonene http://purl.obolibrary.org/obo/CHEBI_15383 3_STAR
CHEBI:15384 biolink:ChemicalSubstance limonene A monoterpene that is cyclohex-1-ene substituted by a methyl group at position 1 and a prop-1-en-2-yl group at position 4 respectively. CAS:138-86-3|CAS:7705-14-8|KEGG:C06078|KNApSAcK:C00000823|KNApSAcK:C00003043|Reaxys:774123|UM-BBD_compID:c0626 phenio.json (+-)-(RS)-limonene|(+/-)-limonene|1,8-p-menthadiene|1-methyl-4-(1-methylethenyl)cyclohexene|1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene|4-isopropenyl-1-methylcyclohexene|Cajeputene|Dipentene|Kautschin|Limonene|dl-Limonene|limonene|p-mentha-1,8-diene http://purl.obolibrary.org/obo/CHEBI_15384 3_STAR
CHEBI:15385 biolink:ChemicalSubstance (+)-delta-cadinene A member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1S,8aR-enantiomer). CAS:483-76-1|KEGG:C06394|KNApSAcK:C00007636|LIPID_MAPS_instance:LMPR0103330001|MetaCyc:CPD-1722 phenio.json (+)-delta-Cadinene|(1S,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,3,5,6,8a-hexahydronaphthalene|(1S,8aR)-delta-cadinene|cadina-1(10),4-diene|delta-amorphene|delta-cadinene http://purl.obolibrary.org/obo/CHEBI_15385 3_STAR
CHEBI:15386 biolink:ChemicalSubstance (3S,4R)-3,4-dihydrophenanthrene-3,4-diol Beilstein:1912842|Beilstein:5264943|KEGG:C04468 phenio.json (+)-cis-3,4-Dihydrophenanthrene-3,4-diol|(+)-cis-3,4-dihydrophenanthrene-3,4-diol|(3S,4R)-3,4-dihydrophenanthrene-3,4-diol|cis-3,4-Dihydroxy-3,4-dihydrophenanthrene http://purl.obolibrary.org/obo/CHEBI_15386 3_STAR
CHEBI:15387 biolink:ChemicalSubstance (+)-cis-sabinol CAS:471-16-9|KEGG:C02213|KNApSAcK:C00000831 phenio.json (+)-cis-Sabinol|(+)-cis-sabinol|(1S,3R,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol|(1S,3R,5S)-sabinol|Sabinol http://purl.obolibrary.org/obo/CHEBI_15387 3_STAR
CHEBI:15388 biolink:ChemicalSubstance (+)-trans-carveol Beilstein:2206717|KEGG:C11409 phenio.json (+)-trans-Carveol|(1R,5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol|(1R,5S)-carveol|(4S,6R)-trans-Carveol http://purl.obolibrary.org/obo/CHEBI_15388 3_STAR
CHEBI:15389 biolink:ChemicalSubstance (-)-trans-carveol Beilstein:2206715|CAS:2102-58-1|KEGG:C00964|KNApSAcK:C00000814|LIPID_MAPS_instance:LMPR0102090005|UM-BBD_compID:c0628 phenio.json (-)-(4R,6S)-trans-carveol|(-)-trans-Carveol|(1S,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol|(1S,5R)-carveol|(4R,6S)-p-mentha-1,8-dien-6-ol http://purl.obolibrary.org/obo/CHEBI_15389 3_STAR
CHEBI:15390 biolink:ChemicalSubstance (+)-bisdechlorogeodin CAS:59092-96-5|KEGG:C03036 phenio.json (+)-Bisdechlorogeodin|(2S)-bisdechlorogeodin|methyl (2S)-4-hydroxy-6-methyl-4'-oxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate http://purl.obolibrary.org/obo/CHEBI_15390 3_STAR
CHEBI:15391 biolink:ChemicalSubstance (-)-bisdechlorogeodin CAS:59187-35-8|KEGG:C03040 phenio.json (-)-Bisdechlorogeodin|(2R)-bisdechlorogeodin|methyl (2R)-4-hydroxy-6-methyl-4'-oxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate http://purl.obolibrary.org/obo/CHEBI_15391 3_STAR
CHEBI:15392 biolink:ChemicalSubstance (1R)-bornane-2,5-dione Beilstein:3196616|KEGG:C03037 phenio.json (+)-Bornane-2,5-dione|(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-dione|(1R,4R)-bornane-2,5-dione|2,5-Diketocamphane http://purl.obolibrary.org/obo/CHEBI_15392 3_STAR
CHEBI:15393 biolink:ChemicalSubstance (+)-borneol Beilstein:2038056|CAS:464-43-7|KEGG:C01765|KNApSAcK:C00011023 phenio.json (+)-Borneol|(1R,2S,4R)-(+)-Borneol|(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol|(1R,2S,4R)-borneol|(1R-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol|Borneocamphor|D-borneol|Sumatra camphor|d-Borneol|d-borneol|endo-2-Bornanol http://purl.obolibrary.org/obo/CHEBI_15393 3_STAR
CHEBI:15394 biolink:ChemicalSubstance (-)-borneol Beilstein:2038053|Beilstein:3587558|CAS:464-45-9|KEGG:C01766|KNApSAcK:C00011024 phenio.json (-)-Borneol|(1S,2R,4S)-(-)-Borneol|(1S,2R,4S)-(-)-borneol|(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol|(1S,2R,4S)-borneol|(1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol|L-Borneol|L-borneol|Linderol|l-borneol http://purl.obolibrary.org/obo/CHEBI_15394 3_STAR
CHEBI:15395 biolink:ChemicalSubstance (+)-bornyl diphosphate A monoterpenyl phosphate that is the O-diphospho derivative of (+)-borneol. KEGG:C03190|LIPID_MAPS_instance:LMPR0102120009|PDBeChem:BP2|PMID:3759972|PMID:3997807|PMID:4084562 phenio.json (+)-Bornyl diphosphate|(+)-Bornyl-diphosphate|(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl trihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_15395 3_STAR
CHEBI:15396 biolink:ChemicalSubstance (R)-camphor The (R)- enantiomer of camphor. CAS:464-49-3|CAS:76-22-2|Gmelin:83276|HMDB:HMDB0059838|KEGG:C00808|KEGG:D06392|KNApSAcK:C00000819|MetaCyc:CPD-862|PDBeChem:CAM|PMID:12231778|PMID:24288289|Reaxys:2042745|UM-BBD_compID:c0407 phenio.json (+)-Camphor|(+)-bornan-2-one|(1R)-(+)-camphor|(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one|(1R,4R)-camphor|(R)-(+)-camphor|(R)-camphor|CAMPHOR|Camphor(D)|D-Camphor http://purl.obolibrary.org/obo/CHEBI_15396 3_STAR
CHEBI:15397 biolink:ChemicalSubstance (S)-camphor The S-enantiomer of camphor. Beilstein:4291747|CAS:464-48-2|Gmelin:874917|KEGG:C00809|Reaxys:1907612 phenio.json (-)-Camphor|(-)-bornan-2-one|(-)-camphor|(1S)-(-)-camphor|(1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one|(1S,4S)-camphor|l-camphor http://purl.obolibrary.org/obo/CHEBI_15397 3_STAR
CHEBI:15398 biolink:ChemicalSubstance (+)-exo-5-hydroxycamphor Beilstein:2044882|DrugBank:DB02817|KEGG:C03448|LIPID_MAPS_instance:LMPR0102120010|PDBeChem:CAH|UM-BBD_compID:c0408 phenio.json (+)-exo-5-Hydroxycamphor|(1R,4R,5R)-5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one|(1R,4R,5R)-5-hydroxycamphor|5-EXO-HYDROXYCAMPHOR http://purl.obolibrary.org/obo/CHEBI_15398 3_STAR
CHEBI:15399 biolink:ChemicalSubstance (+)-carvone A carvone having (S) configuration. Beilstein:3588498|Beilstein:6767373|CAS:2244-16-8|Gmelin:637294|KEGG:C11383|KNApSAcK:C00010891|PMID:11380545|Reaxys:2042970 phenio.json (+)-(4S)-carvone|(+)-(S)-Carvone|(+)-Carvone|(4S)-p-mentha-1(6),8-dien-2-one|(5S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(S)-(+)-carvone|(S)-(+)-p-mentha-6,8-dien-2-one|(S)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(S)-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one|(S)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(S)-carvone|Carvol|Carvone|d-(+)-carvone|d-carvone http://purl.obolibrary.org/obo/CHEBI_15399 3_STAR
CHEBI:15400 biolink:ChemicalSubstance (-)-carvone A carvone having (R) configuration. Beilstein:3588497|CAS:6485-40-1|Gmelin:83213|KEGG:C01767|KNApSAcK:C00000807|LIPID_MAPS_instance:LMPR0102090007|PMID:11380545|PPDB:125|Reaxys:2206714|UM-BBD_compID:c0627 phenio.json (-)-(4R)-carvone|(-)-(R)-carvone|(-)-Carvone|(-)-p-mentha-6,8-dien-2-one|(4R)-Carvone|(4R)-p-mentha-1(6),8-dien-2-one|(5R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(5R)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|(R)-(-)-carvone|(R)-2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|(R)-5-isopropenyl-2-methylcyclohex-2-en-1-one|(R)-carvone|l-1-methyl-4-isopropenyl-6-cyclohexen-2-one|l-carvone|l-p-mentha-1(6),8-dien-2-one|levo-carvone http://purl.obolibrary.org/obo/CHEBI_15400 3_STAR
CHEBI:15401 biolink:ChemicalSubstance (+)-dihydrokaempferol A tetrahydroxyflavanone having hydroxy groupa at the 3-, 4'-, 5- and 7-positions. CAS:480-20-6|KEGG:C00974|KNApSAcK:C00007234 phenio.json (+)-Aromadendrin|(+)-Dihydrokaempferol|(+)-aromadendrin|(2R,3R)-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one|(2R,3R)-dihydrokaempferol|Aromadendrin|Dihydrokaempferol http://purl.obolibrary.org/obo/CHEBI_15401 3_STAR
CHEBI:15402 biolink:ChemicalSubstance (+)-neomenthol CAS:2216-52-6|KEGG:C00553|KNApSAcK:C00000825|LIPID_MAPS_instance:LMPR0102090003 phenio.json (+)-Neomenthol|(+)-neomenthol|(1S,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol http://purl.obolibrary.org/obo/CHEBI_15402 3_STAR
CHEBI:15403 biolink:ChemicalSubstance (+)-sabinone KEGG:C01868|KNApSAcK:C00000828 phenio.json (+)-Sabinone|(1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one|(1S,5S)-sabinone http://purl.obolibrary.org/obo/CHEBI_15403 3_STAR
CHEBI:15404 biolink:ChemicalSubstance (-)-homoisocitrate(3-) KEGG:C05662 phenio.json (-)-1-Hydroxy-1,2,4-butanetricarboxylate|(1R,2S)-1-Hydroxybutane-1,2,4-tricarboxylate|(1R,2S)-1-hydroxybutane-1,2,4-tricarboxylate|(2R,3S)-homoisocitrate http://purl.obolibrary.org/obo/CHEBI_15404 3_STAR
CHEBI:15405 biolink:ChemicalSubstance (-)-endo-fenchol A fenchane monoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 3 and 3 and a hydroxy group at position 2 (the 1S,2S,4R stereoisomer). Beilstein:3648192|CAS:1632-73-1|CAS:512-13-0|Gmelin:2094057|HMDB:HMDB0034932|KEGG:C02344|KNApSAcK:C00035801|LIPID_MAPS_instance:LMPR0102120005|MetaCyc:CPD-685|PMID:20334144|PMID:22455514|Reaxys:2038083 phenio.json (-)-endo-Fenchol|(1S,2-endo)-1,3,3-trimethylnorbornan-2-ol|(1S,2S,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol|(1S,2S,4R)-endo-fenchol|1,3,3-trimethyl-2-norbornanol|2-Fenchanol|Fenchyl alcohol|alpha-fenchol|alpha-fenchyl alcohol|endo-alpha-fenchol|endo-fenchol http://purl.obolibrary.org/obo/CHEBI_15405 3_STAR
CHEBI:15406 biolink:ChemicalSubstance (-)-trans-isopiperitenol Beilstein:2554977|KEGG:C01123|KNApSAcK:C00000815|LIPID_MAPS_instance:LMPR0102090006|UM-BBD_compID:c0670 phenio.json (-)-trans-Isopiperitenol|(-)-trans-isopiperitenol|(1S,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol|(1S,6R)-isopiperitenol|(1S,6R)-p-mentha-1,8-dien-3-ol|3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-ol http://purl.obolibrary.org/obo/CHEBI_15406 3_STAR
CHEBI:15407 biolink:ChemicalSubstance (-)-ephedrine A phenethylamine alkaloid that is 2-phenylethanamine substituted by a methyl group at the amino nitrogen and a methyl and a hydroxy group at position 2 and 1 respectively. CAS:299-42-3|Chemspider:4856|DrugBank:DB01364|Drug_Central:1024|Gmelin:261389|KEGG:C01575|KEGG:D00124|KNApSAcK:C00001409|PMID:13359219|PMID:13809594|PMID:21465337|PMID:25660335|PMID:27662264|PMID:27846433|Reaxys:2208730|VSDB:2959|Wikipedia:Ephedrine phenio.json (-)-Ephedrine|(1R,2S)-1-phenyl-1-hydroxy-2-methylaminopropane|(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol|Ephedrine|L(-)-ephedrine|L-Ephedrine|L-erythro-2-(methylamino)-1-phenylpropan-1-ol|l-ephedrine http://purl.obolibrary.org/obo/CHEBI_15407 3_STAR
CHEBI:15408 biolink:ChemicalSubstance (-)-isopiperitenone Beilstein:5849572|CAS:80995-97-7|KEGG:C02485|KNApSAcK:C00000809|LIPID_MAPS_instance:LMPR01020030|LIPID_MAPS_instance:LMPR0102090009|UM-BBD_compID:c0671 phenio.json (-)-(4R)-Isopiperitenone|(-)-Isopiperitenone|(-)-isopiperitenone|(4R)-p-mentha-1,8-dien-3-one|(6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-one|(6R)-isopiperitenone http://purl.obolibrary.org/obo/CHEBI_15408 3_STAR
CHEBI:15409 biolink:ChemicalSubstance (-)-menthol A p-menthan-3-ol which has (1R,2S,5R)-stereochemistry. It is the most common naturally occurring enantiomer. CAS:2216-51-5|DrugBank:DB00825|Drug_Central:934|HMDB:HMDB0003352|KEGG:C00400|KEGG:D00064|KNApSAcK:C00000810|LIPID_MAPS_instance:LMPR0102090001|MetaCyc:--MENTHOL|PMID:17021997|PMID:17498839|PMID:18640225|PMID:21353674|PMID:22218824|PMID:22348831|PMID:23800946|PMID:23963768|PMID:7974298|Patent:CN101602651|Patent:US2011313205|Reaxys:1902293|Wikipedia:Menthol phenio.json (-)-(1R,3R,4S)-menthol|(-)-Menthol|(-)-menthol|(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol|(1R,3R,4S)-(-)-menthol|(1R-(1-alpha,2-beta,5-alpha))-5-methyl-2-(1-methylethyl)cyclohexanol|(1alpha,2beta,5alpha)-5-methyl-2(1-methylethyl)cyclohexanol|L-Menthol|l-menthol|levomenthol|levomentholum|levomentol http://purl.obolibrary.org/obo/CHEBI_15409 3_STAR
CHEBI:15410 biolink:ChemicalSubstance (-)-menthone A menthone that is cyclohexanone substituted by a methyl and an isopropyl group at positions 5 and 2 respectively (the 2S,5R-stereoisomer). Beilstein:2041368|Beilstein:3648743|Beilstein:3648744|CAS:14073-97-3|KEGG:C00843|KNApSAcK:C00000811|LIPID_MAPS_instance:LMPR0102090004 phenio.json (-)-Menthone|(1R,4S)-menthone|(1R,4S)-p-menthan-3-one|(2S,5R)-2-isopropyl-5-methylcyclohexanone|(2S,5R)-5-methyl-2-(1-methylethyl)cyclohexanone|(2S,5R)-5-methyl-2-(propan-2-yl)cyclohexanone|(2S-trans)-5-methyl-2-(1-methylethyl)cyclohexanone|l-Menthone|l-menthone|p-Menthan-3-one http://purl.obolibrary.org/obo/CHEBI_15410 3_STAR
CHEBI:15411 biolink:ChemicalSubstance (-)-menthyl beta-D-glucoside KEGG:C03962 phenio.json (-)-Menthyl O-beta-D-glucoside|(-)-menthyl O-beta-D-glucoside|(-)-menthyl O-beta-glucopyranoside|(-)-menthyl beta-D-glucoside|(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_15411 3_STAR
CHEBI:15412 biolink:ChemicalSubstance (-)-ureidoglycolic acid The (-)-enantiomer of ureidoglycolic acid. KEGG:C00603|KNApSAcK:C00007466 phenio.json (-)-Ureidoglycolate|(2S)-(carbamoylamino)(hydroxy)acetic acid|(S)-Ureidoglycolate http://purl.obolibrary.org/obo/CHEBI_15412 3_STAR
CHEBI:15413 biolink:ChemicalSubstance 2',4,4',6'-tetrahydroxychalcone A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 2' ,4, 4', and 6' respectively. CAS:73692-50-9|KEGG:C06561|KNApSAcK:C00007233|LIPID_MAPS_instance:LMPK12120264|PMID:15322354|PMID:17915259|PMID:20035147|PMID:20363289|PMID:20815398|Reaxys:2335724 phenio.json (2E)-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)prop-2-en-1-one|2',4',6',4-tetrahydroxychalcone|2',4,4',6'-Tetrahydroxychalcone|2',4,4',6'-tetrahydroxychalcone|2'4'6'4-Tetrahydroxychalcone|Chalconaringenin|Isosalipurpol|Naringenin chalcone http://purl.obolibrary.org/obo/CHEBI_15413 3_STAR
CHEBI:15414 biolink:ChemicalSubstance S-adenosyl-L-methionine A sulfonium compound that is the S-adenosyl derivative of L-methionine. It is an intermediate in the metabolic pathway of methionine. Beilstein:3576439|CAS:29908-03-0|COMe:MOL000172|DrugBank:DB00118|HMDB:HMDB0001185|KEGG:C00019|KNApSAcK:C00007347|MetaCyc:S-ADENOSYLMETHIONINE|PMID:11017945|PMID:17439666|Reaxys:3919754|Wikipedia:S-Adenosyl_methionine phenio.json (3S)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, inner salt|Acylcarnitine|AdoMet|S-(5'-deoxyadenosin-5'-yl)-L-methionine|S-Adenosyl-L-methionine|S-Adenosylmethionine|S-adenosyl-L-methionine|S-adenosylmethionine|SAM|SAMe|[(3S)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium|[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-amino-3-carboxypropyl](methyl)sulfonium http://purl.obolibrary.org/obo/CHEBI_15414 3_STAR
CHEBI:15415 biolink:ChemicalSubstance ent-kaurene A tetracyclic diterpene consisting of ent-kaurane, where the 6-methyl group is replaced by methylene. CAS:562-28-7|KEGG:C06090|KNApSAcK:C00007253|LIPID_MAPS_instance:LMPR0104130002|PMID:16714024|PMID:21122070|PMID:21228464|Reaxys:2050704 phenio.json (5beta,8alpha,9beta,10alpha,13alpha)-kaur-16-ene|ent-Kaur-16-ene|ent-Kaurene|ent-kaur-16-ene http://purl.obolibrary.org/obo/CHEBI_15415 3_STAR
CHEBI:15417 biolink:ChemicalSubstance ent-kaur-16-en-19-oic acid An ent-kaurane diterpenoid that is ent-kauran-19-oic acid in which a double bond is present at position 16(17); exhibits anticancer and anti-HIV 1 activity. CAS:6730-83-2|KEGG:C11874|KNApSAcK:C00000881|LIPID_MAPS_instance:LMPR0104130004|MetaCyc:CPD1F-132|PMID:20013639|PMID:20496227|PMID:20552528|PMID:21823454|PMID:21884778|PMID:22832886|PMID:23314342|Reaxys:10784819 phenio.json (-)-Kaur-16-en-19-oic acid|(5beta,8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid|Kaur-16-en-18-oic acid|Kauren-19-oic acid|Kaurenic acid|Kaurenoic acid|ent-Kaur-16(17)-en-19-oic acid|ent-Kaurenoic acid|ent-kaur-16-en-19-oic acid http://purl.obolibrary.org/obo/CHEBI_15417 3_STAR
CHEBI:15420 biolink:ChemicalSubstance perillyl alcohol A limonene monoterpenoid consists of a cyclohexene ring substituted by a hydroxymethyl and a prop-1-en-2-yl group at positions 1 and 4 respectively. It is a constituent of a variety of essential oils including lavender. CAS:536-59-4|HMDB:HMDB0003634|MetaCyc:Perillyl-Alcohols|PMID:10379660|PMID:11840288|PMID:15210838|PMID:23727191|Reaxys:2044612 phenio.json 1-Hydroxymethyl-4-isopropenyl-1-cyclohexene|1-perillalcohol|4-(1-Methylethenyl)-1-cyclohexene-1-methanol|4-Isopropenyl-1-cyclohexene carbinol|4-Isopropenylcyclohex-1-en-1-ylmethanol|Isocarveol|Perilla alcohol|Perillol|[4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methanol|dihydrocuminyl alcoholn|p-Mentha-1,8-dien-7-ol|perillyl alcohol http://purl.obolibrary.org/obo/CHEBI_15420 3_STAR
CHEBI:15421 biolink:ChemicalSubstance perillyl aldehyde An aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4. CAS:2111-75-3|KEGG:C02576|KNApSAcK:C00003050|LIPID_MAPS_instance:LMPR0102090010|PMID:23413567|UM-BBD_compID:c0666 phenio.json 4-(1-methylethenyl)-1-cyclohexene1-carboxyaldehyde|4-(prop-1-en-2-yl)cyclohex-1-ene-1-carbaldehyde|Perillaldehyde|Perillyl aldehyde|p-mentha-1,8-dien-7-al|perillal|perillic aldehyde|perillyl aldehyde|perillylaldehyde http://purl.obolibrary.org/obo/CHEBI_15421 3_STAR
CHEBI:15422 biolink:ChemicalSubstance ATP An adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways. CAS:56-65-5|DrugBank:DB00171|Drug_Central:91|Gmelin:34857|HMDB:HMDB0000538|KEGG:C00002|KEGG:D08646|KNApSAcK:C00001491|PDBeChem:ATP|Patent:US3079379|Reaxys:73010|Wikipedia:Adenosine_triphosphate phenio.json ADENOSINE-5'-TRIPHOSPHATE|ATP|Adenosine 5'-triphosphate|Adenosine triphosphate|H4atp|adenosine 5'-(tetrahydrogen triphosphate) http://purl.obolibrary.org/obo/CHEBI_15422 3_STAR
CHEBI:15425 biolink:ChemicalSubstance proclavaminic acid CAS:112240-59-2|KEGG:C06658|PDBeChem:PCV|Reaxys:3651348 phenio.json (2S,3R)-5-amino-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoic acid|5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID|5-amino-2,4,5-trideoxy-2-(2-oxo-1-azetidinyl)-D-threo-pentonic acid|5-amino-2,4,5-trideoxy-2-(2-oxoazetidin-1-yl)-D-threo-pentonic acid|Proclavaminate|Proclavaminic acid http://purl.obolibrary.org/obo/CHEBI_15425 3_STAR
CHEBI:15426 biolink:ChemicalSubstance deoxyamidinoproclavaminic acid Beilstein:6145950|DrugBank:DB02475|KEGG:C06656|PDBeChem:PCX phenio.json (2S)-5-carbamimidamido-2-(2-oxoazetidin-1-yl)pentanoic acid|DEOXYGUANIDINOPROCLAVAMINIC ACID|Deoxyamidinoproclavaminate|Deoxyguanidinoproclavaminate|Deoxyguanidinoproclavaminic acid http://purl.obolibrary.org/obo/CHEBI_15426 3_STAR
CHEBI:15427 biolink:ChemicalSubstance N(2)-(2-carboxyethyl)-L-arginine DrugBank:DB04189|KEGG:C06655|PDBeChem:CMA|PMID:11473258|PMID:14623876 phenio.json L-N2-(2-Carboxyethyl)arginine|N(2)-(2-carboxyethyl)-L-arginine|N2-(2-Carboxyethyl)-L-arginine|N2-(2-carboxyethyl)arginine http://purl.obolibrary.org/obo/CHEBI_15427 3_STAR
CHEBI:15428 biolink:ChemicalSubstance glycine The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. CAS:56-40-6|DrugBank:DB00145|Drug_Central:1319|ECMDB:ECMDB00123|Gmelin:1808|HMDB:HMDB0000123|KEGG:C00037|KEGG:D00011|KNApSAcK:C00001361|MetaCyc:GLY|PDBeChem:GLY|PMID:10930630|PMID:11019925|PMID:11174716|PMID:11542461|PMID:11806864|PMID:12631515|PMID:12754315|PMID:12770151|PMID:12921899|PMID:15331688|PMID:15388434|PMID:15710237|PMID:16105183|PMID:16151895|PMID:16214212|PMID:16417482|PMID:16444815|PMID:16664855|PMID:16901953|PMID:16918424|PMID:16986325|PMID:16998855|PMID:17154252|PMID:17383967|PMID:17582620|PMID:17970719|PMID:18079355|PMID:18396796|PMID:18440992|PMID:18593588|PMID:18816054|PMID:18840508|PMID:19028609|PMID:19120667|PMID:19449910|PMID:19526731|PMID:19544666|PMID:19738917|PMID:19916621|PMID:19924257|PMID:21751272|PMID:22044190|PMID:22079563|PMID:22234938|PMID:22264337|PMID:22293292|PMID:22401276|PMID:22434786|Reaxys:635782|Wikipedia:Glycine|YMDB:YMDB00016 phenio.json Aminoacetic acid|Aminoessigsaeure|G|GLYCINE|Gly|Glycin|Glycine|Glycocoll|Glykokoll|Glyzin|H2N-CH2-COOH|Hgly|Leimzucker|aminoacetic acid|aminoethanoic acid|glycine http://purl.obolibrary.org/obo/CHEBI_15428 3_STAR
CHEBI:15429 biolink:ChemicalSubstance hydroxylamine The simplest hydroxylamine, consisting of ammonia bearing a hydroxy substituent. It is an intermediate in the biological nitrification by microbes like bacteria. CAS:7803-49-8|Gmelin:478|HMDB:HMDB0003338|KEGG:C00192|MetaCyc:HYDROXYLAMINE|PDBeChem:HOA|PMID:11053303|PMID:11160411|PMID:11226629|PMID:11750265|PMID:12962703|PMID:17385063|PMID:18399918|PMID:18515490|PMID:21185448|Reaxys:3587190|Wikipedia:Hydroxylamine phenio.json H2NHO|HYDROXYAMINE|Hydroxylamin|Hydroxylamine|[NH2OH]|dihydridohydroxidonitrogen|hydroxylamine|oxyammonia http://purl.obolibrary.org/obo/CHEBI_15429 3_STAR
CHEBI:15430 biolink:ChemicalSubstance protoporphyrin A cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl substituents at positions 2 and 18. The parent of the class of protoporphyrins. Beilstein:635160|Beilstein:635161|CAS:553-12-8|DrugBank:DB02285|Drug_Central:3500|Gmelin:251232|HMDB:HMDB0000241|KEGG:C02191|KNApSAcK:C00007370|MetaCyc:PROTOPORPHYRIN_IX|PDBeChem:PP9|PMID:18625294|PMID:19005892|PMID:20961864|PMID:21146529|PMID:21167148|PMID:21668870|PMID:21760730|PMID:21913427|PMID:23533060|Reaxys:380795|Wikipedia:Protoporphyrin_IX phenio.json 3,3'-(3,7,12,17-tetramethyl-8,13-divinyl-21H,23H-porphine-2,18-diyl)-bis-propionic acid|3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoic acid|7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoic acid|H2ppIX|Kammerer's prophyrin|PROTOPORPHYRIN IX|Porphyrinogen IX|Protoporphyrin|Protoporphyrin IX|ooporphyrin http://purl.obolibrary.org/obo/CHEBI_15430 3_STAR
CHEBI:15431 biolink:ChemicalSubstance magnesium protoporphyrin Beilstein:6365239|CAS:14947-11-6|KEGG:C03516|KNApSAcK:C00007369|PDBeChem:HEG phenio.json (7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoato)magnesium(II)|(protoporphyrinato)magnesium(II)|Magnesium protoporphyrin|Magnesium protoporphyrin IX|Mg(ppIX)|Mg-protoporphyrin IX|PROTOPORPHYRIN IX CONTAINING MG|[Mg(ppIX)] http://purl.obolibrary.org/obo/CHEBI_15431 3_STAR
CHEBI:15432 biolink:ChemicalSubstance magnesium protoporphyrin 13-monomethyl ester KEGG:C04536|KNApSAcK:C00007372 phenio.json Magnesium protoporphyrin IX 13-methyl ester|Magnesium protoporphyrin monomethyl ester|Magnesium-protoporphyrin IX 13-monomethyl ester|Mg-Protoporphyrin IX 13-monomethyl ester|[7,12-diethenyl-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-2-propanoato]magnesium(II) http://purl.obolibrary.org/obo/CHEBI_15432 3_STAR
CHEBI:15435 biolink:ChemicalSubstance protoporphyrinogen Beilstein:1201533|CAS:7412-77-3|KEGG:C01079|KNApSAcK:C00007371 phenio.json 7,12-diethenyl-3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,18-dipropanoic acid|Protoporphyrinogen IX http://purl.obolibrary.org/obo/CHEBI_15435 3_STAR
CHEBI:15437 biolink:ChemicalSubstance uroporphyrinogen III Beilstein:605190|CAS:1976-85-8|Gmelin:1166130|KEGG:C01051|KNApSAcK:C00007373 phenio.json 3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid|3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydro-21H,23H-porphine-2,7,12,18-tetrapropanoic acid|3,8,13,17-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionic acid|Uroporphyrinogen III|uro'gen III http://purl.obolibrary.org/obo/CHEBI_15437 3_STAR
CHEBI:15438 biolink:ChemicalSubstance coproporphyrinogen KEGG:C02667 phenio.json Coproporphyrinogen|coproporphyrinogens http://purl.obolibrary.org/obo/CHEBI_15438 3_STAR
CHEBI:15439 biolink:ChemicalSubstance coproporphyrinogen III Beilstein:1208502|CAS:2624-63-7|KEGG:C03263|KNApSAcK:C00007284|PDBeChem:CP3 phenio.json 3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropanoic acid|3,8,13,17-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,18-tetrapropionic acid|5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic acid|COPROPORPHYRIN III|Coproporphyrinogen III http://purl.obolibrary.org/obo/CHEBI_15439 3_STAR
CHEBI:15440 biolink:ChemicalSubstance squalene A triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration. Beilstein:1728920|CAS:111-02-4|HMDB:HMDB0000256|KEGG:C00751|KNApSAcK:C00003755|LIPID_MAPS_instance:LMPR0106010002|MetaCyc:SQUALENE|PDBeChem:SQL|PMID:16341241|PMID:23625688|PMID:24362891|PMID:25286851|PMID:25286853|PMID:25987292|Wikipedia:Squalene phenio.json (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene|(all-E)-2,6,10,15,19,23-hexamethyl-2,6,10,14,18,22-tetracosahexaene|Spinacene|Squalene|Supraene|squalene http://purl.obolibrary.org/obo/CHEBI_15440 3_STAR
CHEBI:15441 biolink:ChemicalSubstance (S)-2,3-epoxysqualene A 2,3-epoxysqualene in which the chiral centre has S configuration. It is converted into lanosterol by lanosterol synthase (EC 5.4.99.7) in a key rate-limiting step in the biosynthesis of chloesterol, steroid hormones, and vitamin D. HMDB:HMDB0001188|HMDB:HMDB0059621|KEGG:C01054|KNApSAcK:C00007282|LIPID_MAPS_instance:LMPR0106010010|MetaCyc:EPOXYSQUALENE|PDBeChem:2TX|PMID:19951700|PMID:26058429|Reaxys:4710524 phenio.json (3S)-2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaen-1-yl]oxirane|(3S)-2,3-dihydro-2,3-epoxysqualene|(3S)-2,3-epoxy-2,3-dihydrosqualene|(S)-2,3-Epoxysqualene|(S)-2,3-dihydro-2,3-epoxysqualene|(S)-2,3-epoxy-2,3-dihydrosqualene|(S)-2,3-epoxysqualene|(S)-2,3-oxidosqualene|(S)-Squalene-2,3-epoxide|(S)-squalene-2,3-epoxide|2,3-EDSQ|2,3-epoxisqualene|2,3-oxidosqualene|Squalene 2,3-epoxide|Squalene 2,3-oxide|oxidosqualene http://purl.obolibrary.org/obo/CHEBI_15441 3_STAR
CHEBI:15442 biolink:ChemicalSubstance presqualene diphosphate A triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a diphosphate group. KEGG:C03428 phenio.json Presqualene diphosphate|[(1S,2S,3S)-2-[(E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropan-1-yl]methyl diphosphate|{(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(2E,6E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropan-1-yl}methyl trihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_15442 3_STAR
CHEBI:15443 biolink:ChemicalSubstance inulin CAS:9005-80-5|DrugBank:DB00638|KEGG:C03323|KEGG:D00171|KEGG:G10497 phenio.json (1,2-beta-D-Fructosyl)n|(1,2-beta-D-fructosyl)n|(2,1-beta-D-Fructosyl)n|(2,1-beta-D-fructosyl)n|(2->1)-beta-D-fructofuranan|Inulin http://purl.obolibrary.org/obo/CHEBI_15443 3_STAR
CHEBI:15444 biolink:ChemicalSubstance (1->4)-alpha-D-glucan phenio.json (1,4-alpha-D-Glucosyl)n|(1,4-alpha-D-Glucosyl)n+1|(1,4-alpha-D-Glucosyl)n-1|(1,4-alpha-D-glucosyl)n|(1,4-alpha-D-glucosyl)n+1|(1,4-alpha-D-glucosyl)n-1|1,4-alpha-D-Glucan|1,4-alpha-D-glucan|4-{(1,4)-alpha-D-Glucosyl}(n-1)-D-glucose|4-{(1,4)-alpha-D-glucosyl}(n-1)-D-glucose http://purl.obolibrary.org/obo/CHEBI_15444 3_STAR
CHEBI:15446 biolink:ChemicalSubstance [(1->4)-alpha-D-galacturonosyl]n KEGG:C00470|KEGG:G10506 phenio.json (1,4-alpha-D-Galacturonosyl)n|(1,4-alpha-D-Galacturonosyl)n+1|(1,4-alpha-D-galacturonosyl)n http://purl.obolibrary.org/obo/CHEBI_15446 3_STAR
CHEBI:15447 biolink:ChemicalSubstance (1->4)-beta-D-xylan A xylan compound with beta-(1->4)-linkages between each xylose. CAS:9014-63-5|KEGG:C02352|KEGG:C06016 phenio.json (1,4-beta-D-Xylan)n|(1,4-beta-D-xylan)n|(1->4)-beta-D-xylopyranan|1,4-beta-D-Xylan|1,4beta-D-xylan|pentosan http://purl.obolibrary.org/obo/CHEBI_15447 3_STAR
CHEBI:15448 biolink:ChemicalSubstance (1-hydroxycyclohexyl)acetyl-CoA A 3-hydroxyacyl-CoA having (1-hydroxycyclohexyl)acetyl as the S-acyl group. KEGG:C04316 phenio.json (1-Hydroxycyclohexan-1-yl)acetyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(1-hydroxycyclohexyl)acetyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15448 3_STAR
CHEBI:15449 biolink:ChemicalSubstance (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA An (S)-3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2S,3S)-3-hydroxy-2-methylbutanoic acid. KEGG:C04405|PMID:23351063 phenio.json (2S,3S)-3-Hydroxy-2-methylbutanoyl-CoA|(2S,3S)-3-hydroxy-2-methylbutanoyl-coenzyme A|(S)-3-Hydroxy-2-methylbutyryl-CoA|(S,S)-3-hydroxy-2-methylbutanoyl-coenzyme A|(S,S)-3-hydroxy-2-methylbutyryl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S,3S)-3-hydroxy-2-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15449 3_STAR
CHEBI:15450 biolink:ChemicalSubstance (2R)-2-methylacyl-CoA KEGG:C05329 phenio.json (2R)-2-Methylacyl-CoA|(2R)-2-methylacyl-CoAs http://purl.obolibrary.org/obo/CHEBI_15450 3_STAR
CHEBI:15451 biolink:ChemicalSubstance (2S)-2-methylacyl-CoA KEGG:C05232 phenio.json (2S)-2-Methylacyl-CoA|(2S)-2-methylacyl-CoAs http://purl.obolibrary.org/obo/CHEBI_15451 3_STAR
CHEBI:15452 biolink:ChemicalSubstance (R)-3-hydroxybutanoyl-CoA The (R)-enantiomer of 3-hydroxybutanoyl-CoA. KEGG:C03561 phenio.json (3R)-3-Hydroxybutanoyl-CoA|(R)-3-Hydroxybutanoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15452 3_STAR
CHEBI:15453 biolink:ChemicalSubstance (S)-3-hydroxybutanoyl-CoA KEGG:C01144|UM-BBD_compID:c0030 phenio.json (3S)-3-hydroxybutanoyl-CoA|(S)-3-Hydroxybutanoyl-CoA|(S)-3-Hydroxybutyryl-CoA|(S)-3-hydroxybutyroyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|L(+)-3-hydroxybutyroyl-CoA|L(+)-beta-hydroxybutyroyl-CoA|L-3-hydroxybutanoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15453 3_STAR
CHEBI:15454 biolink:ChemicalSubstance (3S)-3-carboxy-3-hydroxypropanoyl-CoA A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the 3-carboxy group of (3S)-3-carboxy-3-hydroxypropanoic acid. KEGG:C04348|PMID:11418572|PMID:18083850|PMID:20047909|PMID:6381479|PMID:8354269 phenio.json (3S)-3-Carboxy-3-hydroxypropanoyl-CoA|(3S)-3-Carboxy-3-hydroxypropionyl-CoA|(3S)-3-carboxy-3-hydroxypropanoyl-coenzyme A|(3S)-3-carboxy-3-hydroxypropionyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3-carboxy-3-hydroxypropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|L-Malyl-CoA|Malyl-CoA http://purl.obolibrary.org/obo/CHEBI_15454 3_STAR
CHEBI:15455 biolink:ChemicalSubstance (S)-3-hydroxyacyl-CoA KEGG:C00640 phenio.json (3S)-3-Hydroxyacyl-CoA|(3S)-3-hydroxyacyl-CoAs|(S)-3-Hydroxyacyl-CoA http://purl.obolibrary.org/obo/CHEBI_15455 3_STAR
CHEBI:15456 biolink:ChemicalSubstance (R)-3-hydroxyacyl-CoA KEGG:C01086 phenio.json (3R)-3-Hydroxyacyl-CoA|(R)-3-Hydroxyacyl-CoA http://purl.obolibrary.org/obo/CHEBI_15456 3_STAR
CHEBI:15457 biolink:ChemicalSubstance citramalyl-CoA An acyl-CoA having citramalyl as the S-acyl group. KEGG:C00904 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxy-3-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Citramalyl-CoA http://purl.obolibrary.org/obo/CHEBI_15457 3_STAR
CHEBI:15459 biolink:ChemicalSubstance (3S)-citryl-CoA An (S)-3-hydroxyacyl-CoA having (3S)-citryl as the S-acyl group KEGG:C00566|LIPID_MAPS_instance:LMFA07050120|PMID:6812626|PMID:6838572|PMID:6861748|PMID:7227518 phenio.json (3S)-Citryl-CoA|(3S)-citryl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15459 3_STAR
CHEBI:15463 biolink:ChemicalSubstance cinnamoyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cinnamic acid. KEGG:C00540|KNApSAcK:C00007263|PMID:11851410|PMID:1426272|PMID:15870094|PMID:8136368|Reaxys:18909906 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-phenylprop-2-enoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3-phenylacryloyl-CoA|3-phenylacryloyl-coenzyme A|3-phenylprop-2-enoyl-coenzyme A|Cinnamoyl-CoA|benzylideneacetyl-CoA|benzylideneacetyl-coenzyme A|beta-phenylacryloyl-CoA|beta-phenylacryloyl-coenzyme A|cinnamoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15463 3_STAR
CHEBI:15464 biolink:ChemicalSubstance (E,E)-piperonyl-CoA KEGG:C02611 phenio.json (E,E)-Piperoyl-CoA|(E,E)-piperoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,4E)-5-(2H-1,3-benzodioxol-5-yl)penta-2,4-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15464 3_STAR
CHEBI:15465 biolink:ChemicalSubstance (R)-methylmalonyl-CoA The (R)-enantiomer of methylmalonyl-CoA. DrugBank:DB04045|KEGG:C01213|PDBeChem:MCA phenio.json (R)-2-Methyl-3-oxopropanoyl-CoA|(R)-2-Methyl-3-oxopropionyl-CoA|(R)-3-Oxo-2-methylpropanoyl-CoA|(R)-Methylmalonyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2R)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}|METHYLMALONYL-COENZYME A http://purl.obolibrary.org/obo/CHEBI_15465 3_STAR
CHEBI:15466 biolink:ChemicalSubstance (S)-methylmalonyl-CoA The (S)-enantiomer of methylmalonyl-CoA. KEGG:C00683 phenio.json (S)-2-Methyl-3-oxopropanoyl-CoA|(S)-2-Methyl-3-oxopropionyl-CoA|(S)-3-oxo-2-methylpropanoyl-CoA|(S)-Methylmalonyl-CoA|(S)-Methylmalonyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2S)-2-methyl-3-oxopropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15466 3_STAR
CHEBI:15467 biolink:ChemicalSubstance (3S)-3-hydroxy-3-methylglutaryl-CoA A 3-hydroxy-3-methylglutaryl-CoA where the 3-hydroxy-3-methylglutaryl component has (S)-configuration. CAS:1553-55-5|KEGG:C00356|KNApSAcK:C00007270|PDBeChem:HMG|PMID:20640529|PMID:4052443|PMID:6135457|PMID:9160173 phenio.json (3S)-3-hydroxy-3-methylglutaryl-coenzyme A|(S)-3-Hydroxy-3-methylglutaryl-CoA|(S)-3-hydroxy-3-methylglutaryl-CoA|(S)-3-hydroxy-3-methylglutaryl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-4-carboxy-3-hydroxy-3-methylbutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-Hydroxy-3-methylglutaryl-CoA|HMG-CoA|HMG-coenzyme A|Hydroxymethylglutaroyl coenzyme A|Hydroxymethylglutaryl-CoA http://purl.obolibrary.org/obo/CHEBI_15467 3_STAR
CHEBI:15468 biolink:ChemicalSubstance 3'-dephospho-CoA An adenosine 5'-phosphate that is coenzyme A in which the phosphate group at position 3' has been replaced by a hydrogen atom. It is an intermediate metabolite in pantothenate and CoA biosynthesis. CAS:3633-59-8|DrugBank:DB03170|ECMDB:ECMDB01373|FooDB:FDB022585|HMDB:HMDB0001373|KEGG:C00882|KNApSAcK:C00007257|LIPID_MAPS_instance:LMFA07050315|PDBeChem:COD|PMID:10205156|PMID:11052675|PMID:15526298|PMID:19876400|PMID:21264299|PMID:21904046|PMID:24817720|PMID:25449315|PMID:27383794|PMID:28648615|PMID:30018019|PMID:31337720|PMID:4880|YMDB:YMDB00664 phenio.json Dephospho-CoA|Dephosphocoenzyme A|adenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}|dephospho coenzyme A http://purl.obolibrary.org/obo/CHEBI_15468 3_STAR
CHEBI:15469 biolink:ChemicalSubstance alk-2-enoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any alpha,beta-unsaturated fatty acid. KEGG:C00605 phenio.json 2,3-Dehydroacyl-CoA|2,3-dehydroacyl-CoAs|2,3-didehydroacyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(alk-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Dehydroacyl-CoA|alk-2-enoyl-CoAs http://purl.obolibrary.org/obo/CHEBI_15469 3_STAR
CHEBI:1547 biolink:ChemicalSubstance 3-hydroxykynurenine A hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3. CAS:484-78-6|HMDB:HMDB0000732|KEGG:C02794|PMID:11477208|PMID:15206726|Reaxys:2697635 phenio.json 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid|3-(2-amino-3-hydroxybenzoyl)alanine|3-(3-hydroxyanthraniloyl)alanine|3-Hydroxy-DL-kynurenine|3-Hydroxykynurenine http://purl.obolibrary.org/obo/CHEBI_1547 3_STAR
CHEBI:15470 biolink:ChemicalSubstance 2,4-dichlorobenzoyl-CoA A dichlorobenzoyl-CoA having 2,4-dichlorobenzoyl as the S-acyl group. KEGG:C06671|PMID:8626335|UM-BBD_compID:c0189 phenio.json 2,4-Dichlorobenzoyl-CoA|2,4-dichlorobenzoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2,4-dichlorobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15470 3_STAR
CHEBI:15471 biolink:ChemicalSubstance trans-dodec-2-enoyl-CoA An acyl-CoA having trans-dodec-2-enoyl as the S-acyl group. KEGG:C03221 phenio.json (2E)-Dodec-2-enoyl-CoA|(2E)-Dodecenoyl-CoA|2-trans-Dodecenoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-dodec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15471 3_STAR
CHEBI:15472 biolink:ChemicalSubstance anthraniloyl-CoA A member of the class of benzoyl-CoAs having 2-aminobenzoyl as the S-acyl group. KEGG:C02247|PDBeChem:COW|PMID:12054436|PMID:18083812|PMID:19694421|PMID:7607242|Reaxys:11086248 phenio.json 2-Aminobenzoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-aminobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Anthranilyl-CoA|anthraniloyl-coenzyme A|anthranilyl-CoA|anthranilyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15472 3_STAR
CHEBI:15473 biolink:ChemicalSubstance crotonoyl-CoA The (E)-isomer of but-2-enoyl-CoA. KEGG:C00877|PDBeChem:COO|UM-BBD_compID:c0032 phenio.json (E)-but-2-enoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-but-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Crotonoyl-CoA|Crotonyl-CoA|trans-But-2-enoyl-CoA|trans-butyr-2-enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15473 3_STAR
CHEBI:15474 biolink:ChemicalSubstance 2-furoyl-CoA An acyl-CoA having 2-furoyl as the S-acyl group. KEGG:C00845|PMID:16347977|PMID:2170335|PMID:4318274|PMID:4655411|Reaxys:20380491 phenio.json 2-Furoyl-CoA|2-furoyl-coenzyme A|2-furylformyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(furan-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15474 3_STAR
CHEBI:15475 biolink:ChemicalSubstance 2-hydroxyphytanoyl-CoA A multi-methyl-branched fatty acyl-CoA having 2-hydroxyphytanoyl as the S-acyl group. HMDB:HMDB0001295|KEGG:C07343|PMID:11341778|PMID:16796018|PMID:7556205|PMID:8954107|PMID:9266824|PMID:9374128|PMID:9375802 phenio.json 2-Hydroxyphytanoyl-CoA|2-hydroxy-3,7,11,15-tetramethylhexadecanoyl-CoA|2-hydroxy-3,7,11,15-tetramethylhexadecanoyl-coenzyme A|2-hydroxyphytanoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxy-3,7,11,15-tetramethylhexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|alpha-hydroxy-3,7,11,15-tetramethylhexadecanoyl-CoA|alpha-hydroxy-3,7,11,15-tetramethylhexadecanoyl-coenzyme A|alpha-hydroxyphytanoyl-CoA|alpha-hydroxyphytanoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15475 3_STAR
CHEBI:15476 biolink:ChemicalSubstance 2-methylacetoacetyl-CoA A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-methylacetoacetic acid. KEGG:C03344|PMID:1861461|PMID:8849116|PMID:9323571 phenio.json 2-Methyl-3-acetoacetyl-CoA|2-Methylacetoacetyl-CoA|2-methyl-3-acetoacetyl-CoA|2-methyl-3-acetoacetyl-coenzyme A|2-methylacetoacetyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15476 3_STAR
CHEBI:15477 biolink:ChemicalSubstance 2-methylbutanoyl-CoA A short-chain, methyl-branched fatty acyl-CoA having 2-methylbutanoyl as the S-acyl group. HMDB:HMDB0001041|KEGG:C01033|MetaCyc:2-METHYL-BUTYRYL-COA|PMID:17335222 phenio.json 2-Methylbutanoyl-CoA|2-Methylbutyryl-CoA|2-methylbutanoyl-coenzyme A|2-methylbutyryl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}|S-(2-methylbutanoyl)-CoA http://purl.obolibrary.org/obo/CHEBI_15477 3_STAR
CHEBI:15478 biolink:ChemicalSubstance 2-methylcrotonoyl-CoA KEGG:C03345 phenio.json (E)-2-Methylcrotonoyl-CoA|2-Methylcrotanoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-2-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}|Methylcrotonoyl-CoA|Methylcrotonyl-CoA|Tigloyl-CoA|Tiglyl-CoA|trans-2-Methylbut-2-enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15478 3_STAR
CHEBI:15479 biolink:ChemicalSubstance isobutyryl-CoA A short-chain, methyl-branched fatty acyl-CoA that is the S-isobutyryl derivative of coenzyme A. CAS:15621-60-0|HMDB:HMDB0001243|KEGG:C00630|MetaCyc:ISOBUTYRYL-COA|PDBeChem:CO6|PMID:12359132|PMID:17304052|PMID:17955482|PMID:3756180|PMID:8557569|Reaxys:78216|Wikipedia:Isobutyryl-CoA phenio.json 2-Methylpropanoyl-CoA|2-Methylpropionyl-CoA|2-methylpropionyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}|Isobutyryl-CoA|isobutanoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15479 3_STAR
CHEBI:15480 biolink:ChemicalSubstance 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA KEGG:C01291 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[7-methyl-3-(2-oxoethyl)octa-2,6-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}|3-(4-Methylpent-3-en-1-yl)-pent-2-enedioyl-CoA|Isohexenyl-glutaconyl-CoA http://purl.obolibrary.org/obo/CHEBI_15480 3_STAR
CHEBI:15481 biolink:ChemicalSubstance 3-hydroxy-2-methylpropanoyl-CoA KEGG:C04047 phenio.json 3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(3-hydroxy-2-methylpropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]|3-Hydroxy-2-methylpropanoyl-CoA|3-Hydroxy-2-methylpropionyl-CoA|3-Hydroxyisobutyryl coenzyme A|3-Hydroxyisobutyryl-CoA http://purl.obolibrary.org/obo/CHEBI_15481 3_STAR
CHEBI:15483 biolink:ChemicalSubstance 3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA The S-3-hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl derivative of CoA. KEGG:C04675 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3-(carboxymethyl)-3-hydroxy-7-methyloct-6-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-Hydroxy-3-(4-methylpent-3-en-1-yl)glutaryl-CoA http://purl.obolibrary.org/obo/CHEBI_15483 3_STAR
CHEBI:15484 biolink:ChemicalSubstance 3-hydroxybenzoyl-CoA A hydroxybenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-hydroxybenzoic acid. KEGG:C05195|PMID:10816048|PMID:11222587|PMID:12076800|PMID:12846828|PMID:18156265|PMID:19710020|PMID:8335640 phenio.json 3'-phosphoadenosine 5'-[3-(3-hydroxy-4-{[3-({2-[(3-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl) dihydrogen diphosphate]|3-Hydroxybenzoyl-CoA|3-hydroxybenzoyl-coenzyme A|m-hydroxybenzoyl-CoA|m-hydroxybenzoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15484 3_STAR
CHEBI:15485 biolink:ChemicalSubstance 3-hydroxypimeloyl-CoA A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxypimelic acid. KEGG:C06714|UM-BBD_compID:c0220 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-hydroxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-Hydroxypimeloyl-CoA|3-Hydroxypimelyl-CoA|3-hydroxypimeloyl-coenzyme A|3-hydroxypimelyl-coenzyme A|S-(6-carboxy-3-hydroxyhexanoyl)-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15485 3_STAR
CHEBI:15486 biolink:ChemicalSubstance 3-methylbut-2-enoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-methylbut-2-enoic acid. KEGG:C03069|PMID:15619721|Reaxys:78242 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbut-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}|3,3-dimethacrylyl-CoA|3,3-dimethacrylyl-coenzyme A|3-Methylbut-2-enoyl-CoA|3-Methylcrotonoyl-CoA|3-Methylcrotonyl-CoA|DMA-CoA|Dimethylacryloyl-CoA|S-(3-Methyl-crotonoyl)-coenzym-A|S-(3-methylcrotonoyl)-coenzyme-A|beta,beta-dimethacrylyl-CoA|beta,beta-dimethacrylyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15486 3_STAR
CHEBI:15487 biolink:ChemicalSubstance isovaleryl-CoA A methylbutanoyl-CoA is the S-isovaleryl derivative of coenzyme A. CAS:6244-91-3|Chemspider:145017|FooDB:FDB022430|HMDB:HMDB0001113|KEGG:C02939|LIPID_MAPS_instance:LMFA07050336|PDBeChem:IVC|PMID:11402190|PMID:15619721|PMID:15698607|PMID:18846531|PMID:25450250|PMID:26134562|PMID:26318610|PMID:27271456|PMID:27940564|PMID:28784791|PMID:6928646|Reaxys:78268|Wikipedia:Isovaleryl-CoA phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}|3-Methylbutanoyl-CoA|3-methylbutanoyl-coenzyme A|3-methylbutyryl-CoA|3-methylbutyryl-coenzyme A|Isovaleryl-CoA|S-(3-methylbutanoyl)-coenzyme A|beta-methylbutanoyl-CoA|beta-methylbutanoyl-coenzyme A|beta-methylbutyryl-CoA|beta-methylbutyryl-coenzyme A|isovaleryl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15487 3_STAR
CHEBI:15488 biolink:ChemicalSubstance trans-3-methylglutaconyl-CoA The S-(trans-3-methylglutaconyl) derivative of coenzyme A. CAS:6247-73-0|FooDB:FDB022396|HMDB:HMDB0001057|KEGG:C03231|LIPID_MAPS_instance:LMFA07050388|PMID:10896289|PMID:15192029|PMID:16482430|PMID:16640564|PMID:23225771|PMID:27271456|PMID:29742810|PMID:3071703|PMID:32431008|PMID:32914510|PMID:33280817|PMID:3841150|Wikipedia:3-Methylglutaconyl-CoA phenio.json (E)-3-methylglutaconyl-1-CoA|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxy-3-methylbut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-Methylglutaconyl-CoA|3-methylglutaconyl CoA|S-3-methylglutaconyl-coenzyme A|trans-3-Methylglutaconyl-CoA|trans-3-methylglutaconyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15488 3_STAR
CHEBI:15489 biolink:ChemicalSubstance 3-oxo-fatty acyl-CoA An oxo fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any 3-oxo-fatty acid.. KEGG:C00264|PMID:11315193|PMID:11418601|PMID:11879205|PMID:7957058|PMID:8541311 phenio.json 3-Oxoacyl-CoA|3-oxo fatty acyl-CoAs|3-oxo fatty acyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15489 3_STAR
CHEBI:1549 biolink:ChemicalSubstance 3-hydroxymonocarboxylic acid KEGG:C03834 phenio.json 3-Hydroxymonocarboxylic acid http://purl.obolibrary.org/obo/CHEBI_1549 2_STAR
CHEBI:15490 biolink:ChemicalSubstance 3-oxoadipyl-CoA The S-(3-oxoadipyl) derivative of coenzyme A. KEGG:C02232 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-3-oxopentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-Oxoadipyl-CoA|S-(5-carboxy-3-oxopentanoyl)-coenzyme A|beta-Ketoadipyl-CoA http://purl.obolibrary.org/obo/CHEBI_15490 3_STAR
CHEBI:15491 biolink:ChemicalSubstance 3-oxopalmitoyl-CoA The S-(3-oxopalmitoyl) derivative of coenzyme A. KEGG:C05259 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3-Ketopalmitoyl-CoA|3-Oxohexadecanoyl-CoA|3-Oxopalmitoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15491 3_STAR
CHEBI:15492 biolink:ChemicalSubstance 3-oxopimeloyl-CoA The S-(3-oxopimeloyl) derivative of coenzyme A. KEGG:C06715|UM-BBD_compID:c0221 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxy-3-oxohexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-Ketopimelyl-CoA|3-Oxopimeloyl-CoA http://purl.obolibrary.org/obo/CHEBI_15492 3_STAR
CHEBI:15493 biolink:ChemicalSubstance 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA A cholestanoyl-CoA formed by thioester linkage between 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid and coenzyme A. CAS:57458-60-3|KEGG:C04760|PMID:12966071|PMID:1351423|PMID:3183523|PMID:8301225|PMID:8694830 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3,7,12-Trihydroxy-5beta-cholestanoyl-CoA|3,7,12-Trihydroxycholestan-26-oyl-coa|3,7,12-trihydroxycoprostanoyl-CoA|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestanoyl-CoA|3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-coenzyme A|3alpha,7alpha,12alpha-trihydroxycoprostanoyl-CoA|S-(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestane-26-thioate|S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl)-coenzyme A|THCA-CoA|Thca-CoA|trihydroxycoprostanoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15493 3_STAR
CHEBI:15494 biolink:ChemicalSubstance 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-CoA A cholestanoyl-CoA formed by thioester linkage between 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid and coenzyme A. KEGG:C04644|PMID:3183523 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3alpha,7alpha-Dihydroxy-5beta-cholestanoyl-CoA|3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15494 3_STAR
CHEBI:15495 biolink:ChemicalSubstance 4,8,12-trimethyltridecanoyl-CoA A multi-methyl-branched fatty acyl-CoA that is the S-(4,8,12-trimethyltridecanoyl) derivative of coenzyme A. KEGG:C07296 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(4,8,12-trimethyltridecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|4,8,12-TMTD-CoA|4,8,12-Trimethyltridecanoyl-CoA|4,8,12-trimethyltridecanoyl-coenzyme A|4,8,12-trimethyltridecylyl-CoA|4,8,12-trimethyltridecylyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15495 3_STAR
CHEBI:15496 biolink:ChemicalSubstance 4-aminobutanoyl-CoA An aminobutanoyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 4-aminobutanoic acid. KEGG:C02801 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|4-Aminobutanoyl-CoA|4-aminobutanoyl-coenzyme A|4-butyryl-CoA|4-butyryl-coenzyme A|GABA-CoA|GABA-coenzyme A|gamma-aminobutanoyl-CoA|gamma-aminobutanoyl-coenzyme A|gamma-aminobutyryl-CoA|gamma-aminobutyryl-coenzyme A|omega-aminobutyryl-CoA|omega-aminobutyryl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15496 3_STAR
CHEBI:15497 biolink:ChemicalSubstance trans-4-carboxybut-2-enoyl-CoA The S-(trans-4-carboxybut-2-enoyl) derivative of coenzyme A. KEGG:C02411|UM-BBD_compID:c0227 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-4-carboxybut-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|4-Carboxybut-2-enoyl-CoA|Glutaconyl-1-CoA http://purl.obolibrary.org/obo/CHEBI_15497 3_STAR
CHEBI:15498 biolink:ChemicalSubstance 4-chlorobenzoyl-CoA A chlorobenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-chlorobenzoic acid CAS:117380-98-0|KEGG:C06387|PMID:8218302|UM-BBD_compID:c0190 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-chlorobenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|4-Cba-coa|4-Chlorobenzoyl coa|4-Chlorobenzoyl coenzyme A|4-Chlorobenzoyl-CoA|Coenzyme A, S-(4-chlorobenzoate) http://purl.obolibrary.org/obo/CHEBI_15498 3_STAR
CHEBI:15499 biolink:ChemicalSubstance 4-coumaroyl-CoA The S-(4-coumaroyl) derivative of coenzyme A. KEGG:C00223|KNApSAcK:C00007280|Reaxys:7683149 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[3-(4-hydroxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|4-Coumaroyl-CoA|4-Coumaroyl-coa|4-Coumaroyl-coenzyme A|4-Hydroxycinnamoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15499 3_STAR
CHEBI:15500 biolink:ChemicalSubstance 4-hydroxybenzoyl-CoA A hydroxybenzoyl-CoA that is the S-(4-hydroxybenzoyl) derivative of coenzyme A. CAS:27718-41-8|DrugBank:DB01652|KEGG:C02949|PMID:12232327|PMID:17449613|PMID:18539747|PMID:9047322|Reaxys:8399070|UM-BBD_compID:c0124 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|4-Hydroxybenzoyl-CoA|4-Hydroxybenzoyl-coa|4-Hydroxybenzoyl-coenzyme A|Coenzyme A, S-(4-hydroxybenzoate)|S-(4-hydroxybenzoyl)-CoA|p-hydroxybenzoyl-CoA|p-hydroxybenzoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15500 3_STAR
CHEBI:15501 biolink:ChemicalSubstance 5-hydroxypentanoyl-CoA An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 5-hydroxypentanoic acid. KEGG:C03237|PMID:2029896|PMID:2085413|PMID:3597403 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxypentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|5-Hydroxy-pentanoyl-CoA|5-hydroxypentanoyl-coenzyme A|5-hydroxyvaleryl-CoA|5-hydroxyvaleryl-coenzyme A|delta-hydroxypentanoyl-CoA|delta-hydroxypentanoyl-coenzyme A|delta-hydroxyvaleryl-CoA|delta-hydroxyvaleryl-coenzyme A|omega-hydroxypentanoyl-CoA|omega-hydroxypentanoylcoenzyme A|omega-hydroxyvaleryl-CoA|omega-hydroxyvaleryl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15501 3_STAR
CHEBI:15502 biolink:ChemicalSubstance 5-hydroxythiophene-2-carbonyl-CoA An acyl-CoA that is the S-(5-hydroxythiophene-2-carbonyl) derivative of coenzyme A. KEGG:C07348 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(5-hydroxythiophene-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|5-Hydroxythiophene-2-carbonyl-CoA|5-hydroxythiophene-2-carbonyl-coenzyme A|S-(5-hydroxythiophene-2-carbonyl)-CoA http://purl.obolibrary.org/obo/CHEBI_15502 3_STAR
CHEBI:15503 biolink:ChemicalSubstance 2,3-didehydropimeloyl-CoA The S-(2,3-didehydropimeloyl) derivative of coenzyme A. KEGG:C06723|UM-BBD_compID:c0219 phenio.json 2,3-Didehydro-pimeloyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhex-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|6-Carboxyhex-2-enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15503 3_STAR
CHEBI:15504 biolink:ChemicalSubstance pimeloyl-CoA An omega carboxyacyl-CoA that is the S-pimeloyl derivative of coenzyme A. CAS:18907-20-5|KEGG:C01063|KNApSAcK:C00019680|PMID:11320134|PMID:11322938|PMID:11904168|PMID:1445232|PMID:18396082|PMID:7383976|PMID:8125118|Reaxys:11263685|UM-BBD_compID:c0218 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(6-carboxyhexanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|6-Carboxyhexanoyl-CoA|Coenzyme A, S-(hydrogen heptanedioate)|Pimeloyl-CoA|Pimeloyl-coa|Pimeloyl-coenzyme A|Pimelyl-CoA http://purl.obolibrary.org/obo/CHEBI_15504 3_STAR
CHEBI:15505 biolink:ChemicalSubstance 6-hydroxycyclohex-1-ene-1-carbonyl-CoA The S-(6-hydroxycyclohex-1-ene-1-carbonyl) derivative of coenzyme A. KEGG:C06749|UM-BBD_compID:c0230 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(6-hydroxycyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|6-Hydroxycyclohex-1-ene-1-carboxyl-CoA|6-Hydroxycyclohex-1-enecarbonyl-CoA http://purl.obolibrary.org/obo/CHEBI_15505 3_STAR
CHEBI:15507 biolink:ChemicalSubstance beta-alanyl-CoA An acyl-CoA that is the S-(beta-alanyl) derivative of coenzyme A. HMDB:HMDB0006805|KEGG:C02335|PMID:13064|PMID:15670161|PMID:6788773|Reaxys:78295 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-aminopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-aminopropionyl-CoA|3-aminopropionyl-coenzyme A|S-beta-Ala-CoA|S-beta-Alanyl-coenzym-A|S-beta-alanyl-CoA|S-beta-alanyl-coenzyme-A|beta-Alanyl-CoA|beta-alanyl-CoA|beta-alanyl-coenzyme A|beta-aminopropionyl-CoA|beta-aminopropionyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15507 3_STAR
CHEBI:15508 biolink:ChemicalSubstance gamma-linolenoyl-CoA An octadecatrienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of gamma-linolenic acid. HMDB:HMDB0006368|KEGG:C03035|PMID:1310052|PMID:2297524|PMID:3722151 phenio.json (6Z,9Z,12Z)-6,9,12-octadecatrienoyl-CoA|(Z,Z,Z)-6,9,12-octadecatrienoyl-CoA|(Z,Z,Z)-6,9,12-octadecatrienoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(6Z,12Z,15Z)-octadeca-6,12,15-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}|6-cis,9-cis,12-cis-octadecatrienoyl-CoA|6-cis,9-cis,12-cis-octadecatrienoyl-coenzyme A|GLA-CoA|gamma-Linolenoyl-CoA|gamma-linolenoyl-coenzyme A|gamolenoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15508 3_STAR
CHEBI:15509 biolink:ChemicalSubstance 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA A member of the class of acyl-CoAs that is the S-[4-(2-carboxyphenyl)-4-oxobutanoyl] derivative of coenzyme A. CAS:72471-59-1|KEGG:C03160|PMID:12615349|PMID:18208520|PMID:18973344|PMID:28559280|PMID:500558|PMID:8626063|PMID:8955296 phenio.json 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA|4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A|4-(2-carboxyphenyl)-4-oxobutanoyl-CoA|Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)|OSB-CoA|o-Succinylbenzoyl-CoA|ortho-Succinylbenzoyl-coa http://purl.obolibrary.org/obo/CHEBI_15509 3_STAR
CHEBI:15510 biolink:ChemicalSubstance 5-hydroxy-2-furoyl-CoA The S-(5-hydroxy-2-furoyl) derivative of coenzyme A. KEGG:C03724 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)3-hydroxy-4-{[3-({2-[(5-hydroxyfuran-2-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|S-(5-Hydroxy-2-furoyl)-CoA|S-(5-hydroxy-2-furoyl)-CoA http://purl.obolibrary.org/obo/CHEBI_15510 3_STAR
CHEBI:15511 biolink:ChemicalSubstance trans-feruloyl-CoA A feruloyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-feruloic acid. KEGG:C00406|KNApSAcK:C00007264|PMID:16666570 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|feruloyl-CoA|trans-4-hydroxy-3-methoxycinnamoyl-CoA|trans-4-hydroxy-3-methoxycinnamoyl-coenzyme A|trans-Feruloyl-CoA|trans-feruloyl-CoA|trans-feruloyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15511 3_STAR
CHEBI:15512 biolink:ChemicalSubstance L-3-aminobutanoyl-CoA A 3-aminobutyryl-CoA having that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of L-3-aminobutanoic acid. KEGG:C05231 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(L-3-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|L-3-Aminobutyryl-CoA|L-3-aminobutanoyl-coenzyme A|L-3-aminobutyryl-coenzyme A|S-(L-3-aminobutanoyl)-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15512 3_STAR
CHEBI:15513 biolink:ChemicalSubstance acryloyl-CoA The S-acryloyl derivative of coenzyme A. Beilstein:78117|CAS:5776-58-9|KEGG:C00894|UM-BBD_compID:c0150 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(prop-2-enoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)|Acryloyl-CoA|Acryloyl-coa|Acryloyl-coenzyme A|Acrylyl-CoA|Acrylyl-coa|Coenzyme A, S-2-propenoate|Propenoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15513 3_STAR
CHEBI:15514 biolink:ChemicalSubstance arachidonoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of arachidononic acid. CAS:17046-56-9|HMDB:HMDB0006523|KEGG:C02249|PMID:1323964|PMID:16181777|PMID:16344985|PMID:2105213|PMID:2505330|PMID:2528345|PMID:3989882|PMID:4030780|PMID:6303134|PMID:6466693|PMID:8605368|Reaxys:9316147 phenio.json (5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-CoA|(5Z,8Z,11Z,14Z)-5,8,11,14-eicosatetraenoyl-coenzyme A|(5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoyl-coenzyme A|(5Z,8Z,11Z,14Z)-Icosatetraenoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Arachidonoyl-CoA|Arachidonyl-CoA|C20:4-CoA|all-cis-5,8,11,14-eicosatetraenoyl-CoA|all-cis-5,8,11,14-eicosatetraenoyl-coenzyme A|arachidonoyl-coenzyme A|arachidonyl-coenzyme A|cis-Delta(5,8,11,14)-eicosatetraenoyl-CoA|cis-Delta(5,8,11,14)-eicosatetraenoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15514 3_STAR
CHEBI:15515 biolink:ChemicalSubstance benzoyl-CoA The simplest member of the class of benzoyl-CoAs that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of benzoic acid. CAS:6756-74-7|Chemspider:7822142|FooDB:FDB022929|HMDB:HMDB0002252|KEGG:C00512|PDBeChem:BYC|PMID:10766750|PMID:10903310|PMID:11827519|PMID:12511484|PMID:15458418|PMID:1555579|PMID:15812036|PMID:15916608|PMID:20578740|PMID:21247899|PMID:21632537|PMID:23852864|PMID:25630364|PMID:26120796|PMID:2753161|PMID:28647601|PMID:28918628|PMID:29199980|PMID:30106574|PMID:3102706|PMID:31430028|PMID:32510798|PMID:33031578|PMID:33057782|PMID:33452484|PMID:33803916|PMID:5534109|PMID:8352646|PMID:8661934|PMID:9297469|PMID:9746358|Reaxys:78297|UM-BBD_compID:c0119 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(benzoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)|Benzoyl-CoA|S-Benzoate coenzyme A|S-benzoyl-coenzyme A|benzoyl coenzyme A|benzoyl-S-coenzyme A|benzoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15515 3_STAR
CHEBI:15516 biolink:ChemicalSubstance biotinyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of biotin. AGR:IND85072840|KEGG:C01894|LIPID_MAPS_instance:LMFA07050291|PMID:3800379 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-({5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)|Biotinyl-CoA|biotinyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15516 3_STAR
CHEBI:15517 biolink:ChemicalSubstance butyryl-CoA A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of butyric acid. CAS:2140-48-9|HMDB:HMDB0001088|KEGG:C00136|PDBeChem:BCO|PMID:10517585|PMID:1269146|PMID:14570270|PMID:15222752|PMID:3117785|PMID:6386797|PMID:8099072|Reaxys:78263|UM-BBD_compID:c0023 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(butanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)|4:0-CoA|Butanoyl-CoA|Butyryl-CoA|Butyryl-coa|Butyryl-coenzyme A|C4:0-CoA|Coenzyme A, S-butanoate|S-Butyryl-coenzym-A|S-butanoyl-CoA|S-butanoyl-coenzyme A|S-butyryl-CoA|S-butyryl-coenzyme A|butanoyl-CoA|butanoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15517 3_STAR
CHEBI:15518 biolink:ChemicalSubstance caffeoyl-CoA An acyl CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of caffeic acid. CAS:53034-79-0|KEGG:C00323|KNApSAcK:C00007281|Reaxys:7683288 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3,4-dihydroxyphenylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Caffeoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15518 3_STAR
CHEBI:15519 biolink:ChemicalSubstance choloyl-CoA A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cholic acid. KEGG:C01794|PMID:10706581|PMID:10884298|PMID:3741411|PMID:6639941|PMID:869918 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-one-CoA|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanoyl-CoA|3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl-CoA|3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl-coenzyme A|Choloyl-CoA|S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-CoA|choloyl-coenzyme A|cholyl-CoA|cholyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15519 3_STAR
CHEBI:15520 biolink:ChemicalSubstance cyclohexa-1,5-diene-1-carbonyl-CoA CAS:148471-94-7|KEGG:C06322|UM-BBD_compID:c0212 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(cyclohexa-1,5-diene-1-carbonyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Cyclohex-1,5-diene-1-carboxyl-CoA|Cyclohexa-1,5-diene-1-carbonyl-CoA|Cyclohexa-1,5-dienecarbonyl-CoA|S-1,5-Cyclohexadiene-1-carboxylate coenzymeA|cyclohex-1,5-diene-1-carbonyl-CoA|cyclohex-1,5-dienecarbonyl-CoA|cyclohex-1,5-dienecarboxyl-CoA|cyclohexa-1,5-diene-1-carbonyl-coenzymeA http://purl.obolibrary.org/obo/CHEBI_15520 3_STAR
CHEBI:15521 biolink:ChemicalSubstance lauroyl-CoA A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of lauric (dodecanoic) acid. CAS:6244-92-4|Chemspider:145018|DrugBank:DB03264|FooDB:FDB023198|HMDB:HMDB0003571|KEGG:C01832|LIPID_MAPS_instance:LMFA07050340|PDBeChem:DCC|PMID:10652339|PMID:1263766|PMID:15713483|PMID:15849423|PMID:16021622|PMID:16665518|PMID:21349973|PMID:22906002|PMID:24356978|PMID:27815501|PMID:30948713|PMID:31935250|PMID:33885999|PMID:3778940|PMID:627552|PMID:7551821|Reaxys:8033507|UM-BBD_compID:c0567 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(dodecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)|C12:0-CoA|Dodecanoyl-CoA|Lauroyl coenzyme A|Lauroyl-CoA|Lauroyl-coenzyme A|coenzyme A, S-dodecanoate|dodecanoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15521 3_STAR
CHEBI:15522 biolink:ChemicalSubstance formyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of formic acid. HMDB:HMDB0003419|KEGG:C00798|PDBeChem:FYN|PMID:10379198|PMID:10709654|PMID:11330072|PMID:9166898|Reaxys:21305801 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(formylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)|Formyl-CoA|formyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15522 3_STAR
CHEBI:15523 biolink:ChemicalSubstance cis-geranoyl-CoA The S-geranoyl derivative of coenzyme A. KEGG:C01920 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[((2Z)-3,7-dimethylocta-2,5-dienoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Geranoyl-CoA|Z-geranoyl-CoA|cis-Geranyl-CoA http://purl.obolibrary.org/obo/CHEBI_15523 3_STAR
CHEBI:15524 biolink:ChemicalSubstance glutaryl-CoA An omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of glutaric acid. CAS:3131-84-8|HMDB:HMDB0001339|KEGG:C00527|PDBeChem:GRA|PMID:11024031|PMID:3971969|PMID:6547838|PMID:853337|PMID:8722121|UM-BBD_compID:c0222 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|4-carboxybutanoyl-CoA|4-carboxybutanoyl-coenzyme A|Glutaryl-CoA|coenzyme A, S-(hydrogen pentanedioate)|glutaryl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15524 3_STAR
CHEBI:15525 biolink:ChemicalSubstance palmitoyl-CoA A long-chain fatty acyl-CoA resulting from the formal condensation of the carboxy group of hexadecanoic acid with the thiol group of coenzyme A. Beilstein:78534|CAS:1763-10-6|KEGG:C00154|KNApSAcK:C00007462|PMID:12241043|PMID:12880109|PMID:15579580|PMID:15793231|PMID:16094855|PMID:16100120|PMID:17059463|PMID:18167344|PMID:18469143|PMID:22585588|PMID:23261056|PMID:24535825|PMID:24639481|PMID:26621918|PMID:31875564|PMID:34171418 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(hexadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)|Coenzyme A, S-hexadecanoate|Hexadecanoyl-CoA|Palmitoyl coenzyme A|Palmitoyl-CoA|S-Palmitoylcoenzyme A http://purl.obolibrary.org/obo/CHEBI_15525 3_STAR
CHEBI:15527 biolink:ChemicalSubstance icosanoyl-CoA A very long-chain fatty acyl-CoA that is the S-icosanoyl derivative of coenzyme A. HMDB:HMDB0004258|KEGG:C02041|LIPID_MAPS_instance:LMFA07050006|PMID:3579296|Reaxys:20635662 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(icosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)|Arachidoyl-CoA|Eicosanoyl-CoA|arachidoyl-CoA|eicosanoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15527 3_STAR
CHEBI:15528 biolink:ChemicalSubstance itaconyl-CoA The S-itaconyl derivative of coenzyme A. KEGG:C00531 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxybut-3-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Itaconyl-CoA http://purl.obolibrary.org/obo/CHEBI_15528 3_STAR
CHEBI:15529 biolink:ChemicalSubstance lactoyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of lactic acid. CAS:1926-57-4|KEGG:C00827|PMID:4055736|UM-BBD_compID:c0151 phenio.json 2-hydroxypropanoyl CoA|2-hydroxypropanoyl coenzyme A|2-hydroxypropionyl CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Lactoyl-CoA|S-(2-hydroxypropanoyl)coenzyme A|alpha-hydroxypropanoyl CoA|alpha-hydroxypropanoyl coenzyme A|alpha-hydroxypropionyl CoA|alpha-hydroxypropionyl coenzyme A http://purl.obolibrary.org/obo/CHEBI_15529 3_STAR
CHEBI:15530 biolink:ChemicalSubstance linoleoyl-CoA An octadecadienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of linoleic acid. KEGG:C02050 phenio.json (9Z,12Z)-Octadecadienoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z,12Z)-octadeca-9,12-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}|Linoleoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15530 3_STAR
CHEBI:15531 biolink:ChemicalSubstance malonyl-CoA The S-malonyl derivative of coenzyme A. CAS:524-14-1|DrugBank:DB04524|KEGG:C00083|KNApSAcK:C00007260|LIPID_MAPS_instance:LMFA07050031|MetaCyc:MALONYL-COA|PDBeChem:MLC|PMID:11117381|PMID:11934665|PMID:16651524|PMID:17126822|PMID:17522981|PMID:18294446|PMID:21199367|PMID:21508288|PMID:21763447|Reaxys:78309|Wikipedia:Malonyl-CoA phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-carboxyacetyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Coenzyme A, S-(hydrogen propanedioate)|Malonyl coenzyme A|Malonyl-CoA|S-(Hydrogen malonyl)coenzyme A http://purl.obolibrary.org/obo/CHEBI_15531 3_STAR
CHEBI:15532 biolink:ChemicalSubstance myristoyl-CoA A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of myristic acid. CAS:3130-72-1|DrugBank:DB02180|HMDB:HMDB0001521|KEGG:C02593|LIPID_MAPS_instance:LMFA07050008|PDBeChem:MYA|PMID:15212474|PMID:17716801|PMID:19782157|PMID:20920594|PMID:21266575|PMID:8444867|Reaxys:8033632 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(tetradecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)|Myristoyl-CoA|S-tetradecanoyl-coenzyme A|Tetradecanoyl-CoA|n-C14:0-CoA|n-C14:0-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15532 3_STAR
CHEBI:15533 biolink:ChemicalSubstance octanoyl-CoA A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of octanoic acid. Beilstein:6562085|CAS:1264-52-4|Chemspider:393007|DrugBank:DB02910|FooDB:FDB022409|HMDB:HMDB0001070|KEGG:C01944|PDBeChem:CO8|PMID:11411544|PMID:15351645|PMID:19501572|PMID:25095906|PMID:26527136|PMID:2895026|PMID:30573650|PMID:30599088|PMID:31304053|PMID:31511507|PMID:33064909|PMID:33436600|PMID:4304157|PMID:4722901|PMID:6048700|PMID:7092822|PMID:729581|PMID:8038175|PMID:8356049|PMID:8470910|PMID:8823176|PMID:9480773|PMID:9514714|Reaxys:8033230|UM-BBD_compID:c0048|Wikipedia:Octanoyl-CoA phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)|8:0-CoA|C8:0-CoA|Coenzyme A, S-octanoate|Octanoyl-CoA|Octanoyl-coa|Octanoyl-coenzyme A|capryloyl-CoA|capryloyl-coenzyme A|n-octanoyl-CoA|octanoylcoenzyme A|octylyl-CoA|octylyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15533 3_STAR
CHEBI:15534 biolink:ChemicalSubstance oleoyl-CoA An octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oleic acid. CAS:1716-06-9|Chemspider:4593689|FooDB:FDB022554|HMDB:HMDB0001322|KEGG:C00510|LIPID_MAPS_instance:LMFA07050356|PDBeChem:3VV|PMID:10406955|PMID:1061066|PMID:11500518|PMID:15604682|PMID:16666608|PMID:25012658|PMID:25607896|PMID:30420764|PMID:30509981|PMID:32433610|PMID:32433613|PMID:32433614|PMID:6123958|PMID:710426|PMID:7142172|PMID:8220169|PMID:8373441|PMID:9751207|PMID:9756869|Reaxys:604341 phenio.json (9Z)-octadec-9-enoyl-CoA|(9Z)-octadec-9-enoyl-coenzyme A|(9Z)-octadecenoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(9Z)-octadec-9-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}|S-[(9Z)-octadec-9-enoyl]-CoA|S-[(9Z)-octadec-9-enoyl]-coenzyme A|S-oleoyl-CoA|S-oleoylcoenzyme A|cis-9-octadecenoyl-CoA|cis-9-octadecenoyl-coenzyme A|cis-Delta(9)-octadecenoyl-CoA|cis-Delta(9)-octadecenoyl-coenzyme A|oleoyl-CoA|oleoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15534 3_STAR
CHEBI:15535 biolink:ChemicalSubstance oxalyl-CoA An omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of oxalic acid. KEGG:C00313|PMID:12834851|PMID:18162462|PMID:5472155|Reaxys:15648689 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(oxalylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)|OXALYL-COENZYME A|Oxalyl-CoA http://purl.obolibrary.org/obo/CHEBI_15535 3_STAR
CHEBI:15536 biolink:ChemicalSubstance pentanoyl-CoA A short-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of pentanoic acid. CAS:4752-33-4|HMDB:HMDB0013037|KEGG:C00888|PMID:11879205|PMID:16133321|PMID:19860832|PMID:3597403|Reaxys:78329 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(pentanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)|5:0-CoA|C5:0-CoA|Pentanoyl-CoA|S-Valeryl-coenzym-A|S-valeryl-CoA|S-valeryl-coenzyme-A|Valeryl-coenzyme A|coenzyme A S-pentanoate|pentanoyl-coenzyme A|valeryl-CoA|valeryl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15536 3_STAR
CHEBI:15537 biolink:ChemicalSubstance phenylacetyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of phenylacetic acid. AGR:IND500707503|CAS:7532-39-0|Chemspider:145148|FooDB:FDB023945|HMDB:HMDB0006503|KEGG:C00582|KNApSAcK:C00007536|PDBeChem:FAQ|PMID:11010921|PMID:11260461|PMID:15028709|PMID:16788190|PMID:16997993|PMID:18544072|PMID:2009287|PMID:20823522|PMID:21247899|PMID:21511027|PMID:21519854|PMID:21725002|PMID:24055609|PMID:2553650|PMID:26538563|PMID:29867833|PMID:31585996|PMID:457678|PMID:6142928|PMID:666745|PMID:6838224|PMID:8002592|PMID:8352646|PMID:9297469|Reaxys:8399067|Wikipedia:Phenylacetyl-CoA phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(phenylacetyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|Coenzyme A, S-(benzeneacetate)|Phenylacetyl coenzyme A|Phenylacetyl-CoA|Phenylacetyl-coa|Phenylacetyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15537 3_STAR
CHEBI:15538 biolink:ChemicalSubstance phytanoyl-CoA The S-phytanoyl derivative of coenzyme A. KEGG:C02060 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3,7,11,15-tetramethylhexadecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|Phytanoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15538 3_STAR
CHEBI:15539 biolink:ChemicalSubstance propionyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of propionic acid. CAS:317-66-8|Chemspider:83731|DrugBank:DB02912|FooDB:FDB022529|HMDB:HMDB0001275|KEGG:C00100|PDBeChem:1VU|PMID:12700259|PMID:12824185|PMID:15514053|PMID:15518551|PMID:1595124|PMID:1819469|PMID:2009071|PMID:23435886|PMID:24206647|PMID:24497638|PMID:24623648|PMID:25398867|PMID:26170412|PMID:27227837|PMID:27377381|PMID:27557613|PMID:27820805|PMID:28189105|PMID:28202954|PMID:28760847|PMID:29033250|PMID:29056341|PMID:29381332|PMID:3003041|Reaxys:78167|UM-BBD_compID:c0363|Wikipedia:Propionyl-CoA phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(propanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)|Propanoyl-CoA|Propionyl coenzyme A|Propionyl-CoA|Propionyl-coenzyme A|S-Propionyl-coenzym-A|S-Propionylcoenzyme A|S-propanoyl-CoA|S-propanoyl-coenzyme A|propanoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15539 3_STAR
CHEBI:15540 biolink:ChemicalSubstance sinapoyl-CoA A trans-2-enoyl-CoA that is the S-sinapoyl derivative of coenzyme A. CAS:54429-80-0|KEGG:C00411|KNApSAcK:C00007283 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Sinapoyl-CoA|[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acroyl]-CoA http://purl.obolibrary.org/obo/CHEBI_15540 3_STAR
CHEBI:15541 biolink:ChemicalSubstance stearoyl-CoA A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of stearic acid. CAS:362-66-3|Chemspider:84957|FooDB:FDB022431|HMDB:HMDB0001114|KEGG:C00412|LIPID_MAPS_instance:LMFA07050369|PDBeChem:ST9|PMID:24356978|PMID:26098317|PMID:26098370|PMID:31838050|PMID:32251275|PMID:32601219|PMID:33052678|PMID:33207603|PMID:33374300|PMID:6472736|PMID:7480063|PMID:9434139|Reaxys:8033851|Wikipedia:Stearoyl-CoA phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)|C18:0-CoA|C18:0-coenzyme A|S-stearoyl-CoA|S-stearoylcoenzyme A|Stearoyl-CoA|Stearyl coenzyme A|Stearyl-CoA|octadecanoyl-CoA|octadecanoyl-coenzyme A|stearoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15541 3_STAR
CHEBI:15542 biolink:ChemicalSubstance thiophene-2-carbonyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of thiophene-2-carboxylic acid. KEGG:C07347 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(thiophene-2-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|Thiophene-2-carbonyl-CoA|thiophene-2-carbonyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_15542 3_STAR
CHEBI:15543 biolink:ChemicalSubstance vinylacetyl-CoA The S-vinylacetyl derivative of coenzyme A. KEGG:C02331 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(but-3-enoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)|3-Butenoyl-CoA|But-3-enoyl-CoA|Vinylacetyl-CoA|but-3-enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_15543 3_STAR
CHEBI:15544 biolink:ChemicalSubstance prostaglandin E1 CAS:745-65-3|DrugBank:DB00770|Drug_Central:138|HMDB:HMDB0001442|KEGG:C04741|KEGG:D00180|LIPID_MAPS_instance:LMFA03010134|PMID:15295081|PMID:18176061|PMID:7732902|Reaxys:2061617|Wikipedia:Prostaglandin_E1 phenio.json (11alpha,13E,15S)-11,15-dihydroxy-9-oxoprost-13-en-1-oic acid|(13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate|(13E,15S)-11alpha,15-dihydroxy-9-oxoprost-13-en-1-oic acid|11alpha,15alpha-dihydroxy-9-oxo-13-trans-prostenoic acid|Alprostadil|Befar|Caverject|Edex|Muse|PGE-1|PGE1|Prostaglandin E1|Prostin VR|alprostadil|alprostadilum http://purl.obolibrary.org/obo/CHEBI_15544 3_STAR
CHEBI:15545 biolink:ChemicalSubstance prostaglandin A1 CAS:14152-28-4|KEGG:C04685|LIPID_MAPS_instance:LMFA03010005|PDBeChem:8PG phenio.json (13E)-(15S)-15-Hydroxy-9-oxoprosta-10,13-dienoate|(13E,15S)-15-hydroxy-9-oxoprosta-10,13-dien-1-oic acid|PGA1|Prostaglandin A1 http://purl.obolibrary.org/obo/CHEBI_15545 3_STAR
CHEBI:15546 biolink:ChemicalSubstance prostaglandin C1 CAS:35687-86-6|KEGG:C04686|LIPID_MAPS_instance:LMFA03010160 phenio.json (13E)-(15S)-15-Hydroxy-9-oxoprosta-11,13-dienoate|(13E,15S)-15-hydroxy-9-oxoprosta-11,13-dienoic acid|PGC1|Prostaglandin C1 http://purl.obolibrary.org/obo/CHEBI_15546 3_STAR
CHEBI:15547 biolink:ChemicalSubstance 15-dehydro-prostaglandin E2 CAS:26441-05-4|FooDB:FDB023119|HMDB:HMDB0003175|KEGG:C04707|LIPID_MAPS_instance:LMFA03010030|PMID:23542179|PMID:23687300|PMID:26590294|PMID:26820738|PMID:30921435|PMID:33147298|PMID:33681993|PMID:37538064 phenio.json (5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprosta-13-enoate|(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate|(5Z,13E)-11alpha-hydroxy-9,15-dioxoprosta-5,13-dienoic acid|15-Keto-PGE2|15-Keto-prostaglandin E2|15-Ketoprostaglandin E2|15-Oxo-PGE2|15-deoxy-15-oxo-prostaglandin E2 http://purl.obolibrary.org/obo/CHEBI_15547 3_STAR
CHEBI:15548 biolink:ChemicalSubstance 15-dehydro-prostaglandin E1 KEGG:C04654|LIPID_MAPS_instance:LMFA03010146 phenio.json (13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate|(13E)-11alpha-hydroxy-9,15-dioxoprost-13-en-1-oic acid http://purl.obolibrary.org/obo/CHEBI_15548 3_STAR
CHEBI:15550 biolink:ChemicalSubstance 13,14-dihydro-15-oxo-prostaglandin E2 The 13,14-dihydro derivative of 15-oxo-prostaglandin E2. CAS:363-23-5|KEGG:C04671|LIPID_MAPS_instance:LMFA03010031 phenio.json (5Z)-(15S)-11alpha-Hydroxy-9,15-dioxoprostanoate|(5Z)-11alpha-hydroxy-9,15-dioxoprost-5-enoic acid|13,14-Dihydro-15-keto-PGE2|13,14-Dihydro-15-ketoprostaglandin E2|13,14-dihydro-15-keto-PGE2|15-Keto-13,14-dihydro-PGE2|15-Keto-13,14-dihydroprostaglandin E2|KH(2)PGE(2)|PGEM|dhk-PGE2 http://purl.obolibrary.org/obo/CHEBI_15550 3_STAR
CHEBI:15551 biolink:ChemicalSubstance prostaglandin E2 Prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of mammalian prostaglandins. Beilstein:2224724|CAS:363-24-6|DrugBank:DB00917|Drug_Central:913|FooDB:FDB022498|HMDB:HMDB0001220|KEGG:C00584|KEGG:D00079|LINCS:LSM-42919|LIPID_MAPS_instance:LMFA03010003|PDBeChem:P2E|PMID:11279302|PMID:12746806|PMID:12859290|PMID:14499495|PMID:14535055|PMID:14703707|PMID:15542928|PMID:15661432|PMID:16405508|PMID:16787416|PMID:16978535|PMID:20671299|PMID:2403792|PMID:24501112|PMID:32898608|PMID:33271839|PMID:33559528|PMID:33685091|PMID:33715333|PMID:33782420|PMID:33811074|PMID:33958485|PMID:34065827|PMID:34071686|PMID:34102274|PMID:6317292|PMID:7224729|PMID:74611|PMID:7836930|PMID:9276764|Patent:DE2011969|Patent:GB851827|Patent:NL6505799|Patent:US3598858|Reaxys:2224724|Wikipedia:Prostaglandin_E2 phenio.json (15S)-prostaglandin E2|(5Z,11alpha,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid|(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate|(5Z,13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprosta-5,13-dienoate|(5Z,13E,15S)-11alpha,15-dihydroxy-9-oxoprosta-5,13-dien-1-oic acid|(E,Z)-(1R,2R,3R)-7-(3-Hydroxy-2-((3S)-(3-hydroxy-1-octenyl))-5-oxocyclopentyl)-5-heptenoic acid|(Z)-7-((1R,2R,3R)-3-hydroxy-2-((S,E)-3-hydroxyoct-1-enyl)-5-oxocyclopentyl)hept-5-enoic acid|Cervidil|Cerviprime|Cerviprost|Dinoproston|Enzaprost E|Glandin-E2|Minprositin E2|Minprostin E2|PGE2|Prepidil|Propess|Prostaglandin E2|Prostarmon E|Prostenone|Prostin|Prostin E2|U 12062|U-12,062|U-12062|dinoprostona|dinoprostone|dinoprostonum http://purl.obolibrary.org/obo/CHEBI_15551 3_STAR
CHEBI:15552 biolink:ChemicalSubstance prostaglandin I2 Beilstein:1690090|CAS:35121-78-9|DrugBank:DB01240|Drug_Central:1034|KEGG:C01312|KEGG:D00106|LIPID_MAPS_instance:LMFA03010087 phenio.json (5Z,13E)-(15S)-6,9alpha-Epoxy-11alpha,15-dihydroxyprosta-5,13-dienoate|(5Z,13E,15S)-6,9alpha-epoxy-11alpha,15-dihydroxyprosta-5,13-dienoic acid|(5Z,9alpha,11alpha,13E,15S)-6,9-epoxy-11,15-dihydroxyprosta-5,13-dien-1-oic acid|Epoprostenol|Flolan|PGI2|PGX|Prostacyclin|Prostaglandin I2|Vasocyclin|prostaglandin X http://purl.obolibrary.org/obo/CHEBI_15552 3_STAR
CHEBI:15553 biolink:ChemicalSubstance prostaglandin F2alpha A prostaglandins Falpha that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. It is a naturally occurring prostaglandin used to induce labor. CAS:551-11-1|Drug_Central:912|HMDB:HMDB0001139|KEGG:C00639|KEGG:D00081|LIPID_MAPS_instance:LMFA03010002|MetaCyc:5Z13E-15S-9-ALPHA11-ALPHA15-TRIHY|PMID:11438482|PMID:23807981|Reaxys:2225571|VSDB:1803|Wikipedia:Dinoprost phenio.json (+)-Prostaglandin F2a|(5Z,13E)-(15S)-9alpha,11alpha,15-Trihydroxyprosta-5,13-dienoate|(5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dien-1-oic acid|7-[3,5-Dihydroxy-2-(3-hydroxy-1-octenyl)cyclopentyl]-5-heptenoic acid|9,11,15-Trihydroxy-(5Z,9a,11a,13E,15S)-prosta-5,13-dien-1-oic acid|9a,11a-PGF2|Amoglandin|Cyclosin|Dinoprost|Enzaprost|Enzaprost F|PGF2a|PGF2alpha|Panacelan|Prostaglandin F2a|Prostaglandin F2alpha|Prostin F 2 alpha|Protamodin|U 14583|dinoprost|dinoprosta|dinoprostum|l-PGF2-alpha|l-Prostaglandin F2-alpha http://purl.obolibrary.org/obo/CHEBI_15553 3_STAR
CHEBI:15554 biolink:ChemicalSubstance prostaglandin H2 Beilstein:1598632|CAS:42935-17-1|KEGG:C00427|LIPID_MAPS_instance:LMFA03010010 phenio.json (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid|(5Z,13E)-(15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate|(5Z,13E,15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate|(5Z,13E,15S)-9alpha,11alpha-epidioxy-15-hydroxyprosta-5,13-dienoic acid|(5Z,9alpha,11alpha,13E,15S)-9,11-epidioxy-15-hydroxyprosta-5,13-dien-1-oic acid|9,11-Epoxymethano-pgh2|PGH2|Prostaglandin H2 http://purl.obolibrary.org/obo/CHEBI_15554 3_STAR
CHEBI:15555 biolink:ChemicalSubstance prostaglandin D2 A member of the class of prostaglandins D that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,9alpha,13E,15S- stereoisomer). CAS:41598-07-6|DrugBank:DB02056|HMDB:HMDB0001403|KEGG:C00696|LIPID_MAPS_instance:LMFA03010004|PDBeChem:PG2|PMID:15843042|PMID:24298012|PMID:24447364|PMID:24456221|Reaxys:2170623|Wikipedia:Prostaglandin_D2 phenio.json (5Z,13E)-(15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate|(5Z,13E,15S)-9alpha,15-Dihydroxy-11-oxoprosta-5,13-dienoate|(5Z,13E,15S)-9alpha,15-dihydroxy-11-oxoprosta-5,13-dien-1-oic acid|11-Dehydroprostaglandin F2-alpha|PGD2|Prostaglandin D2 http://purl.obolibrary.org/obo/CHEBI_15555 3_STAR
CHEBI:15556 biolink:ChemicalSubstance 15-dehydro-prostaglandin I2 CAS:100311-07-7|KEGG:C04835 phenio.json (5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate|(5Z,13E)-6,9alpha-epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoic acid|15-Keto-pgi2|15-Ketoprostaglandin I2|15-deoxy-15-oxo-prostaglandin I2|15-keto PGI2 http://purl.obolibrary.org/obo/CHEBI_15556 3_STAR
CHEBI:15557 biolink:ChemicalSubstance 15-dehydro-prostaglandin D2 The 15-dehydro derivative of prostaglandin D2. KEGG:C04758 phenio.json (5Z,13E)-9alpha-Hydroxy-11,15-dioxoprosta-5,13-dienoate|(5Z,13E)-9alpha-hydroxy-11,15-dioxoprosta-5,13-dienoic acid|15-Dehydro-prostaglandin D2|15-deoxy-15-oxo-prostaglandin D2 http://purl.obolibrary.org/obo/CHEBI_15557 3_STAR
CHEBI:15558 biolink:ChemicalSubstance 15(S)-HETE An optically active form of 15-HETE having 15(S)-configuration.. Beilstein:2470466|CAS:54845-95-3|HMDB:HMDB0003876|KEGG:C04742|KEGG:D08931|LIPID_MAPS_instance:LMFA03060001|PMID:11212240|PMID:15613483|PMID:15964853|PMID:18494609|PMID:22068350|Reaxys:6125815 phenio.json (15S)-15-Hydroxy-5,8,11-cis-13-trans-eicosatetraenoate|(15S)-15-Hydroxy-5,8,11-cis-13-trans-icosatetraenoate|(15S)-15-hydroxy-5,8,11-cis-13-trans-eicosatetraenoate|(15S)-15-hydroxy-5,8,11-cis-13-trans-icosatetraenoate|(15S)-hydroxy-(5Z,8Z,11Z,13E)-eicosatetraenoic acid|(15S)-hydroxyeicosa-(5Z,8Z,11Z,13E)-tetraenoic acid|(5Z,8Z,11Z,13E)-(15S)-15-Hydroxyicosa-5,8,11,13-tetraenoic acid|(5Z,8Z,11Z,13E,15S)-15-hydroxy-5,8,11,13-eicosatetraenoic acid|(5Z,8Z,11Z,13E,15S)-15-hydroxyeicosa-5,8,11,13-tetraenoic acid|(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid|15(S)-HETE|15(S)-hydroxyeicosatetraenoic acid|15S-HETE|icomucret http://purl.obolibrary.org/obo/CHEBI_15558 3_STAR
CHEBI:15559 biolink:ChemicalSubstance 15-oxo-ETE An oxoicosatetraenoic acid having (5Z,8Z,11Z,13E) double bond stereochemistry, and an oxo group in position 15. CAS:81416-72-0|HMDB:HMDB0010210|KEGG:C04577|LIPID_MAPS_instance:LMFA03060051|PMID:17459323|PMID:17910482|PMID:19535459|PMID:23945567|Reaxys:6217055 phenio.json (5Z,8Z,11Z,13E)-15-Oxoicosa-5,8,11,13-tetraenoic acid|(5Z,8Z,11Z,13E)-15-ketoeicosa-5,8,11,13-tetraenoic acid|(5Z,8Z,11Z,13E)-15-oxo-5,8,11,13-eicosatetraenoic acid|(5Z,8Z,11Z,13E)-15-oxoeicosa-5,8,11,13-tetraenoic acid|(5Z,8Z,11Z,13E)-15-oxoicosa-5,8,11,13-tetraenoic acid|15-Kete|15-Oxo-5,8,11-cis-13-trans-eicosatetraenoate|15-Oxo-ETE|15-OxoETE http://purl.obolibrary.org/obo/CHEBI_15559 3_STAR
CHEBI:15560 biolink:ChemicalSubstance (15Z)-12-oxophyto-10,15-dienoic acid Beilstein:4354678|CAS:67204-66-4|KEGG:C01226|KNApSAcK:C00000365 phenio.json (15Z)-12-Oxophyto-10,15-dienoate|(15Z)-12-Oxophyto-10,15-dienoic acid|12-OPDA|12-Oxo-10,15(Z)-phytodienoic acid|12-oxophytodienoic acid|4-oxo-5-(2-pentenyl)-2-Cyclopentene-1-octanoic acid|8-(2-(cis-2'-Pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid|8-{(1S,5S)-4-oxo-5-[(2Z)-pent-2-en-1-yl]cyclopent-2-en-1-yl}octanoic acid|9(S),13(S)-12-Oxo-PDA|OPDA http://purl.obolibrary.org/obo/CHEBI_15560 3_STAR
CHEBI:15561 biolink:ChemicalSubstance cis-1,2-dihydronaphthalene-1,2-diol Beilstein:10079827|CAS:31966-70-8|KEGG:C04314|UM-BBD_compID:c0334 phenio.json (1R,2S)-rel- 1,2-dihydro-1,2-naphthalenediol|cis-1,2-Dihydronaphthalene-1,2-diol|cis-1,2-dihydro-1,2-naphthalenediol|cis-1,2-dihydroxy-1,2-dihydronaphthalene|rel-(1R,2S)-1,2-dihydronaphthalene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_15561 3_STAR
CHEBI:15562 biolink:ChemicalSubstance D-threo-isocitrate(3-) The D-threo-form of isocitrate(3-). KEGG:C00451 phenio.json (1R,2S)-1-hydroxypropane-1,2,3-tricarboxylate|D-threo-isocitrate|threo-Ds-isocitrate http://purl.obolibrary.org/obo/CHEBI_15562 3_STAR
CHEBI:15563 biolink:ChemicalSubstance D-erythro-isocitrate(3-) A isocitrate(3-) that is the conjugate base of D-erythro-isocitric acid. KEGG:C04617 phenio.json (1S,2S)-1-hydroxypropane-1,2,3-tricarboxylate|D-erythro-isocitrate|threo-DS-isocitrate http://purl.obolibrary.org/obo/CHEBI_15563 3_STAR
CHEBI:15564 biolink:ChemicalSubstance (3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid CAS:161578-47-8|KEGG:C06318|UM-BBD_compID:c0185 phenio.json (1R,6S)-Dihydroxycyclohexa-2,4-diene-1,4-dicarboxylate|(1R,6S)-dihydroxycyclohexa-2,4-diene-1,4-dicarboxylate|(3S,4R)-3,4-Dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate|(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylate|(3S,4R)-3,4-dihydroxycyclohexa-1,5-diene-1,4-dicarboxylic acid|Terephthalate-1,2-cis-dihydrodiol|cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,4-dicarboxylate|cis-4,5-dihydroxycyclohexa-1(6),2-diene-1,4-dicarboxylate http://purl.obolibrary.org/obo/CHEBI_15564 3_STAR
CHEBI:15565 biolink:ChemicalSubstance (1S,2R)-3-methylcyclohexa-3,5-diene-1,2-diol CAS:41977-20-2|KEGG:C04592|UM-BBD_compID:c0283 phenio.json (1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol|(1S,2R)-3-methylcyclohexa-3,5-diene-1,2-diol|Toluene-cis-1,2-dihydrodiol|Toluene-cis-dihydrodiol http://purl.obolibrary.org/obo/CHEBI_15565 3_STAR
CHEBI:15566 biolink:ChemicalSubstance (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid KEGG:C04687 phenio.json (1S,3R,4S)-3,4-Dihydroxycyclohexane-1-carboxylate|(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylate|(1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_15566 3_STAR
CHEBI:15567 biolink:ChemicalSubstance (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid KEGG:C04670 phenio.json (1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate|(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate|(1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_15567 3_STAR
CHEBI:15568 biolink:ChemicalSubstance (R)-2-halocarboxylic acid Any carboxylic acid carrying an unspecified halogen substituent at the 2R-position. MetaCyc:R-2-Haloacids phenio.json (R)-2-haloacid|(R)-2-haloacids|(R)-2-halocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_15568 3_STAR
CHEBI:15570 biolink:ChemicalSubstance D-alanine The D-enantiomer of alanine. CAS:338-69-2|DrugBank:DB01786|ECMDB:ECMDB01310|Gmelin:82157|HMDB:HMDB0001310|KEGG:C00133|KNApSAcK:C00019654|MetaCyc:D-ALANINE|PDBeChem:DAL|PMID:10977898|PMID:1450921|PMID:22005737|PMID:22075031|PMID:22123251|PMID:22313760|PMID:3275662|Reaxys:1720249|YMDB:YMDB00993 phenio.json (2R)-2-aminopropanoic acid|(R)-2-aminopropanoic acid|(R)-alanine|D-2-Aminopropionic acid|D-Ala|D-Alanin|D-Alanine|D-alanine|D-alpha-alanine|D-alpha-aminopropionic acid|DAL http://purl.obolibrary.org/obo/CHEBI_15570 3_STAR
CHEBI:15571 biolink:ChemicalSubstance hydrazine Beilstein:878137|CAS:302-01-2|Gmelin:190|KEGG:C05361|UM-BBD_compID:c0651 phenio.json H2NNH2|Hydrazin|Hydrazine|N2H4|diamine|diazane|hydrazine|nitrogen hydride http://purl.obolibrary.org/obo/CHEBI_15571 3_STAR
CHEBI:15573 biolink:ChemicalSubstance (2-aminoethyl)phosphonic acid A phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group. CAS:2041-14-7|HMDB:HMDB0011747|KEGG:C03557|MetaCyc:CPD-1106|PDBeChem:P7I|PMID:21108683|PMID:4385371|PMID:4963810|PMID:6056747|Reaxys:1098879 phenio.json (2-Aminoethane)phosphonic acid|(2-Aminoethyl)phosphonate|(2-aminoethyl)phosphonic acid|2-Aminoethylphosphonate|2-aminoethylphosphonate|Aminoethylphosphonic acid|Ciliatine|Phosphonoethylamine|beta-Aminoethylphosphonic acid http://purl.obolibrary.org/obo/CHEBI_15573 3_STAR
CHEBI:15574 biolink:ChemicalSubstance nuatigenin CAS:6811-35-4|KEGG:C04715|KNApSAcK:C00003581|LIPID_MAPS_instance:LMST01090001 phenio.json (20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol|(20S,22S,25S)-22,25-epoxyfurost-5-ene-3beta,26-diol|(22S,25S)-22,25-epoxyfurost-5-ene-3beta,26-diol|Nuatigenin|nuatigenin http://purl.obolibrary.org/obo/CHEBI_15574 3_STAR
CHEBI:15575 biolink:ChemicalSubstance nuatigenin 3-beta-D-glucopyranoside KEGG:C04859 phenio.json (20S,22S,25S)-22,25-Epoxyfurost-5-ene-3beta,26-diol 3-O-beta-D-glucoside|(20S,22S,25S)-22,25-epoxy-26-hydroxyfurost-5-en-3beta-yl beta-D-glucopyranoside|(22S,25S)-26-hydroxy-22,25-epoxyfurost-5-en-3beta-yl beta-D-glucopyranoside|nuatigenin 3-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_15575 3_STAR
CHEBI:15577 biolink:ChemicalSubstance (3beta,24R,24'R)-fucosterol epoxide Beilstein:4712006|KEGG:C03910 phenio.json (24R,24'R)-Fucosterol epoxide|(24R,24(1)R)-24,24(1)-epoxystigmast-5-en-3beta-ol|(24R,24(1)R)-fucosterol epoxide|(24R,28R)-24,28-epoxystigmast-5-en-3beta-ol|(24R,28R)-Fucosterol epoxide http://purl.obolibrary.org/obo/CHEBI_15577 3_STAR
CHEBI:15578 biolink:ChemicalSubstance (25S)-5beta-spirostan-3beta-ol Beilstein:91757|CAS:126-19-2|KEGG:C03963|KNApSAcK:C00003590 phenio.json (25S)-5beta-Spirostan-3beta-ol|(25S)-5beta-spirostan-3beta-ol|(3beta,5beta,25S)-spirostan-3-ol|Parigenin|Sarsasapogenin http://purl.obolibrary.org/obo/CHEBI_15578 3_STAR
CHEBI:15579 biolink:ChemicalSubstance (25S)-5beta-spirostan-3beta-yl beta-D-glucoside Beilstein:99976|CAS:14835-43-9|KEGG:C08886|KNApSAcK:C00003563|LIPID_MAPS_instance:LMST01080008|PMID:36500218 phenio.json (25S)-5beta-Spirostan-3beta-ol 3-O-beta-D-glucoside|(25S)-5beta-spirostan-3beta-ol 3-O-beta-D-glucoside|(25S)-5beta-spirostan-3beta-yl beta-D-glucopyranoside|(25S)-5beta-spirostan-3beta-yl beta-D-glucoside|asparagoside A http://purl.obolibrary.org/obo/CHEBI_15579 3_STAR
CHEBI:15580 biolink:ChemicalSubstance (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid A C16 polyunsaturated fatty acid that is the (10R,11S)-epoxy derivative of trideca-2,6-dienoic acid. KEGG:C04834|LIPID_MAPS_instance:LMFA01070019 phenio.json (2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoate|(2E,6E)-(10R,11S)-10,11-Epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid|(2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate|(2E,6E)-10,11-Epoxy-3,7,11-trimethyltridecadienoic acid|(2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid http://purl.obolibrary.org/obo/CHEBI_15580 3_STAR
CHEBI:15581 biolink:ChemicalSubstance juvenile hormone II A member of the juvenile hormone family of compounds that is the methyl ester of (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid. CAS:34218-61-6|KEGG:C04867|LIPID_MAPS_instance:LMFA01070020|PMID:2134167|PMID:22375690|PMID:3350118|Reaxys:1685515 phenio.json (10R,11S)-(+)-Juvenile hormone II|(10R,11S)-Juvenile hormone II|12-Homojuvenate|Cecropia juvenile hormone II|JH II|Juvenile hormone 2|Methyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate|Methyl (2E,6E)-cis-10,11-epoxy-3,7,11-trimethyl-2,6-tridecadienoate|Methyl 3,7,11-trimethyl-cis-10,11-oxido-trans,trans-2,6-tridecadienoate|cis-10,11-Epoxy-11-ethyl-3,7-dimethyl-2-trans-6-trans-tridecadienoic acid methyl ester|juvenile hormone II|methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate|methyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate http://purl.obolibrary.org/obo/CHEBI_15581 3_STAR
CHEBI:155814 biolink:ChemicalSubstance Cer(d40:2) phenio.json http://purl.obolibrary.org/obo/CHEBI_155814 2_STAR
CHEBI:155817 biolink:ChemicalSubstance HexCer(d34:1) phenio.json HexCer d34:1 http://purl.obolibrary.org/obo/CHEBI_155817 2_STAR
CHEBI:15582 biolink:ChemicalSubstance (2R,3S)-2,3-dimethylmalic acid The (2R,3S)-diastereomer of 2,3-dimethylmalic acid. KEGG:C03652|PMID:527937|PMID:7141415|Reaxys:1725262 phenio.json (2R,3S)-2,3-Dimethylmalate|(2R,3S)-2,3-dimethylmalate|(2R,3S)-2-hydroxy-2,3-dimethylbutanedioic acid http://purl.obolibrary.org/obo/CHEBI_15582 3_STAR
CHEBI:15583 biolink:ChemicalSubstance (R)-2-ethylmalic acid The (R)-enantiomer of 2-ethylmalic acid. KEGG:C02488 phenio.json (2R)-2-ethyl-2-hydroxybutanedioic acid|(R)-2-Ethylmalate|(R)-2-ethylmalate http://purl.obolibrary.org/obo/CHEBI_15583 3_STAR
CHEBI:155830 biolink:ChemicalSubstance N-acetyl-D-muramoyl-L-alanyl-D-isoglutamine(1-) phenio.json N-acetyl-D-muramoyl-L-alanyl-D-isoglutamine http://purl.obolibrary.org/obo/CHEBI_155830 2_STAR
CHEBI:155834 biolink:ChemicalSubstance phosphatidylethanolamine 34:1 phenio.json PE 34:1|PE(34:1)|phosphatidylethanolamine(34:1) http://purl.obolibrary.org/obo/CHEBI_155834 2_STAR
CHEBI:155835 biolink:ChemicalSubstance phosphatidylethanolamine 34:2 phenio.json PE 34:2|PE(34:2)|phosphatidylethanolamine(34:2) http://purl.obolibrary.org/obo/CHEBI_155835 2_STAR
CHEBI:155837 biolink:ChemicalSubstance tripeptide zwitterion A peptide zwitterion obtained from the tranfer of a proton from the carboxy group to the amino group of any tripeptide. It contains an equal number of positively-charged and negatively-charged functional groups. Major structure at pH 7.3. phenio.json L-amino acid tripeptide zwitterion|L-amino acid tripeptide zwitterions|amino acid tripeptide zwitterion|amino acid tripeptide zwitterions|an L-amino acid tripeptide http://purl.obolibrary.org/obo/CHEBI_155837 3_STAR
CHEBI:15584 biolink:ChemicalSubstance citramalic acid A 2-hydroxydicarboxylic acid that is malic acid (hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by a methyl group. CAS:2306-22-1|HMDB:HMDB0000426|KEGG:C00815|KNApSAcK:C00001181|PMID:13160012|PMID:14470458|PMID:17439666|PMID:21871058|PMID:6145530|PMID:7408203|Patent:US5650440|Reaxys:1723817|YMDB:YMDB01584 phenio.json (+-)-2-hydroxy-2-methylsuccinic acid|2-Methylmalic acid|2-hydroxy-2-methylbutanedioic acid|2-hydroxy-2-methylsuccinic acid|2-methylmalic acid|Citramalic acid|alpha-Hydroxypyrotartaric acid|alpha-hydroxypyrotartaric acid|citramalic acids http://purl.obolibrary.org/obo/CHEBI_15584 3_STAR
CHEBI:15586 biolink:ChemicalSubstance D-citramalic acid The D-enantiomer of citramalic acid. KEGG:C02612 phenio.json (2R)-2-Hydroxy-2-methylbutanedioate|(2R)-2-hydroxy-2-methylbutanedioic acid|(2R)-2-hydroxy-2-methylsuccinic acid|(3R)-Citramalic acid|(3R)-alpha-Hydroxypyrotartaric acid|(R)-2-Methylmalic acid|D-(-)-2-methylmalic acid|D-Citramalic acid|D-alpha-Hydroxypyrotartaric acid http://purl.obolibrary.org/obo/CHEBI_15586 3_STAR
CHEBI:15587 biolink:ChemicalSubstance (R)-3,3-dimethylmalic acid The (R)-enantiomer of 3,3-dimethylmalic acid. KEGG:C01088 phenio.json (3R)-3-hydroxy-2,2-dimethylbutanedioic acid|(R)-3,3-Dimethylmalate|(R)-3,3-dimethylmalate http://purl.obolibrary.org/obo/CHEBI_15587 3_STAR
CHEBI:155878 biolink:ChemicalSubstance D-idopyranose The pyranose form of D-idose. GlyTouCan:G97146EI phenio.json D-Idop|D-idopyranose|WURCS=2.0/1,1,0/[a1212h-1x_1-5]/1/ http://purl.obolibrary.org/obo/CHEBI_155878 3_STAR
CHEBI:15588 biolink:ChemicalSubstance (R)-malate(2-) An optically active form of malate having (R)-configuration. KEGG:C00497|MetaCyc:CPD-660 phenio.json (2R)-2-hydroxybutanedioate|(R)-malate|D-malate http://purl.obolibrary.org/obo/CHEBI_15588 3_STAR
CHEBI:155885 biolink:ChemicalSubstance alpha-D-mannosyl-(1<->6)-1D-myo-inositol-1-phospho-N-[(R)-2-hydroxy-very-long-chain fatty acyl]-(R)-4-hydroxysphingoid base(1-) MetaCyc:VLC-MIPC phenio.json (4R)-4-hydroxy-N-[(2R)-2-hydroxy-very-long-chain-acyl]-1-O-{[6-O-(alpha-D-mannosyl)-1D-myo-inositol-1-O-yl]hydroxyphosphoryl}sphinganine|an alpha-D-mannosyl-(1<->6)-1D-myo-inositol-1-phospho-N-[(R)-2-hydroxy-very-long-chain fatty acyl]-(R)-4-hydroxysphingoid base http://purl.obolibrary.org/obo/CHEBI_155885 2_STAR
CHEBI:15589 biolink:ChemicalSubstance (S)-malate(2-) An optically active form of malate having (S)-configuration. KEGG:C00149|MetaCyc:MAL|Reaxys:4133558 phenio.json (2S)-2-hydroxybutanedioate|(S)-malate|L-malate http://purl.obolibrary.org/obo/CHEBI_15589 3_STAR
CHEBI:15590 biolink:ChemicalSubstance 2,3-dimethylmalic acid A 2-hydroxydicarboxylic acid that is malic acid substituted by methyl groups at positions 2 and 3. LIPID_MAPS_instance:LMFA01050470|PMID:527937|PMID:7399408 phenio.json 2-hydroxy-2,3-dimethylbutanedioic acid|2-hydroxy-2,3-dimethylsuccinic acid http://purl.obolibrary.org/obo/CHEBI_15590 3_STAR
CHEBI:155900 biolink:ChemicalSubstance 4-quinolone A quinolone that is 1,4-dihydroquinoline substituted by an oxo group at position 4. CAS:529-37-3|PMID:7840594|PMID:7884804|Wikipedia:4-Quinolone phenio.json 1,4-dihydroquinolin-4-one|1H-quinolin-4-one|4(1H)-quinolinone|quinolin-4(1H)-one http://purl.obolibrary.org/obo/CHEBI_155900 3_STAR
CHEBI:155902 biolink:ChemicalSubstance 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one A member of the class of butenolides that is furan-2(5H)-one substituted by 4-hydroxyphenyl, hydroxy and 4-hydroxybenzylidene groups at positions 3, 4 and 5, respectively. phenio.json 4-hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2(5H)-one|4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one http://purl.obolibrary.org/obo/CHEBI_155902 3_STAR
CHEBI:155904 biolink:ChemicalSubstance (+)-albicanol A drimane-type sesquiterpenoid orginally isolated from the liverwort Diplophyllum albicans. It exhibits fish antifeedant, antifungal and antineoplastic activities. CAS:54632-04-1|KNApSAcK:C00020283|PMCID:PMC7278516|PMID:10959585|PMID:11440150|PMID:12130851|PMID:12350155|PMID:16913486|PMID:18310958|PMID:19594165|PMID:19801866|PMID:22660771|PMID:24647035|PMID:32548177 phenio.json (1S,4aalpha)-decahydro-5,5,8abeta-trimethyl-2-methylenenaphthalene-1-methanol|(4aalpha)-2-methylene-5,5,8abeta-trimethyldecalin-1beta-methanol|(4aalpha)-decahydro-5,5,8abeta-trimethyl-2-methylenenaphthalene-1beta-methanol|(8aS)-albicanol|[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]methanol|albicanol http://purl.obolibrary.org/obo/CHEBI_155904 3_STAR
CHEBI:15591 biolink:ChemicalSubstance 3-ethylmalic acid The 2-hydroxy-3-ethyl derivative of succinic acid. KEGG:C01989 phenio.json 2-ethyl-3-hydroxybutanedioic acid|3-Ethylmalate http://purl.obolibrary.org/obo/CHEBI_15591 3_STAR
CHEBI:15592 biolink:ChemicalSubstance 3-isopropylmalate(2-) A dicarboxylic acid dianion resulting from deprotonation of both carboxy groups of 3-isopropylmalic acid. phenio.json 2-hydroxy-3-(propan-2-yl)butanedioate|2-hydroxy-3-isopropylsuccinate http://purl.obolibrary.org/obo/CHEBI_15592 3_STAR
CHEBI:155926 biolink:ChemicalSubstance 1D-myo-inositol-1-phospho-N-[(R)-2-hydroxy-very-long-chain fatty acyl]-(R)-4-hydroxysphingoid base(1-) phenio.json (4R)-4-hydroxy-N-[(2R)-2-hydroxy-very-long-chain-acyl]-1-O-[(1D-myo-inositol-1-O-yl)hydroxyphosphoryl]sphinganine|a 1D-myo-inositol-1-phospho-N-[(R)-2-hydroxy-very-long-chain fatty acyl]-(R)-4-hydroxysphingoid base http://purl.obolibrary.org/obo/CHEBI_155926 2_STAR
CHEBI:15593 biolink:ChemicalSubstance 3-oxalomalate(3-) A tricarboxylic acid trianion that is the conjugate base of 3-oxalomalic acid. KEGG:C01990 phenio.json 1-hydroxy-3-oxopropane-1,2,3-tricarboxylate|3-oxalomalate http://purl.obolibrary.org/obo/CHEBI_15593 3_STAR
CHEBI:155932 biolink:ChemicalSubstance alpha-D-mannosyl-(1<->6)-1D-myo-inositol-1-phospho-N-(2-hydroxy-very-long-chain fatty acyl)-(R)-4-hydroxysphingoid base(1-) A mannosyl-alpha-1->6-inositol-1-phospho-N-(2-hydroxyacyl)-phytoceramide(1-) in which the acyl group has a chain length greater than 22 carbon atoms. PMID:9323360 phenio.json N-(2-hydroxy-very-long-chain fatty acyl)-phytosphingoid base-1-phospho-(6-O-alpha-D-mannosyl)-1D-myo-inositol (1-)|an alpha-D-mannosyl-(1<->6)-1D-myo-inositol-1-phospho-N-(2-hydroxy-very-long-chain fatty acyl)-(R)-4-hydroxysphingoid base|mannosylinositol-1-phospho-N-(2-hydroxy-very-long-chain fatty acyl)-4R-hydroxysphingoid base(1-)|mannosylinositol-1-phospho-N-(2-hydroxy-very-long-chain fatty acyl)-phytosphingoid base(1-) http://purl.obolibrary.org/obo/CHEBI_155932 3_STAR
CHEBI:15594 biolink:ChemicalSubstance 3-propylmalate(2-) A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 3-propylmalic acid. KEGG:C02123 phenio.json 2-hydroxy-3-propylbutanedioate|2-hydroxy-3-propylsuccinate|3-propylmalate http://purl.obolibrary.org/obo/CHEBI_15594 3_STAR
CHEBI:15595 biolink:ChemicalSubstance malate(2-) A C4-dicarboxylate resulting from deprotonation of both carboxy groups of malic acid. CAS:149-61-1|Gmelin:327305|KEGG:C00711|PMID:17190852|Reaxys:3664410 phenio.json 2-hydroxybutanedioate|hydroxybutanedioic acid, ion(2-)|mal|malate|malate anion|malate dianion http://purl.obolibrary.org/obo/CHEBI_15595 3_STAR
CHEBI:15596 biolink:ChemicalSubstance sinapic acid (S)-malate ester The 4-O-(S)-malate derivative of sinapic acid. KEGG:C02887 phenio.json 3-(4-{[(2S)-3-carboxy-2-hydroxypropanoyl]oxy}-3,5-dimethoxyphenyl)prop-2-enoic acid|Sinapoyl-(S)-malate http://purl.obolibrary.org/obo/CHEBI_15596 3_STAR
CHEBI:15597 biolink:ChemicalSubstance (2R)-2-O-phosphonato-3-sulfonatolactate(4-) A quadruply-charged carboxyalkyl phosphate oxoanion resulting from global deprotonation of (2R)-O-phospho-3-sulfolactic acid. phenio.json (2R)-2-(phosphonatooxy)-3-sulfonatopropanoate|(2R)-2-O-phosphonato-3-sulfonatolactate|(2R)-O-phospho-3-sulfolactate http://purl.obolibrary.org/obo/CHEBI_15597 3_STAR
CHEBI:15598 biolink:ChemicalSubstance 2-methylcitrate(3-) A tricarboxylic acid trianion that is the conjugate base of 2-methylcitric acid. KEGG:C02225 phenio.json 2-Hydroxybutane-1,2,3-tricarboxylate|2-Methylcitrate|2-hydroxybutane-1,2,3-tricarboxylate|2-methylcitrate http://purl.obolibrary.org/obo/CHEBI_15598 3_STAR
CHEBI:15599 biolink:ChemicalSubstance cis-3-phenylcyclohexa-3,5-diene-1,2-diol Beilstein:6801441|KEGG:C06589 phenio.json cis-2,3-Dihydro-2,3-dihydroxybiphenyl|cis-3-Phenylcyclohexa-3,5-diene-1,2-diol|rel-(1R,2S)-3-phenylcyclohexa-3,5-diene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_15599 3_STAR
CHEBI:15600 biolink:ChemicalSubstance (+)-catechin The (+)-enantiomer of catechin and a polyphenolic antioxidant plant metabolite. CAS:154-23-4|Drug_Central:629|HMDB:HMDB0002780|KEGG:C06562|KNApSAcK:C00000947|LIPID_MAPS_instance:LMPK12020001|MetaCyc:CPD-1961|PDBeChem:KXN|PMID:10617953|PMID:11196148|PMID:1502708|PMID:8224433|PMID:9438556|Reaxys:92761|Wikipedia:Catechin phenio.json (+)-(2R,3S)-5,7,3',4'-Tetrahydroxyflavan-3-ol|(+)-3',4',5,7-Tetrahydroxy-2,3-trans-flavan-3-ol|(+)-Catechin|(+)-Catechol|(+)-Cyanidan-3-ol|(2R,3S)-(+)-Catechin|(2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-chromene-3,5,7-triol|(2R,3S)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol|(2R,3S)-Catechin|(2R,3S)-catechin|(2R-trans)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol|Cianidanol|Cyanidanol|D-Catechin|catechuic acid http://purl.obolibrary.org/obo/CHEBI_15600 3_STAR
CHEBI:15601 biolink:ChemicalSubstance (2R,4S)-2,4-diaminopentanoate A 2,4-diaminopentanoate that is the conjugate base of (2R,4S)-2,4-diaminopentanoic acid. phenio.json (2R,4S)-2,4-diaminopentanoate|(2R,4S)-2,4-diaminovalerate|D-threo-2,4-diaminopentanoate http://purl.obolibrary.org/obo/CHEBI_15601 3_STAR
CHEBI:15602 biolink:ChemicalSubstance (2S)-2-[(R)-1-carboxyethylamino]pentanoate A dicarboxylic acid monoanion that is the conjugate base of (2S)-2-[(R)-1-carboxyethylamino]pentanoic acid. KEGG:C06326 phenio.json (2S)-2-{[(1R)-1-carboxyethyl]amino}pentanoate|(2S)-2-{[(1R)-1-carboxyethyl]amino}valerate|(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate|(2S)-2-{[1-(R)-carboxyethyl]amino}pentanoate|N-[(1R)-1-carboxyethyl]-L-norvalinate http://purl.obolibrary.org/obo/CHEBI_15602 3_STAR
CHEBI:156029 biolink:ChemicalSubstance phosphatidylglycerol 38:6 phenio.json PG 38:6|PG(38:6) http://purl.obolibrary.org/obo/CHEBI_156029 2_STAR
CHEBI:15603 biolink:ChemicalSubstance L-leucine The L-enantiomer of leucine. CAS:61-90-5|DrugBank:DB00149|Drug_Central:1557|ECMDB:ECMDB00687|Gmelin:50204|HMDB:HMDB0000687|KEGG:C00123|KEGG:D00030|KNApSAcK:C00001377|MetaCyc:LEU|PDBeChem:LEU_LFOH|PMID:17609475|PMID:22735334|PMID:24206068|PMID:24333966|PMID:8798704|Reaxys:1721722|Wikipedia:Leucine|YMDB:YMDB00387 phenio.json (2S)-2-amino-4-methylpentanoic acid|(2S)-alpha-2-Amino-4-methylvaleric acid|(2S)-alpha-Leucine|(S)-(+)-leucine|(S)-leucine|2-Amino-4-methylvaleric acid|L|L-Leucin|L-Leucine|L-Leuzin|L-leucine|LEUCINE|Leu http://purl.obolibrary.org/obo/CHEBI_15603 3_STAR
CHEBI:156030 biolink:ChemicalSubstance phosphatidylglycerol 40:5 phenio.json PG 40:5|PG(40:5) http://purl.obolibrary.org/obo/CHEBI_156030 2_STAR
CHEBI:156031 biolink:ChemicalSubstance phosphatidylglycerol 40:6 phenio.json PG 40:6|PG(40:6) http://purl.obolibrary.org/obo/CHEBI_156031 2_STAR
CHEBI:156032 biolink:ChemicalSubstance phosphatidylglycerol 36:3 phenio.json PG 36:3|PG(36:3) http://purl.obolibrary.org/obo/CHEBI_156032 2_STAR
CHEBI:156034 biolink:ChemicalSubstance phosphatidylglycerol 38:3 phenio.json PG 38:3|PG(38:3) http://purl.obolibrary.org/obo/CHEBI_156034 2_STAR
CHEBI:156035 biolink:ChemicalSubstance phosphatidylglycerol 38:5 phenio.json PG 38:5|PG(38:5) http://purl.obolibrary.org/obo/CHEBI_156035 2_STAR
CHEBI:156036 biolink:ChemicalSubstance phosphatidylglycerol 40:7 phenio.json PG 40:7|PG(40:7) http://purl.obolibrary.org/obo/CHEBI_156036 2_STAR
CHEBI:156039 biolink:ChemicalSubstance phosphatidylglycerol 44:12 phenio.json PG 44:12|PG(44:12) http://purl.obolibrary.org/obo/CHEBI_156039 2_STAR
CHEBI:15604 biolink:ChemicalSubstance (3R)-beta-leucine The (3R)-beta-isomer of leucine. CAS:5699-54-7|KEGG:C02486|MetaCyc:CPD-2041|PMID:3356699|Reaxys:1721066 phenio.json (3R)-3-Amino-4-methylpentanoic acid|(3R)-3-Amino-4-methylvaleric acid|(3R)-3-amino-4-methylpentanoic acid|(3R)-beta-2-amino-4-methylvaleric acid|(3R)-beta-Leucine|(3R)-beta-leucine|L-beta-Leucine http://purl.obolibrary.org/obo/CHEBI_15604 3_STAR
CHEBI:156040 biolink:ChemicalSubstance phosphatidylinositol 40:5 phenio.json PI 40:5|PI(40:5) http://purl.obolibrary.org/obo/CHEBI_156040 2_STAR
CHEBI:156044 biolink:ChemicalSubstance phosphatidylinositol 40:7 phenio.json PI 40:7|PI(40:7) http://purl.obolibrary.org/obo/CHEBI_156044 2_STAR
CHEBI:15605 biolink:ChemicalSubstance (2S)-flavan-4-ol A hydroxyflavan that is (2S)-flavan substituted by a hydroxy group at position 4. KEGG:C02345 phenio.json (2S)-2-phenyl-3,4-dihydro-2H-chromen-4-ol|(2S)-2-phenylchroman-4-ol|(2S)-Flavan-4-ol|(2S)-flavan-4-ol http://purl.obolibrary.org/obo/CHEBI_15605 3_STAR
CHEBI:15606 biolink:ChemicalSubstance (2S)-flavanone The (S)-enantiomer of flavanone. Beilstein:5379356|Beilstein:85288|KEGG:C02099|Reaxys:85288 phenio.json (2S)-2-phenyl-2,3-dihydro-4H-chromen-4-one|(2S)-Flavanone|(2S)-flavanone http://purl.obolibrary.org/obo/CHEBI_15606 3_STAR
CHEBI:156068 biolink:ChemicalSubstance alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose(1-) The conjugate base of alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose arising from deprotonation of the neuraminosyl carboxy group; major species at pH 7.3. PMID:14613940|PMID:22228546 phenio.json N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose|alpha-NeuAc-(2->3)-beta-D-Gal-(1->4)-D-Glc(1-) http://purl.obolibrary.org/obo/CHEBI_156068 2_STAR
CHEBI:15607 biolink:ChemicalSubstance (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid A 3-hydroxybutane-1,2,3-tricarboxylic acid which has (2S,3R) configuration. CAS:71183-66-9|KEGG:C04593|LIPID_MAPS_instance:LMFA01050444|PDBeChem:MIC phenio.json (2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylate|(2S,3R)-3-hydroxybutane-1,2,3-tricarboxylic acid|3-carboxy-2,3-dideoxy-4-C-methyl-L-threo-pentaric acid|Methylisocitric acid http://purl.obolibrary.org/obo/CHEBI_15607 3_STAR
CHEBI:15608 biolink:ChemicalSubstance (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid The (2S,3S)-diastereomer of 2-hydroxytridecane-1,2,3-tricarboxylic acid. KEGG:C04655 phenio.json (2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate|(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylate|(2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid http://purl.obolibrary.org/obo/CHEBI_15608 3_STAR
CHEBI:156095 biolink:ChemicalSubstance lumefantrine A member of the class of fluorenes that is 9-(p-chlorobenzylidene)-9H-fluorene which is substitutec by chlorine at positions 2 and 7, and by a 2-(dibutylamino)-1-hydroxyethyl group at position 4. An antimalarial drug used in combination with artemether for the treatment of multi-drug resistant strains of falciparum malaria. Beilstein:8811003|CAS:82186-77-4|DrugBank:DB06708|Drug_Central:1617|KEGG:D03821|PMID:12565929|PMID:12699750|PMID:12798326|Wikipedia:Lumefantrine phenio.json (+-)-2,7-Dichloro-9-((Z)-p-chlorobenzylidene)-alpha-((dibutylamino)methyl)fluorene-4-methanol|2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-(4-chlorobenzylidene)-9H-fluoren-4-yl]ethanol|2-Dibutylamino-1-[2,7-dichloro-9-(4-chloro-benzylidene)-9H-fluoren-4-yl]-ethanol|2-Dibutylamino-1-{2,7-dichloro-9-[1-(4-chloro-phenyl)-meth-(Z)-ylidene]-9H-fluoren-4-yl}-ethanol|Benflumetol|Lumefantrine|dl-Benflumelol http://purl.obolibrary.org/obo/CHEBI_156095 3_STAR
CHEBI:15611 biolink:ChemicalSubstance sarcosine A N-alkylglycine that is the N-methyl derivative of glycine. It is an intermediate in the metabolic pathway of glycine. CAS:107-97-1|Gmelin:2018|HMDB:HMDB0000271|KEGG:C00213|MetaCyc:SARCOSINE|PDBeChem:SAR|PMID:11272730|PMID:11850512|PMID:15023571|PMID:15331688|PMID:16154544|PMID:17095900|PMID:17190852|PMID:17901997|PMID:19433577|PMID:19577367|PMID:19619564|PMID:19944746|Reaxys:1699442|UM-BBD_compID:c0135|Wikipedia:Sarcosine phenio.json (methylamino)acetic acid|(methylamino)ethanoic acid|L-sarcosine|MeGly|N-Methylglycine|N-methylaminoacetic acid|SARCOSINE|Sar|Sarcosine|methylaminoacetic acid|sarcosine|sarcosinic acid http://purl.obolibrary.org/obo/CHEBI_15611 3_STAR
CHEBI:15613 biolink:ChemicalSubstance (3S)-3,6-diaminohexanoic acid A chiral diamino acid consisting of hexanoic acid having amino substituents at the 3- and 6-positions and (S)-configuration. KEGG:C01142 phenio.json (3S)-3,6-Diaminohexanoate|(3S)-3,6-diaminohexanoic acid|L-beta-Lysine|L-beta-lysine http://purl.obolibrary.org/obo/CHEBI_15613 3_STAR
CHEBI:156132 biolink:ChemicalSubstance L-thialysinium Major microspecies at pH 7.3. MetaCyc:S-2-AMINOETHYL-L-CYSTEINE|PMID:14766574 phenio.json S-(2-aminoethyl)-L-cysteine|S-(beta-aminoethyl)-L-cysteine http://purl.obolibrary.org/obo/CHEBI_156132 2_STAR
CHEBI:15614 biolink:ChemicalSubstance (S)-3-methyl-2-oxovaleric acid The (S)-enantiomer of 3-methyl-2-oxovaleric acid. Beilstein:1722136|KEGG:C00671|LIPID_MAPS_instance:LMFA01020275|PMID:1638756 phenio.json (3S)-2-oxo-3-methyl-n-valeric acid|(3S)-3-Methyl-2-oxopentanoic acid|(3S)-3-methyl-2-oxopentanoic acid|(S)-2-oxo-3-methylpentanoic acid|(S)-3-Methyl-2-oxopentanoate|(S)-3-Methyl-2-oxopentanoic acid|(S)-3-methyl-2-oxovaleric acid|(S)-OMV http://purl.obolibrary.org/obo/CHEBI_15614 3_STAR
CHEBI:15615 biolink:ChemicalSubstance (3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid KEGG:C04529 phenio.json (3S,4S)-3-Hydroxytetradecane-1,3,4-tricarboxylate|(3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid http://purl.obolibrary.org/obo/CHEBI_15615 3_STAR
CHEBI:15616 biolink:ChemicalSubstance (3S,5S)-3,5-diaminohexanoic acid A chiral diamino acid consisting of hexanoic acid having amino substituents at the 3- and 5-positions and (S,S)-configuration. KEGG:C01186 phenio.json (3S,5S)-3,5-diaminocaproic acid|(3S,5S)-3,5-diaminohexanoic acid|L-erythro-3,5-diaminohexanoic acid http://purl.obolibrary.org/obo/CHEBI_15616 3_STAR
CHEBI:15617 biolink:ChemicalSubstance (2R,3Z)-phycocyanobilin The (3Z)-isomer of (2R)-phycocyanobilin. KEGG:C05786|MetaCyc:3Z-PHYCOCYANOBILIN phenio.json (2R,3Z)-8,12-bis(2-carboxyethyl)-18-ethyl-3-ethylidene-2,7,13,17-tetramethyl-2,3-dihydrobilin-1,19(21H,24H)-dione|(3Z)-Phycocyanobilin http://purl.obolibrary.org/obo/CHEBI_15617 3_STAR
CHEBI:15618 biolink:ChemicalSubstance (3Z)-phycoerythrobilin The (3Z)-isomer of phycoerythrobilin. KEGG:C05912 phenio.json (3Z)-8,12-bis(2-carboxyethyl)-18-ethenyl-3-ethylidene-2,7,13,17-tetramethyl-2,3,15,16-tetrahydrobiline-1,19(21H,24H)-dione|(3Z)-Phycoerythrobilin http://purl.obolibrary.org/obo/CHEBI_15618 3_STAR
CHEBI:156186 biolink:ChemicalSubstance 1,25-Dihydroxy-24-oxo-16-ene-vitamin D3 LIPID_MAPS_instance:LMST03020608 phenio.json (6R)-6-[(3aS,4E,7aS)-4-[(2Z)-2-[(3S,5R)-3,5-dihydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-2-hydroxy-2-methylheptan-3-one http://purl.obolibrary.org/obo/CHEBI_156186 2_STAR
CHEBI:15619 biolink:ChemicalSubstance (3Z)-phytochromobilin The (3Z)-isomer of phytochromobilin. KEGG:C05913 phenio.json (3Z)-Phytochromobilin|3-(2-[(Z)-{3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-ylidene}methyl]-5-{(Z)-[(3Z,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid http://purl.obolibrary.org/obo/CHEBI_15619 3_STAR
CHEBI:15621 biolink:ChemicalSubstance (4-hydroxyphenyl)acetaldehyde CAS:7339-87-9|KEGG:C03765 phenio.json (4-hydroxyphenyl)acetaldehyde|2-(4-Hydroxyphenyl)acetaldehyde|4-Hydroxyphenylacetaldehyde|p-Hydroxyphenylacetaldehyde|pOH-Ph-CH2CHO http://purl.obolibrary.org/obo/CHEBI_15621 3_STAR
CHEBI:15622 biolink:ChemicalSubstance 2,3-diketogulonic acid A carbohydrate acid formally derived from gulonic acid by oxidation of the -OH groups at positions 2 and 3 to keto groups. Beilstein:1711133|CAS:3409-57-2|KEGG:C04575|PMID:9506998|Reaxys:1711133 phenio.json (4R,5S)-2,3-dioxo-4,5,6-trihydroxyhexanoic acid|(4R,5S)-4,5,6-Trihydroxy-2,3-dioxohexanoate|(4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoate|(4R,5S)-4,5,6-trihydroxy-2,3-dioxohexanoic acid|2,3-Diketo-L-gulonate|2,3-L-diketogulonic acid|2,3-diketo-L-gulonic acid|2,3-dioxo-2,3-dideoxy-L-gulonic acid|L-threo-(2,3)-Hexodiulosonsaeure|L-threo-2,3-hexodiurosonic acid|L-threo-hexo-2,3-diulosonic acid|diketo-L-gulonic acid|threo-2,3-Hexodiulosonic acid http://purl.obolibrary.org/obo/CHEBI_15622 3_STAR
CHEBI:15623 biolink:ChemicalSubstance 3-deoxy-D-glycero-hexo-2,5-diulosonic acid KEGG:C04349 phenio.json (4S)-4,6-Dihydroxy-2,5-dioxohexanoate|(4S)-4,6-dihydroxy-2,5-dioxohexanoic acid|2,5-Diketo-3-deoxy-D-gluconate|3-Deoxy-D-glycero-2,5-hexodiulosonate|3-deoxy-D-glycero-hexo-2,5-diulosonic acid http://purl.obolibrary.org/obo/CHEBI_15623 3_STAR
CHEBI:15624 biolink:ChemicalSubstance (4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid A dioxo monocarboxylic acid that is the 4,5-dihydroxy-2,6-dioxo derivative of hexanoic acid having (4S,5S)-configuration. KEGG:C04471 phenio.json (4S,5S)-4,5-Dihydroxy-2,6-dioxohexanoate|(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoate|(4S,5S)-4,5-dihydroxy-2,6-dioxohexanoic acid|4-deoxy-L-erythro-hex-5-ulosuronic acid http://purl.obolibrary.org/obo/CHEBI_15624 3_STAR
CHEBI:15625 biolink:ChemicalSubstance S-adenosylmethioninamine The S-adenosyl derivative of methioninamine. It acts as the aminopropyl donor in the biosynthesis of the polyamines, spermidine and spermine. Beilstein:4161053|CAS:22365-13-5|FooDB:FDB022353|HMDB:HMDB0000988|KEGG:C01137|PMID:15130560|PMID:17822713|PMID:20523031|PMID:20950271|PMID:3006760|PMID:3409208|PMID:3728970|PMID:4084287|PMID:6439194|PMID:6621404|PMID:6807294|PMID:7391043|PMID:7396502|PMID:7448956|PMID:869190|Wikipedia:S-Adenosylmethioninamine phenio.json (3-aminopropyl)(5'-deoxyadenosin-5'-yl)(methyl)sulfonium|(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium|(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation|(5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium salt|S-Adenosylmethioninamine|S-adenosyl 3-(methylsulfanyl)propylamine|S-adenosyl 3-(methylthio)propylamine|S-adenosyl-(5')-3-methylthiopropylamine|S-adenosyl-3-methylthiopropylamine|S-adenosylmethionamine|S-adenosylmethioninamine|S-methyl-S-adenosyl homocysteamine|S-methyl-S-adenosylhomocysteamine|S-methyladenosylhomocysteamine|[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl](3-aminopropyl)(methyl)sulfonium|dAdoMet|dc-SAM|dcAdoMet|dcSAM|decarboxylated AdoMet|decarboxylated S-adenosylmethionine|decarboxylated SAM http://purl.obolibrary.org/obo/CHEBI_15625 3_STAR
CHEBI:156255 biolink:ChemicalSubstance S-adenosyl-D-methionine phenio.json http://purl.obolibrary.org/obo/CHEBI_156255 2_STAR
CHEBI:156258 biolink:ChemicalSubstance enrasentan A member of the class of indanes that is 2,3-dihydro-1H-indene which is substituted by a 1,3-benzodioxol-5-yl group, carboxy group, 2-(2-hydroxyethoxy)-4-methoxyphenyl group and a propoxy group at positions 1S, 2R, 3S and 5, respectively. It is an orally active mixed endothelin A/B receptor antagonist with a 100-fold greater affinity for the endothelin A receptor. The drug was being developed by GSK for the treatment of congestive heart failure and pulmonary hypertension (clinical trials discontinued). CAS:167256-08-8|DrugBank:DB06460|PMID:10208832|PMID:10610275|PMID:11078416|PMID:11588531|PMID:11904522|PMID:12376360|PMID:12595914|PMID:16339819|PMID:8587428|PMID:8632328|PMID:9399985|PMID:9595469|PMID:9595510|PMID:9631875|PMID:9988883 phenio.json (1S,2R,3S)-1-(1,3-benzodioxol-5-yl)-3-[2-(2-hydroxyethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid|(1S,2R,3S)-3-(2-(2-hydroxyethoxy)-4-methoxyphenyl)-1-(3,4-(methylenedioxy)phenyl)-5-propoxy-2-indancarboxylic acid|SB 217242|SB-217242|SB217242|enrasentan|enrasentanum http://purl.obolibrary.org/obo/CHEBI_156258 3_STAR
CHEBI:156259 biolink:ChemicalSubstance PD-166866 A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by an amino group at position 2, 3,5-dimethoxyphenyl group at position 6, and by a (tert-butylcarbamoyl)nitrilo group at position 7. It is a selective ATP competitive inhibitor of the human fibroblast growth factor-1 receptor (FGFR1) tyrosine kinase with an IC50 of 52.4 nM. CAS:192705-79-6|PMID:11063616|PMID:11384237|PMID:11404258|PMID:12805413|PMID:15773903|PMID:15780636|PMID:17964795|PMID:17987803|PMID:20003343|PMID:21967732|PMID:22876277|PMID:23421678|PMID:24719266|PMID:26993162|PMID:32572027|PMID:9655904 phenio.json 1-[2-amino-6-(3,5-dimethoxyphenyl)-pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butyl urea|1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea|N-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-N'-(1,1-dimethylethyl)-urea|PD 166866|PD-166866|PD166866 http://purl.obolibrary.org/obo/CHEBI_156259 3_STAR
CHEBI:15626 biolink:ChemicalSubstance 12(S)-HPETE The (S)-enantiomer of 12-HPETE. CAS:67675-13-2|KEGG:C05965|LIPID_MAPS_instance:LMFA03060013|LIPID_MAPS_instance:LMFA03060042 phenio.json (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyeicosa-5,8,10,14-tetraenoate|(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoate|(5Z,8Z,10E,14Z)-(12S)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid|12(S)-HPETE|12-HpETE|12-Hpete|12-Hydroperoxyeicosatetraenoate|12-Hydroperoxyeicosatetraenoic acid|12-Hydroperoxyicosatetraenoate|12-Hydroperoxyicosatetraenoic acid|12-Oohete|Arachidonic acid omega-9 hydroperoxide|omega-9 Hpaa|omega-9-Hydroperoxyarachidonic acid http://purl.obolibrary.org/obo/CHEBI_15626 3_STAR
CHEBI:156262 biolink:ChemicalSubstance O-(S-octanoylpantetheine-4-phosphoryl)serine residue An O-(S-acylpantetheine-4'-phosphoryl)-L-serine residue in which the S-acyl group is specified as octanoyl. PMID:22451903 phenio.json octanoyl-pantetheine-4-phosphoryl-serine residue http://purl.obolibrary.org/obo/CHEBI_156262 2_STAR
CHEBI:15627 biolink:ChemicalSubstance thromboxane A2 A thromboxane which is produced by activated platelets and has prothrombotic properties: it stimulates activation of new platelets as well as increases platelet aggregation. CAS:57576-52-0|KEGG:C02198|LIPID_MAPS_instance:LMFA03030001 phenio.json (5Z,13E)-(15S)-9alpha,11alpha-Epoxy-15-hydroxythromboxa-5,13-dienoate|(5Z,13E,15S)-9alpha,11alpha-epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid|(5Z,9alpha,11alpha,13E,15S)-9,11-Epoxy-15-hydroxythromboxa-5,13-dien-1-oic acid|9S,11S-epoxy,15S-hydroxy-thromboxa-5Z,13E-dien-1-oic acid|TXA-2|TXA2|Thromboxane A2 http://purl.obolibrary.org/obo/CHEBI_15627 3_STAR
CHEBI:15628 biolink:ChemicalSubstance 15(S)-HPETE The (S)-enantiomer of 15-HPETE. KEGG:C05966|KNApSAcK:C00000400|LIPID_MAPS_instance:LMFA03060014 phenio.json (5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoate|(5Z,8Z,11Z,13E)-(15S)-15-Hydroperoxyicosa-5,8,11,13-tetraenoic acid|(5Z,8Z,11Z,13E,15S)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid|15(S)-HPETE|15-Hydroperoxyeicosatetraenoate|15-Hydroperoxyeicosatetraenoic acid|15-Hydroperoxyicosatetraenoate|15-Hydroperoxyicosatetraenoic acid|15S-HpETE http://purl.obolibrary.org/obo/CHEBI_15628 3_STAR
CHEBI:156287 biolink:ChemicalSubstance CX-5461 An organic heterotetracyclic compound that is 5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxylic acid substituted by a 4-methyl-1,4-diazepan-1-yl group at position 2 and in which the carboxy group at position 6 is substituted by a [(5-methylpyrazin-2-yl)methyl]nitrilo group. An inhibitor of ribosomal RNA (rRNA) synthesis which specifically inhibits RNA polymerase I-driven transcription of rRNA in several cancer cell lines. It is currently in phase I/II clinical trials for advanced hematologic malignancies and triple-negative breast cancer with BRCA1/2 mutation. CAS:1138549-36-6|LINCS:LSM-6342|PMID:21159662|PMID:30016731|PMID:30542116|PMID:30879743|PMID:31092402|PMID:31183313|PMID:31210846|PMID:31341008|PMID:31557908|PMID:31817270|PMID:32041867|PMID:32414869|PMID:32457376|PMID:32719798 phenio.json 2-(4-methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-5H-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide|2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)-N-[(5-methyl-2-pyrazinyl)methyl]-5-oxo-5H-benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide|CX 5461|CX5461 http://purl.obolibrary.org/obo/CHEBI_156287 3_STAR
CHEBI:15629 biolink:ChemicalSubstance 8(R)-HPETE The (R)-enantiomer of 8-HPETE. KEGG:C04822|KNApSAcK:C00000422|LIPID_MAPS_instance:LMFA03060037 phenio.json (5Z,8R,9E,11Z,14Z)-8-hydroperoxyicosa-5,9,11,14-tetraenoic acid|(5Z,9E,11Z,14Z)-(8R)-8-Hydroperoxyeicosa-5,9,11,14-tetraenoate|(5Z,9E,11Z,14Z)-(8R)-8-Hydroperoxyicosa-5,9,11,14-tetraenoate|(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyperoxyeicosa-5,9,11,14-tetraenoate|(5Z,9E,11Z,14Z)-(8R)-8-Hydroxyperoxyicosa-5,9,11,14-tetraenoate|8(R)-HPETE|8R-HpETE http://purl.obolibrary.org/obo/CHEBI_15629 3_STAR
CHEBI:156297 biolink:ChemicalSubstance EC 3.4.21.75 (furin) inhibitor An EC 3.4.21.* (serine endopeptidase) inhibitor that interferes with the action of furin (EC 3.4.21.75). Wikipedia:Furin phenio.json EC 3.4.21.75 (furin) inhibitors|EC 3.4.21.75 inhibitor|EC 3.4.21.75 inhibitors|PACE inhibitor|PACE inhibitors|PC1 inhibitor|PC1 inhibitors|SPC3 inhibitor|SPC3 inhibitors|dibasic processing enzyme inhibitor|dibasic processing enzyme inhibitors|furin convertase inhibitor|furin convertase inhibitors|furin inhibitor|furin inhibitors|paired basic amino acid cleaving enzyme inhibitor|paired basic amino acid cleaving enzyme inhibitors|paired basic amino acid converting enzyme inhibitor|paired basic amino acid converting enzyme inhibitors|prohormone convertase inhibitor|prohormone convertase inhibitors|proprotein convertase inhibitor|proprotein convertase inhibitors|serine proteinase PACE inhibitor|serine proteinase PACE inhibitors http://purl.obolibrary.org/obo/CHEBI_156297 3_STAR
CHEBI:15630 biolink:ChemicalSubstance (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid A hydroxy monocarboxylic acid consisting of icosa-5,9,14-trienoic acid having three hydroxy groups placed at the 8-, 11- and 12-positions. KEGG:C04843 phenio.json (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid|(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate|(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid http://purl.obolibrary.org/obo/CHEBI_15630 3_STAR
CHEBI:15631 biolink:ChemicalSubstance (5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic acid A C20 trienoic hydroxy fatty acid consisting of 8-hydroxyicosa-5,9,14-trienoic acid having an epoxy group at the 11,12-position. KEGG:C04849 phenio.json (5Z,9E)-8-hydroxy-10-{(2R,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,9-dienoic acid|(5Z,9E,14Z)-(8xi,11R,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid|(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyeicosa-5,9,14-trienoic acid|(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic acid http://purl.obolibrary.org/obo/CHEBI_15631 3_STAR
CHEBI:15632 biolink:ChemicalSubstance 5(S)-HPETE An icosatetraenoic acid in which the double bonds are located at the 6-7, 8-9, 11-12, and 14-15 positions and have E, Z, Z, and Z geometry, respectively, and in which the pro-S hydrogen is substituted by a hydroperoxy group. CAS:71774-08-8|HMDB:HMDB0011135|KEGG:C05356|LIPID_MAPS_instance:LMFA03060012|Reaxys:5282501 phenio.json (5S,6E,8Z,11Z,14Z)-5-Hydroperoxyicosa-6,8,11,14-tetraenoate|(5S,6E,8Z,11Z,14Z)-5-hydroperoxyeicosa-6,8,11,14-tetraenoic acid|(5S,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid|(6E,8Z,11Z,14Z)-(5S)-5-Hydroperoxyeicosa-6,8,11,14-tetraenoate|(6E,8Z,11Z,14Z)-(5S)-5-Hydroperoxyeicosa-6,8,11,14-tetraenoic acid|(S)-5-HPETE|5(S)-HPETE|5(S)-Hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoic acid|5(S)-hydroperoxy-6(E),8(Z),11(Z),14(Z)-eicosatetraenoic acid|5(S)-hydroxyperoxy-6E,8Z,11Z,14Z-eicosatetraenoic acid|5(S)-hydroxyperoxy-6E,8Z,11Z,14Z-icosatetraenoic acid|5-Hydroperoxy-6-trans-8,11,14-cis-eicosatetraenoate|5S-HpETE http://purl.obolibrary.org/obo/CHEBI_15632 3_STAR
CHEBI:15633 biolink:ChemicalSubstance dihydrofolic acid A folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid. It interacts with bacteria during cell division and is targeted by various drugs to prevent nucleic acid synthesis. CAS:4033-27-6|DrugBank:DB02015|KEGG:C00415|KNApSAcK:C00007248 phenio.json 7,8-Dihydrofolate|7,8-Dihydrofolic acid|7,8-Dihydropteroylglutamate|Dihydrofolate|Dihydrofolic acid|N-(4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid|N-(7,8-dihydropteroyl)-L-glutamic acid http://purl.obolibrary.org/obo/CHEBI_15633 3_STAR
CHEBI:15634 biolink:ChemicalSubstance 10-formyldihydrofolic acid The 10-formyl derivative of dihydrofolic acid. Beilstein:70909|CAS:28459-40-7|KEGG:C03204 phenio.json 10-Formyldihydrofolate|10-formyl-7,8-dihydrofolate|N-(10-formyl-7,8-dihydropteroyl)-L-glutamate|N-(4-{N-[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]formamido}benzoyl)-L-glutamic acid http://purl.obolibrary.org/obo/CHEBI_15634 3_STAR
CHEBI:15635 biolink:ChemicalSubstance (6S)-5,6,7,8-tetrahydrofolic acid A derivative of folic acid in which the pteridine ring is fully reduced; it is the parent compound of a variety of coenzymes that serve as carriers of one-carbon groups in metabolic reactions. Beilstein:101190|CAS:135-16-0|DrugBank:DB02031|KEGG:C00101|PDBeChem:THG phenio.json (6S)-5,6,7,8-TETRAHYDROFOLATE|(6S)-5,6,7,8-tetrahydrofolate|(6S)-5,6,7,8-tetrahydropteroylglutamate|(6S)-H4folate|(6S)-THFA|(6S)-Tetrahydrofolate|(6S)-Tetrahydrofolic acid|(6S)-tetrahydrofolate|5,6,7,8-Tetrahydrofolate|N-(5,6,7,8-tetrahydropteroyl)-L-glutamic acid|N-[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid|THF|Tetrahydrofolate|Tetrahydrofolic acid http://purl.obolibrary.org/obo/CHEBI_15635 3_STAR
CHEBI:15636 biolink:ChemicalSubstance (6R)-5,10-methylenetetrahydrofolate(2-) Beilstein:5468618 phenio.json (6R)-5,10-CH2-H4folate|(6R)-5,10-methylene-5,6,7,8-tetrahydrofolate|N-(5,10-methylene-5,6,7,8-tetrahydropteroyl)-L-glutamate|N-{4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamate http://purl.obolibrary.org/obo/CHEBI_15636 3_STAR
CHEBI:15637 biolink:ChemicalSubstance 10-formyltetrahydrofolic acid A form of tetrahydrofolate that acts as a donor of formyl groups in anabolism. In these reactions 10-formyltetrahydrofolic acid is used as a substrate in formyltransferase reactions, which is important in purine biosynthesis. Beilstein:101559|CAS:2800-34-2|FooDB:FDB022345|HMDB:HMDB0000972|KEGG:C00234|KNApSAcK:C00007251|PMID:1095054|PMID:13336106|PMID:13672973|PMID:9833324 phenio.json 10-FTHF|10-Formyltetrahydrofolate|10-HCO-H4folic acid|10-formyl-(6RS)-tetrahydrofolic acid|10-formyl-5,6,7,8-tetrahydrofolic acid|10-formyl-THF|10-formyltetrahydropteroylglutamic acid|N(10)-formyl-5,6,7,8-tetrahydrofolic acid|N(10)-formyl-THF|N(10)-formyltetrahydrofolic acid|N-(10-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid|N-(4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl](formyl)amino}benzoyl)-L-glutamic acid http://purl.obolibrary.org/obo/CHEBI_15637 3_STAR
CHEBI:156377 biolink:ChemicalSubstance GP369 An FGFR2-IIIb isoform-specific monoclonal antibody used in cancer patients with aberrantly activated/amplified FGFR2 signaling phenio.json http://purl.obolibrary.org/obo/CHEBI_156377 2_STAR
CHEBI:156379 biolink:ChemicalSubstance paraherquonin Published in DOI:10.1016/S0040-4039(00)88109-5 phenio.json http://purl.obolibrary.org/obo/CHEBI_156379 2_STAR
CHEBI:15638 biolink:ChemicalSubstance (6R)-5,10-methenyltetrahydrofolic acid The 5,10-methenyl derivative of tetrahydrofolic acid arising from enzymatic cyclisation of 5-formyltetrahydrofolic acid. Beilstein:6184059|CAS:7444-29-3|KEGG:C00445|KNApSAcK:C00019687 phenio.json (6R)-5,10-CH(+)-H4folate|5,10-Methenyltetrahydrofolate|5,10-methenyltetrahydropteroylglutamate|Anhydroleucovorin|N-{4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]benzoyl}-L-glutamic acid http://purl.obolibrary.org/obo/CHEBI_15638 3_STAR
CHEBI:15639 biolink:ChemicalSubstance 5-formimidoyltetrahydrofolic acid The 5-formimidoyl derivative of tetrahydrofolic acid. KEGG:C00664 phenio.json (6R)-5-formiminotetrahydrofolate|5-Formimidoyltetrahydrofolate|5-Formiminotetrahydrofolate|5-formiminotetrahydrofolate|N-(5-formimidoyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid|N-[4-({[(6S)-2-amino-5-formimidoyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid|[(6S)-5-formimidoyl-5,6,7,8-tetrahydropteroyl]glutamate http://purl.obolibrary.org/obo/CHEBI_15639 3_STAR
CHEBI:15640 biolink:ChemicalSubstance 5-formyltetrahydrofolic acid A formyltetrahydrofolic acid in which the formyl group is located at position 5. CAS:58-05-9|DrugBank:DB03256|Drug_Central:1232|KEGG:C03479|KEGG:D07986|LINCS:LSM-5146|Reaxys:101688|Wikipedia:Folinic_acid phenio.json (5-formyl-5,6,7,8-tetrahydropteroyl)glutamate|10-Formyl-7,8-dihydrofolic acid|5-Formyl-5,6,7,8-tetrahydrofolic acid|5-Formyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid|5-Formyltetrahydrofolate|Acide folinique|Folinic acid|L(-)-5-Formyl-5,6,7,8-tetrahydrofolic acid|Leucovorin|Leucovorinum|N-(5-formyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid|N-[4-({[2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid|N5-Formyl-5,6,7,8-tetrahydrofolic acid|N5-Formyltetrahydrofolic acid|folinate http://purl.obolibrary.org/obo/CHEBI_15640 3_STAR
CHEBI:15641 biolink:ChemicalSubstance 5-methyltetrahydrofolic acid A tetrahydrofolic acid that is 5,6,7,8-tetrahydrofolic acid substituted by a methyl group at position 5. AGR:IND606335060|CAS:134-35-0|Chemspider:8001181|DrugBank:DB04789|FooDB:FDB022600|HMDB:HMDB0001396|KEGG:C00440|KNApSAcK:C00007252|PMID:10993519|PMID:11816560|PMID:15094208|PMID:15173401|PMID:15717023|PMID:16310391|PMID:16429378|PMID:1683972|PMID:17176169|PMID:18160726|PMID:1969014|PMID:2445472|PMID:32170863|PMID:34311437|PMID:34886014|PMID:6609768|PMID:8031869|PMID:8613033|PMID:9101216|PMID:9870205 phenio.json 5-methyl-5,6,7,8-tetrahydrofolate|5-methyl-5,6,7,8-tetrahydrofolic acid|5-methyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid|5-methyl-THF|5-methyltetrahydrofolate|5-methyltetrahydropteroylglutamic acid|N(5)-methyl-tetrahydrofolate|N(5)-methyl-tetrahydrofolic acid|N(5)-methyltetrahydrofolic acid|N-(4-{[(2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid|N-(5-methyl-5,6,7,8-tetrahydropteroyl)-L-glutamic acid|N-methyltetrahydrofolate|N-methyltetrahydrofolic acid http://purl.obolibrary.org/obo/CHEBI_15641 3_STAR
CHEBI:15642 biolink:ChemicalSubstance 4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin A 4a-hydroxytetrahydrobiopterin which has R configuration at position 6 and in which the dihydroxypropyl substituent has L-erythro configuration. KEGG:C15522|MetaCyc:CPD-5881 phenio.json (4aS,6R)-4a-hydroxy-L-erythro-5,6,7,8-tetrahydrobiopterin|(6R)-2-amino-6-[(1S,2R)-1,2-dihydroxypropyl]-4a-hydroxy-5,6,7,8-tetrahydropteridin-4(4aH)-one|(6R)-6-(L-erythro-1,2-dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin http://purl.obolibrary.org/obo/CHEBI_15642 3_STAR
CHEBI:156439 biolink:ChemicalSubstance (R)-2-methylbutanoyl-CoA(4-) A 2-methylbutanoyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of (R)-2-methylbutanoyl-CoA; major species at pH 7.3. PMID:6874697 phenio.json (2R)-2-methylbutanoyl-CoA http://purl.obolibrary.org/obo/CHEBI_156439 2_STAR
CHEBI:15645 biolink:ChemicalSubstance (6S)-6-hydroxyhyoscyamine KEGG:C03325 phenio.json (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate|(3S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate|(6S)-6-Hydroxyhyoscyamine|(6S)-6-hydroxyhyoscyamine|(6S)-Hydroxyhyoscyamine|(6S)-hydroxyhyoscyamine http://purl.obolibrary.org/obo/CHEBI_15645 3_STAR
CHEBI:15646 biolink:ChemicalSubstance 20-hydroxy-leukotriene B4 The 20-hydroxy derivative of leukotriene B4. HMDB:HMDB0001509|KEGG:C04853|LIPID_MAPS_instance:LMFA03020018|PMID:3000366|PMID:8382231|PMID:8609415 phenio.json (5S,6Z,8E,10E,12R,14Z)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid|(6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyeicosa-6,8,10,14-tetraenoate|(6Z,8E,10E,14Z)-(5S,12R)-5,12,20-Trihydroxyicosa-6,8,10,14-tetraenoate|20-Hydroxy-leukotriene B4|20-OH-LTB4|20-OH-Leukotriene B4|20-hydroxy-LTB4 http://purl.obolibrary.org/obo/CHEBI_15646 3_STAR
CHEBI:156460 biolink:ChemicalSubstance novofumigatonin PMID:18179222|PMID:29968715 phenio.json novofumigatonin http://purl.obolibrary.org/obo/CHEBI_156460 2_STAR
CHEBI:156461 biolink:ChemicalSubstance 5'-(N(7)-methyl 5'-triphosphoguanosine)-ribonucleoside(2-) residue A 7-methyl guanosine (m7G) linked via an inverted 5'-5' triphosphate bridge to an initiating ribonucleoside phenio.json a 5'-(N(7)-methyl 5'-triphosphoguanosine)-ribonucleoside residue|m7GpppN residue http://purl.obolibrary.org/obo/CHEBI_156461 2_STAR
CHEBI:156467 biolink:ChemicalSubstance thiosemicarbazone A hydrazone resulting from the formal condensation of an aldehyde or ketone with the non-thioacylated nitrogen of thiosemicarbazide or its substituted derivatives. Wikipedia:Thiosemicarbazone phenio.json thiosemicarbazone derivative|thiosemicarbazone derivatives|thiosemicarbazones http://purl.obolibrary.org/obo/CHEBI_156467 3_STAR
CHEBI:15647 biolink:ChemicalSubstance leukotriene B4 A leukotriene composed of (6Z,8E,10E,14Z)-icosatetraenoic acid having (5S)- and (12R)-hydroxy substituents. It is a lipid mediator of inflammation that is generated from arachidonic acid via the 5-lipoxygenase pathway. CAS:71160-24-2|Chemspider:4444132|DrugBank:DB12961|HMDB:HMDB0001085|KEGG:C02165|KNApSAcK:C00053425|LIPID_MAPS_instance:LMFA03020001|PDBeChem:LTB|PMID:10087000|PMID:10391868|PMID:10695938|PMID:11166796|PMID:11254552|PMID:12709426|PMID:12742837|PMID:12947016|PMID:1327049|PMID:1333134|PMID:1335872|PMID:1338371|PMID:15016629|PMID:15515787|PMID:16567388|PMID:1661709|PMID:17481557|PMID:17548641|PMID:17623009|PMID:1847289|PMID:20400503|PMID:20529300|PMID:20671299|PMID:23625922|PMID:32439596|PMID:32960415|PMID:33292560|PMID:33612149|PMID:6271967|PMID:7924852|PMID:8243477|PMID:8382716|PMID:8397308|PMID:9209678|PMID:9516893|PMID:9606840|Reaxys:4235309|Wikipedia:Leukotriene_B4 phenio.json (5S,12R,6Z,8E,10E,14Z)-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid|(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyeicosa-6,8,10,14-tetraenoic acid|(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid|(S-(R*,S*-(E,Z,E,Z)))-5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid|5(S),12(R)-dihydroxy-6(Z),8(E),10(E),14(Z)-eicosatetraenoic acid|5(S),12(R)-dihydroxy-6(Z),8(E),10(E),14(Z)-icosatetraenoic acid|5,12-Dihete|5,12-Hete|5S,12R-diHETE|5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid|LTB4|Leukotriene B4 http://purl.obolibrary.org/obo/CHEBI_15647 3_STAR
CHEBI:156473 biolink:ChemicalSubstance cyclobutanes Cyclobutane and its derivatives formed by substitution. phenio.json http://purl.obolibrary.org/obo/CHEBI_156473 3_STAR
CHEBI:15648 biolink:ChemicalSubstance (6aR,11aR)-3,9-dihydroxypterocarpan CAS:61135-91-9|KEGG:C04271 phenio.json (6AR,11AR)-3,9-dihydroxypterocarpan|(6aR,11aR)-3,9-Dihydroxypterocarpan|(6aR,11aR)-3,9-dihydroxypterocarpan|(6aR,11aR)-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromene-3,9-diol|(6aR-cis)-6a,11a-Dihydro-6H-benzofuro(3,2-c)(1)benzopyran-3,9-diol http://purl.obolibrary.org/obo/CHEBI_15648 3_STAR
CHEBI:15649 biolink:ChemicalSubstance 3,6,9-trihydroxypterocarpan A member of the class of pterocarpans carrying three hydroxy substituents at positions 3, 6a and 9. CAS:69393-95-9|HMDB:HMDB0034105|KEGG:C01263|KNApSAcK:C00002532|LIPID_MAPS_instance:LMPK12070128|MetaCyc:6AS11AS-36A9-TRIHYDROXYPTEROCARPAN|PMID:16250441|PMID:16661917|PMID:16663042|PMID:19116342|PMID:19943626|PMID:21667928|Reaxys:1259301 phenio.json (-)-Glycinol|(6aS,11aS)-3,6a,9-Trihydroxypterocarpan|(6aS,11aS)-3,6a,9-trihydroxypterocarpan|(6aS,11aS)-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromene-3,6a,9-triol|(6aS-cis)-6H-Benzofuro(3,2-c)(1)benzopyran-3,6a,9(11aH)-triol|(6alphaS,11alphaS)-3,6alpha,9-trihydroxypterocarpan|3,6,9-Trihydroxypterocarpan|6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol|Glycinol http://purl.obolibrary.org/obo/CHEBI_15649 3_STAR
CHEBI:156498 biolink:ChemicalSubstance rohitukine A member of the class of chromones that is 4H-chromen-4-one in which the hydrogens at positions 2,5,7 and 8 are replaced by methyl, hydroxy, hydroxy, and (3S,4R)-3-hydroxy-1-methylpiperidin-4-yl groups, respectively. It is an alkaloid initially isolated from Amoora rohituka and is a precursor of the anti-cancer compound flavopiridol. AGR:IND20371019|CAS:71294-60-5|KNApSAcK:C00048080|PMID:17963866|PMID:19686817|PMID:19757855|PMID:21898150|PMID:22113419|PMID:24215673|PMID:24646949|PMID:24677095|PMID:24840406|PMID:25243649|PMID:25472605|PMID:25799183|PMID:26405812|PMID:27362422|PMID:27363938|PMID:27422078|PMID:29370702|PMID:30665042|PMID:31513869|PMID:32165175|Patent:CN101139344 phenio.json 5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-2-methyl-4H-1-benzopyran-4-one|5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-2-methyl-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_156498 3_STAR
CHEBI:15650 biolink:ChemicalSubstance leukotriene E4 A leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and an L-cystein-S-yl group at position 6 (6R). CAS:75715-89-8|KEGG:C05952|LIPID_MAPS_instance:LMFA03020002|PMID:19291727 phenio.json (5S,6R,7E,9E,11Z,14Z)-6-(L-cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoic acid|(5S-(5R*,6S*(S*),7E,9E,11Z,14Z))-6-((2-Amino-2-carboxyethyl)thio)-5-hydroxy-7,9,11,14-eicosatetraenoic acid|(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraenoate|(7E,9E,11Z,14Z)-(5S,6R)-6-(Cystein-S-yl)-5-hydroxyicosa-7,9,11,14-tetraenoate|5S-hydroxy,6R-(S-cysteinyl),7E,9E,11Z,14Z-eicosatetraenoic acid|LTE4|Leukotriene E4|S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine http://purl.obolibrary.org/obo/CHEBI_15650 3_STAR
CHEBI:15651 biolink:ChemicalSubstance leukotriene A4 A leukotriene that is the (5S,6S)-epoxy derivative of (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid. CAS:72059-45-1|HMDB:HMDB0001337|KEGG:C00909|KNApSAcK:C00053424|LIPID_MAPS_instance:LMFA03020023|PDBeChem:DJ3|PMID:1667967|PMID:19531649|PMID:20120015|PMID:22913921|PMID:28827365|PMID:33896285|PMID:8017792|Reaxys:5756170|Wikipedia:Leukotriene_A4 phenio.json (5S,6S,7E,9E,11Z,14Z)-5,6-epoxyicosa-7,9,11,14-tetraenoic acid|(7E,9E,11Z,14Z)-(5S,6S)-5,6-epoxyeicosa-7,9,11,14-tetraenoic acid|5(S)-5,6-oxido-7,9-trans-11,14-cis-eicosatetraenoic acid|5S,6S-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid|5S,6S-leukotriene A4|LTA4|Leukotriene A4|Oxiranebutanoic acid, 3-(1,3,5,8-tetradecatetraenyl)-, (2S-(2alpha,3beta(1E,3Z,5Z,8Z)))- http://purl.obolibrary.org/obo/CHEBI_15651 3_STAR
CHEBI:15652 biolink:ChemicalSubstance 5'-xanthylic acid A purine ribonucleoside 5'-monophosphate having xanthine as the nucleobase. CAS:523-98-8|KEGG:C00655|KNApSAcK:C00007396|PDBeChem:XMP|PMID:13563457|PMID:18303855|PMID:24130159|Reaxys:59853 phenio.json (9-D-Ribosylxanthine)-5'-phosphate|(9-D-ribosylxanthine)-5'-phosphate|5'-xanthylic acid|XMP|Xanthosine 5'-phosphate|Xanthylic acid|xanthosine monophosphate http://purl.obolibrary.org/obo/CHEBI_15652 3_STAR
CHEBI:15653 biolink:ChemicalSubstance (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid A long-chain trienoic fatty acid consisting of octadecanoic acid having the three double bonds at positions 9, 11 and 15 as well as an epoxy ring linking positions 12 and 13. KEGG:C04672|LIPID_MAPS_instance:LMFA02000053|MetaCyc:CPD-728 phenio.json (9Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate|(9Z)-11-{(3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-ylidene}undec-9-enoic acid|(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate|(9Z,15Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoic acid|12,13(S)-EOT|12,13(S)-EOTrE|12,13(S)-epoxy-9(Z),11,15(Z)-octadecatrienoic acid|12,13(S)-epoxylinolenic acid|12,13-EOT http://purl.obolibrary.org/obo/CHEBI_15653 3_STAR
CHEBI:156536 biolink:ChemicalSubstance oligoglycosyl-(1->4)-D-glucose Any oligosaccharide having a beta-D-glucose residue at the reducing end. phenio.json an oligoglycosyl-(1->4)-D-glucose http://purl.obolibrary.org/obo/CHEBI_156536 2_STAR
CHEBI:156548 biolink:ChemicalSubstance kainate(1-) A dicarboxylate resulting from deprotonation of both carboxy groups of kainic acid, and protonation of its amine group. Major species at pH 7.3. MetaCyc:CPD-22470|PMID:16847640|PMID:30995339 phenio.json kainate http://purl.obolibrary.org/obo/CHEBI_156548 2_STAR
CHEBI:15655 biolink:ChemicalSubstance 13(S)-HPODE The (S)-enantiomer of 13-HPODE CAS:33964-75-9|HMDB:HMDB0003871|KEGG:C04717|KNApSAcK:C00000394|LIPID_MAPS_instance:LMFA02000034|Reaxys:3592723 phenio.json (9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoate|(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic acid|(9Z,11E,13S)-13-hydroperoxyoctadeca-9,11-dienoic acid|13(S)-HPODE|13S-Hydroperoxy-9Z,11E-octadecadienoic acid http://purl.obolibrary.org/obo/CHEBI_15655 3_STAR
CHEBI:156557 biolink:ChemicalSubstance beraprost(1-) A monocarboxylic acid anion that is conjugate base of beraprost, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3. phenio.json 4-{(1R,2R,3aS,8bS)-2-hydroxy-1-[(1E,3S)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl]-2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan-5-yl}butanoate|beraprost anion http://purl.obolibrary.org/obo/CHEBI_156557 3_STAR
CHEBI:15657 biolink:ChemicalSubstance (11S)-11-hydroperoxylinoleic acid The 11-hydroperoxy derivative of linoleic acid having (S)-configuration. KEGG:C07338|LIPID_MAPS_instance:LMFA01040068 phenio.json (9Z,11S,12Z)-11-hydroperoxyoctadeca-9,12-dienoic acid|(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoate|(9Z,12Z)-(11S)-11-Hydroperoxyoctadeca-9,12-dienoic acid http://purl.obolibrary.org/obo/CHEBI_15657 3_STAR
CHEBI:156573 biolink:ChemicalSubstance (R)-toloxatone The (R)-enantiomer of toloxatone. CAS:148278-79-9 phenio.json (5R)-5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one|R-toloxatone http://purl.obolibrary.org/obo/CHEBI_156573 3_STAR
CHEBI:156574 biolink:ChemicalSubstance (S)-toloxatone The (S)-enantiomer of toloxatone. phenio.json (5S)-5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one|S-toloxatone http://purl.obolibrary.org/obo/CHEBI_156574 3_STAR
CHEBI:156575 biolink:ChemicalSubstance 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one A member of the class of oxazolidinones that is 5-(hydroxymethyl)-1,3-oxazolidin-2-one substituted by a 3-methylphenyl group at position 3. phenio.json 5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one|5-(hydroxymethyl)-3-(3-methylphenyl)-2-oxazolidinone|5-hydroxymethyl-3-(m-tolyl)-2-oxazolidinone http://purl.obolibrary.org/obo/CHEBI_156575 3_STAR
CHEBI:156576 biolink:ChemicalSubstance (1R,2S)-ritodrine phenio.json http://purl.obolibrary.org/obo/CHEBI_156576 1_STAR
CHEBI:156577 biolink:ChemicalSubstance (1S,2R)-ritodrine A 4-[2-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol that has (1S,2R)-configuration. PMID:23954364 phenio.json (+)-erythro-1-(p-hydroxyphenyl)-2-[2-(p-hydroxyphenyl)ethylamino]-1-propanol|(+)-ritodrine|(1S,2R)-2-(4-hydroxyphenethylamino)-1-(4-hydroxyphenyl)-1-propanol|4-[(1S,2R)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol http://purl.obolibrary.org/obo/CHEBI_156577 3_STAR
CHEBI:15658 biolink:ChemicalSubstance 7(S),8(S)-DiHODE A dihydroxy monocarboxylic acid that is the 7(S),8(S)-dihydroxy derivative of linoleic acid. KEGG:C07354|LIPID_MAPS_instance:LMFA01050344|PMID:8117115|PMID:8662736|PMID:9694817 phenio.json (7S,8S)-DiHODE|(7S,8S)-dihydroxylinoleic acid|(7S,8S,9Z,12Z)-7,8-dihydroxyoctadeca-9,12-dienoic acid|(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoate|(9Z,12Z)-(7S,8S)-Dihydroxyoctadeca-9,12-dienoic acid http://purl.obolibrary.org/obo/CHEBI_15658 3_STAR
CHEBI:15659 biolink:ChemicalSubstance (E)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide KEGG:C04621 phenio.json (2E)-2-(2-furyl)-3-(5-nitro-2-furyl)prop-2-enamide|(E)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide|(E)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide http://purl.obolibrary.org/obo/CHEBI_15659 3_STAR
CHEBI:15660 biolink:ChemicalSubstance (Z)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide A member of the class of acrylamides that is acrylamide which is substituted at positions 2 and 3 by 2-furyl and 5-nitro-2-furyl groups, respectively (the trans isomer). Formerly used as a food preservative, it was withdrawn from the market following suspicions of carcenogenicity. CAS:3688-53-7|KEGG:C04622|KEGG:C19558|KEGG:D02528|Wikipedia:Furylfuramide phenio.json (2Z)-2-(2-furyl)-3-(5-nitro-2-furyl)prop-2-enamide|(Z)-2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide|(Z)-2-(2-furyl)-3-(5-nitro-2-furyl)acrylamide|2-(2-Furyl)-3-(5-nitro-2-furyl)acrylamide|AF 2|AF-2|Furylfuramide http://purl.obolibrary.org/obo/CHEBI_15660 3_STAR
CHEBI:15661 biolink:ChemicalSubstance (2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid The 2-(methoxycarbonylmethyl) derivative of fumaric acid. KEGG:C11515|PDBeChem:T8N phenio.json (2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid|(E)-2-(Methoxycarbonylmethyl)butenedioate http://purl.obolibrary.org/obo/CHEBI_15661 3_STAR
CHEBI:15663 biolink:ChemicalSubstance (2E)-3-(methoxycarbonyl)pent-2-enedioic acid The 2-(methoxycarbonyl) derivative of (Z)-glutaconic acid. KEGG:C11514 phenio.json (2E)-3-(methoxycarbonyl)pent-2-enedioic acid|(E)-3-(Methoxycarbonyl)pent-2-enedioate http://purl.obolibrary.org/obo/CHEBI_15663 3_STAR
CHEBI:15664 biolink:ChemicalSubstance (2E)-4-hydroxy-3-methylbut-2-en-1-yl diphosphate A prenol phosphate comprising (2E)-4-hydroxy-3-methylbut-2-en-1-ol having an O-diphosphate substituent. KEGG:C11811|KNApSAcK:C00007567|PDBeChem:H6P|PMID:12203549|PMID:12646635|PMID:19919056|PMID:23872678|Reaxys:9060574 phenio.json (2E)-4-hydroxy-3-methylbut-2-en-1-yl pyrophosphate|(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate|(E)-4-Hydroxy-3-methyl-but-2-enyl diphosphate|(E)-4-Hydroxy-3-methylbut-2-en-1-yl diphosphate|(E)-4-Hydroxy-3-methylbut-2-enyl diphosphate|(E)-4-hydroxy-3-methyl-2-buten-1-yl diphosphate|(E)-4-hydroxy-3-methyl-2-buten-1-yl pyrophosphate|(E)-4-hydroxy-3-methylbut-2-enyl pyrophosphate|1-Hydroxy-2-methyl-2-butenyl 4-diphosphate|1-hydroxy-2-methylbut-2(E)-en-4-yl diphosphate|1-hydroxy-2-methylbut-2(E)-en-4-yl pyrophosphate|HMBPP http://purl.obolibrary.org/obo/CHEBI_15664 3_STAR
CHEBI:15665 biolink:ChemicalSubstance (4-hydroxyphenyl)acetaldehyde oxime CAS:23745-82-6|KNApSAcK:C00018213|PMID:10415119|PMID:10759528|PMID:10938360|PMID:12818674|PMID:26548317|PMID:28795267|PMID:35088406|PMID:572359|PMID:7012151|PMID:7358727|PMID:7574710|PMID:9484480 phenio.json (4-hydroxyphenyl)acetaldehyde oxime|4-Hydroxyphenylacetaldehyde oxime|4-Hydroxyphenylacetaldoxime|4-hydroxybenzeneacetaldehyde, oxime|4-hydroxyphenylacetaldehyde oxime|p-hydroxyphenylacetaldoxime|para-hydroxyphenylacetaldoxime http://purl.obolibrary.org/obo/CHEBI_15665 3_STAR
CHEBI:15666 biolink:ChemicalSubstance (E)-(4-hydroxyphenyl)acetaldehyde oxime KEGG:C04350 phenio.json (1E)-(4-hydroxyphenyl)acetaldehyde oxime|(E)-4-Hydroxyphenylacetaldehyde-oxime|(E)-4-hydroxyphenylacetaldehyde oxime http://purl.obolibrary.org/obo/CHEBI_15666 3_STAR
CHEBI:15668 biolink:ChemicalSubstance (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid A 4-oxo derivative of but-1-ene-1,2,4-tricarboxylic acid with (E)-stereochemistry about the C=C bond. CAS:85179-60-8|KEGG:C04434 phenio.json (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid|(E)-4-Oxobut-1-ene-1,2,4-tricarboxylate|(E)-4-oxobut-1-ene-1,2,4-tricarboxylate|4-Oxalmesaconic acid|4-Oxalomesaconate http://purl.obolibrary.org/obo/CHEBI_15668 3_STAR
CHEBI:15669 biolink:ChemicalSubstance trans-cinnamate Beilstein:3904521|Gmelin:328658|KEGG:C00423 phenio.json (2E)-3-phenylprop-2-enoate|(E)-cinnamate|trans-cinnamate http://purl.obolibrary.org/obo/CHEBI_15669 3_STAR
CHEBI:15670 biolink:ChemicalSubstance (E)-glutaconic acid The (E)-isomer of glutaconic acid. CAS:628-48-8|HMDB:HMDB0000620|KEGG:C02214|LIPID_MAPS_instance:LMFA01170109|MetaCyc:GLUTACONATE|Reaxys:1722686|Wikipedia:Glutaconic_acid phenio.json (2E)-pent-2-enedioic acid|(E)-Glutaconate|(E)-glutaconic acid|Glutaconic acid|trans-Glutaconate|trans-Glutaconic acid http://purl.obolibrary.org/obo/CHEBI_15670 3_STAR
CHEBI:15671 biolink:ChemicalSubstance L-tartaric acid The L-enantiomer of tartaric acid. Beilstein:1725147|Beilstein:4231301|CAS:526-83-0|CAS:87-69-4|Drug_Central:2566|Gmelin:82690|KEGG:C00898|PDBeChem:TLA phenio.json (+)-(R,R)-tartaric acid|(+)-L-tartaric acid|(+)-Tartaric acid|(+)-Weinsaeure|(+)-tartaric acid|(2R,3R)-2,3-Dihydroxybernsteinsaeure|(2R,3R)-2,3-dihydroxybutanedioic acid|(2R,3R)-2,3-dihydroxysuccinic acid|(2R,3R)-Tartaric acid|(2R,3R)-tartaric acid|(R,R)-(+)-tartaric acid|(R,R)-Tartaric acid|L(+)-TARTARIC ACID|L-Tartaric acid|L-threaric acid|Rechtsweinsaeure|Weinsteinsaeure http://purl.obolibrary.org/obo/CHEBI_15671 3_STAR
CHEBI:15672 biolink:ChemicalSubstance D-tartaric acid The D-enantiomer of tartaric acid. Beilstein:4666810|CAS:147-71-7|DrugBank:DB01694|FooDB:FDB001110|Gmelin:50225|HMDB:HMDB0029878|KEGG:C02107|PDBeChem:TAR|PMID:34378325|PMID:36274712|PMID:36296249|PMID:37068187|PMID:37375278|PMID:37524461|PMID:38109287|PMID:38958572|PMID:39006392|PMID:39181416|Reaxys:1725145 phenio.json (-)-(S,S)-tartaric acid|(-)-D-tartaric acid|(-)-Tartaric acid|(-)-Weinsaeure|(-)-tartaric acid|(2S,3S)-(-)-tartaric acid|(2S,3S)-2,3-dihydroxybutanedioic acid|(2S,3S)-2,3-dihydroxysuccinic acid|(2S,3S)-tartaric acid|(S,S)-(-)-tartaric acid|(S,S)-tartaric acid|D(-)-TARTARIC ACID|D-(-)-tartaric acid|D-Tartaric acid|D-threaric acid|Linksweinsaeure http://purl.obolibrary.org/obo/CHEBI_15672 3_STAR
CHEBI:15673 biolink:ChemicalSubstance meso-tartaric acid A 2,3-dihydroxybutanedioic acid that has meso configuration. Beilstein:1725146|Beilstein:4666811|CAS:147-73-9|DrugBank:DB14756|Gmelin:3214|KEGG:C00552|PDBeChem:SRT|PMID:10614067|PMID:17061893|PMID:18641452|PMID:38740717|Patent:MX2011012689 phenio.json (2R,3S)-2,3-dihydroxybutanedioic acid|(2R,3S)-2,3-dihydroxysuccinic acid|(2R,3S)-rel-2,3-dihydroxybutanedioic acid|(2R,3S)-tartaric acid|(R*,S*)-2,3-dihydroxybutanedioic acid|Mesoweinsaeure|S,R MESO-TARTARIC ACID|erythraric acid|i-tartaric acid|internally compensated tartaric acid|m-tartaric acid|meso-Tartaric acid|meso-tartaric acid|mesotartaric acid|unresolvable tartaric acid http://purl.obolibrary.org/obo/CHEBI_15673 3_STAR
CHEBI:15674 biolink:ChemicalSubstance 2,3-dihydroxybutanedioic acid A tetraric acid that is butanedioic acid substituted by hydroxy groups at positions 2 and 3. CAS:526-83-0|Wikipedia:Tartaric_Acid phenio.json 2,3-dihydroxybutanedioic acid|2,3-dihydroxysuccinic acid|tartaric acid (unspecified stereochemistry) http://purl.obolibrary.org/obo/CHEBI_15674 3_STAR
CHEBI:15675 biolink:ChemicalSubstance (2R)-1-aminopropan-2-ol A 1-aminopropan-2-ol that has R-configuration. CAS:2799-16-8|KEGG:C03194|PDBeChem:FOP|Reaxys:1718869 phenio.json (2R)-(-)-2-hydroxypropylamine|(2R)-(-)-hydroxypropylamine|(2R)-1-aminopropan-2-ol|(R)-(-)-1-amino-2-propanol|(R)-(-)-1-aminopropan-2-ol|(R)-1-Amino-2-propanol|(R)-1-Aminopropan-2-ol|(R)-1-amino-2-propanol|(R)-1-aminopropan-2-ol http://purl.obolibrary.org/obo/CHEBI_15675 3_STAR
CHEBI:15676 biolink:ChemicalSubstance allantoin An imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen. CAS:97-59-6|Drug_Central:4268|HMDB:HMDB0000462|KEGG:C01551|KEGG:D00121|KNApSAcK:C00007468|LINCS:LSM-5190|MetaCyc:ALLANTOIN|PMID:11157020|PMID:14619112|PMID:17190852|Patent:US2158098|Reaxys:83514|Wikipedia:Allantoin phenio.json (2,5-Dioxo-4-imidazolidinyl)urea|2,5-Dioxo-4-imidazolidinyl-urea|4-ureido-2,5-imidazolidinedione|5-Ureido-2,4-imidazolidindione|5-Ureidohydantoin|Allantoin|Glyoxyldiureide|N-(2,5-Dioxo-4-imidazolidinyl)urea|N-(2,5-dioxoimidazolidin-4-yl)urea|allantoin http://purl.obolibrary.org/obo/CHEBI_15676 3_STAR
CHEBI:15677 biolink:ChemicalSubstance (R)-(-)-allantoin An optically active form of allantoin having (R)-(-)-configuration. KEGG:C02348|MetaCyc:R--ALLANTOIN|Reaxys:83512 phenio.json (R)(-)-Allantoin|(R)-Allantoin|(R)-allantoin|N-[(4R)-2,5-dioxoimidazolidin-4-yl]urea http://purl.obolibrary.org/obo/CHEBI_15677 3_STAR
CHEBI:15678 biolink:ChemicalSubstance (S)-(+)-allantoin An optically active form of allantoin having (S)-(+)-configuration. KEGG:C02350|MetaCyc:S-ALLANTOIN|PDBeChem:3AL|Reaxys:83513 phenio.json (S)(+)-Allantoin|(S)-Allantoin|(S)-allantoin|N-[(4S)-2,5-dioxoimidazolidin-4-yl]urea http://purl.obolibrary.org/obo/CHEBI_15678 3_STAR
CHEBI:15681 biolink:ChemicalSubstance alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide A sialodiosylceramide consisting of the trisaccharide alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide. KEGG:C04730|KEGG:G00108|LIPID_MAPS_instance:LMSP0601AJ00|PMID:11093705|PMID:11164910|PMID:11534772|PMID:12950986|PMID:1371229|PMID:1379980|PMID:15102521|PMID:15385432|PMID:15546874|PMID:1567198|PMID:15939439|PMID:16212238|PMID:16341241|PMID:16574813|PMID:167132|PMID:1724444|PMID:19364317|PMID:21149694|PMID:2303428|PMID:2448252|PMID:2449247|PMID:2714813|PMID:2775195|PMID:3392043|PMID:3864442|PMID:7534889|PMID:7693874|PMID:8448384|PMID:8496625|PMID:9375803 phenio.json (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|(Gal)1 (Glc)1 (Neu5Ac)1 (Cer)1|(N-Acetylneuraminyl)-D-galactosyl-D-glucosylceramide|(Neu5Ac)GM3|GM3|GM3 (NeuAc)|Hematoside|N-Acetylneuraminyl-2,3-alpha-D-galactosyl-1,4-beta-D-glucosylceramide|Neu5Ac-alpha2->3Gal-beta1->4Glc-beta1->1'Cer|Neu5Acalpha2->3Galbeta1->4Glcbeta-Cer|NeuAc-GM3|NeuAcalpha2-3Galbeta1-4Glcbeta1-1'Cer|NeuAcalpha2->3Galbeta1->4Glc-Cer|alpha-N-Acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide|alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide|alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramides|alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer|alpha-Neu5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer|ganglioside GM3|monosialoganglioside GM3 http://purl.obolibrary.org/obo/CHEBI_15681 3_STAR
CHEBI:15682 biolink:ChemicalSubstance (N(omega)-L-arginino)succinic acid CAS:2387-71-5|KEGG:C03406|KNApSAcK:C00019688 phenio.json 2-(N(omega)-L-arginino)butanedioic acid|2-(Nomega-L-Arginino)succinate|L-Argininosuccinate|L-Argininosuccinic acid|L-Arginosuccinic acid|L-argininosuccinate|L-argininosuccinic acid|L-arginosuccinic acid|N(omega)-(L-Arginino)succinate|N(omega)-(L-arginino)succinate|N-(L-Arginino)succinate|N-(L-arginino) succinate http://purl.obolibrary.org/obo/CHEBI_15682 3_STAR
CHEBI:15683 biolink:ChemicalSubstance (R)-10-hydroxyoctadecanoate A hydroxy monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of (R)-10-hydroxyoctadecanoic acid. KEGG:C03195 phenio.json (10R)-10-hydroxyoctadecanoate|(R)-10-hydroxyoctadecanoate|(R)-10-hydroxystearate http://purl.obolibrary.org/obo/CHEBI_15683 3_STAR
CHEBI:15684 biolink:ChemicalSubstance (R)-2,3-dihydroxy-3-methylbutanoic acid Beilstein:1722372|KEGG:C04272 phenio.json (2R)-2,3-dihydroxy-3-methylbutanoic acid|(R)-2,3-Dihydroxy-isovaleric acid http://purl.obolibrary.org/obo/CHEBI_15684 3_STAR
CHEBI:15685 biolink:ChemicalSubstance L-2-succinylamino-6-oxoheptanedioate(3-) KEGG:C04462 phenio.json (2S)-2-(3-carboxylatopropanamido)-6-oxoheptanedioate|(S)-2-succinylamino-6-oxoheptanedioate|N-succinyl-L-2-amino-6-oxoheptanedioate|N-succinyl-L-2-amino-6-oxopimelate http://purl.obolibrary.org/obo/CHEBI_15685 3_STAR
CHEBI:15686 biolink:ChemicalSubstance (R)-acetoin CAS:513-86-0|CAS:53584-56-8|KEGG:C00810 phenio.json (3R)-3-hydroxybutan-2-one|(R)-2-Acetoin|(R)-2-acetoin|(R)-3-Hydroxy-2-butanone|(R)-3-Hydroxybutan-2-one|(R)-3-hydroxy-2-butanone|(R)-3-hydroxybutan-2-one|(R)-Acetoin|(R)-Dimethylketol|(R)-acetoin|(R)-dimethylketol http://purl.obolibrary.org/obo/CHEBI_15686 3_STAR
CHEBI:15687 biolink:ChemicalSubstance (S)-acetoin KEGG:C01769 phenio.json (3S)-3-hydroxybutan-2-one|(S)-2-Acetoin|(S)-2-acetoin|(S)-Acetoin|(S)-acetoin http://purl.obolibrary.org/obo/CHEBI_15687 3_STAR
CHEBI:15688 biolink:ChemicalSubstance acetoin A methyl ketone that is butan-2-one substituted by a hydroxy group at position 3. CAS:513-86-0|DrugBank:DB02788|KEGG:C00466|KEGG:C01769 phenio.json (S)-2-Acetoin|1-Hydroxyethyl methyl ketone|2,3-Butanolone|2-Acetoin|2-Hydroxy-3-butanone|3-Hydroxy-2-butanone|3-Hydroxybutan-2-one|3-hydroxybutan-2-one|Acetoin|Acetyl methyl carbinol|Dimethylketol|acetoin|gamma-Hydroxy-beta-oxobutane http://purl.obolibrary.org/obo/CHEBI_15688 3_STAR
CHEBI:15689 biolink:ChemicalSubstance 2,3-dihydroxy-3-methylbutanoic acid A dihydroxy monocarboxylic acid that is isovaleric acid which is substituted by hydroxy groups at positions 2 and 3. Beilstein:1756569|CAS:1756-18-9|KEGG:C04039|KNApSAcK:C00019678 phenio.json 2,3-Dihydroxy-isovaleric acid|2,3-dihydroxy-3-methylbutanoic acid|2,3-dihydroxy-3-methylbutyric acid|alpha,beta-Dihydroxyisovaleric acid http://purl.obolibrary.org/obo/CHEBI_15689 3_STAR
CHEBI:15690 biolink:ChemicalSubstance 20-hydroxy-3-oxopregn-4-en-21-al KEGG:C04108 phenio.json 20-Hydroxy-3-oxopregn-4-en-21-al|20-hydroxy-3-oxopregn-4-en-21-al http://purl.obolibrary.org/obo/CHEBI_15690 3_STAR
CHEBI:15692 biolink:ChemicalSubstance 3'-demethylstaurosporine KEGG:C07349 phenio.json (5S,6R,7R,9R)-6-hydroxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one|3'-Demethylstaurosporine http://purl.obolibrary.org/obo/CHEBI_15692 3_STAR
CHEBI:15693 biolink:ChemicalSubstance aldose Aldehydic parent sugars (polyhydroxy aldehydes H[CH(OH)]nC(=O)H, n >= 2) and their intramolecular hemiacetals. KEGG:C01370|Wikipedia:Aldose phenio.json Aldose|aldoses|an aldose http://purl.obolibrary.org/obo/CHEBI_15693 3_STAR
CHEBI:15694 biolink:ChemicalSubstance (R)-S-lactoylglutathione The S-[(R)-lactoyl] derivative of glutathione. It is an intermediate in the pyruvate metabolism. CAS:25138-66-3|HMDB:HMDB0001066|KEGG:C03451|KNApSAcK:C00019550|MetaCyc:S-LACTOYL-GLUTATHIONE|PMID:10397839|PMID:3123469|Reaxys:1717478 phenio.json (R)-S-Lactoylglutathione|S-D-Lactoylglutathione|S-[(2R)-2-hydroxypropanoyl]-gamma-L-glutamyl-L-cysteinylglycine|S-lactoylglutathione http://purl.obolibrary.org/obo/CHEBI_15694 3_STAR
CHEBI:15695 biolink:ChemicalSubstance D-4-hydroxyphenylglycine The D-enantiomer of 4-hydroxyphenylglycine. A non-proteinogenic amino acid found in Herpetosiphon aurantiacus. CAS:22818-40-2|KEGG:C03493|MetaCyc:D-4-HYDROXYPHENYLGLYCINE|PDBeChem:GHP|PMID:20140718|PMID:22307823|PMID:22515657|PMID:7716788|Patent:US4260684|Reaxys:6056393 phenio.json (2R)-amino(4-hydroxyphenyl)acetic acid|(R)-alpha-Amino-4-hydroxybenzeneacetic acid|4-HYDROXYPHENYLGLYCINE|D-4-Hydroxyphenylglycine|D-N-(4-Hydroxyphenyl)glycine http://purl.obolibrary.org/obo/CHEBI_15695 3_STAR
CHEBI:15696 biolink:ChemicalSubstance beta-D-glucosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate A polyprenyl glycosyl diphosphate having eleven prenyl units and with beta-D-glucosyl-(1->4)-N-acetyl-D-glucosamine as the glycosyl fragment. KEGG:G10501 phenio.json 2-(acetylamino)-2-deoxy-4-O-beta-D-glucopyranosyl-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_15696 3_STAR
CHEBI:15698 biolink:ChemicalSubstance 2'-deoxycytidine A pyrimidine 2'-deoxyribonucleoside having cytosine as the nucleobase. CAS:951-77-9|DrugBank:DB02594|Gmelin:1321747|HMDB:HMDB0000014|KEGG:C00881|MetaCyc:DEOXYCYTIDINE|PDBeChem:DCZ|PMID:15778433|Reaxys:87567|Wikipedia:Deoxycytidine phenio.json 2'-DEOXYCYTIDINE|2'-Deoxycytidine|2'-deoxycytidine|4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2(1H)-one|Deoxycytidine|dC|dCYD http://purl.obolibrary.org/obo/CHEBI_15698 3_STAR
CHEBI:15699 biolink:ChemicalSubstance L-homoserine The L-enantiomer of homoserine. CAS:672-15-1|DrugBank:DB04193|HMDB:HMDB0000719|KEGG:C00263|KNApSAcK:C00001366|MetaCyc:HOMO-SER|PDBeChem:HSE|PMID:22770225|Reaxys:1721681|Wikipedia:Homoserine phenio.json (2S)-2-amino-4-hydroxybutanoic acid|2-Amino-4-hydroxybutanoic acid|2-Amino-4-hydroxybutyric acid|Homoserine|L-HOMOSERINE|L-Homoserine|L-homoserine http://purl.obolibrary.org/obo/CHEBI_15699 3_STAR
CHEBI:15700 biolink:ChemicalSubstance dTDP-alpha-D-glucose A dTDP-sugar having alpha-D-glucopyranose as the sugar portion. CAS:2196-62-5|KEGG:C00842|KNApSAcK:C00007456|PDBeChem:DAU|Reaxys:6836291|Reaxys:7403915 phenio.json dTDP-D-glucose|dTDP-alpha-D-glucose|dTDPglucose|thymidine 5'-[3-(alpha-D-glucopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_15700 3_STAR
CHEBI:15702 biolink:ChemicalSubstance terephthalic acid A benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic acids. CAS:100-21-0|Gmelin:50561|HMDB:HMDB0002428|KEGG:C06337|MetaCyc:TEREPHTHALATE|PMID:24101250|PMID:24473302|PMID:24527803|Reaxys:1909333|Wikipedia:Terephthalic_acid phenio.json 1,4-Benzenedicarboxylic acid|TPA|Terephthalic acid|benzene-1,4-dicarboxylic acid|p-benzenedicarboxylic acid|para-benzenedicarboxylic acid|terephthalic acid http://purl.obolibrary.org/obo/CHEBI_15702 3_STAR
CHEBI:15703 biolink:ChemicalSubstance alpha-maltose 6'-phosphate A maltose phosphate having the phosphate group placed at the 6'-position. KEGG:C02995|KEGG:G10519 phenio.json Maltose 6'-phosphate|alpha-D-glucopyranosyl-(1->4)-D-glucose 6'-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_15703 3_STAR
CHEBI:15704 biolink:ChemicalSubstance 6-alkylamino-7-beta-D-glucosylpurine A beta-D-glucopyranoside with a 6-alkylamino-7-H-purin-7-yl substituent at the anomeric carbon atom. KEGG:C04422 phenio.json 6-alkylamino-7-beta-D-glucosylpurines|N6-Alkylaminopurine-7-beta-D-glucoside|an N(6)-alkylamino-7-beta-D-glucosylpurine http://purl.obolibrary.org/obo/CHEBI_15704 3_STAR
CHEBI:15705 biolink:ChemicalSubstance L-alpha-amino acid Any alpha-amino acid having L-configuration at the alpha-carbon. KEGG:C00151 phenio.json L-2-Amino acid|L-Amino acid|L-alpha-amino acid|L-alpha-amino acids http://purl.obolibrary.org/obo/CHEBI_15705 3_STAR
CHEBI:15707 biolink:ChemicalSubstance 2,6-dioxo-6-phenylhexanoic acid A dioxo monocarboxylic acid consisting of 6-phenylhexanoic acid having the two oxo groups at the 2- and 6-positions. KEGG:C03750 phenio.json 2,6-Dioxo-6-phenylhexanoate|2,6-dioxo-6-phenylhexanoic acid http://purl.obolibrary.org/obo/CHEBI_15707 3_STAR
CHEBI:15708 biolink:ChemicalSubstance trans-aconitate(3-) An aconitate(3-) that is the conjugate base of trans-aconitic acid. Beilstein:3907462|DrugBank:DB04351|Gmelin:329167|KEGG:C02341|PDBeChem:TRA phenio.json (1E)-prop-1-ene-1,2,3-tricarboxylate|ACONITATE ION|trans-aconitate http://purl.obolibrary.org/obo/CHEBI_15708 3_STAR
CHEBI:15710 biolink:ChemicalSubstance betaine aldehyde A quaternary ammonium ion that is nitrogen substituted by three methyl groups and a 2-oxoethyl group. It is an intermediate in the metabolism of amino acids like glycine, serine and threonine. CAS:7418-61-3|DrugBank:DB04401|HMDB:HMDB0001252|KEGG:C00576|PDBeChem:BTL|PMID:22569963|PMID:23563483|PMID:23823928|PMID:24747910|Reaxys:1748566|Wikipedia:Betaine_aldehyde phenio.json BETAINE ALDEHYDE|Betaine aldehyde|N,N,N-trimethyl-2-oxoethanaminium|betaine aldehyde|glycine betaine aldehyde http://purl.obolibrary.org/obo/CHEBI_15710 3_STAR
CHEBI:15711 biolink:ChemicalSubstance 1D-1-O-(indol-3-yl)acetyl-myo-inositol A cyclitol ester that is 1D-myo-inositol bearing a indol-3-acetyl substituent at position 1. KEGG:C03868 phenio.json 1D-1-O-(indol-3-yl)acetyl-myo-inositol|Indol-3-ylacetyl-1D-myo-inositol|Indol-3-ylacetyl-myo-inositol|Indole-3-acetyl-myo-inositol|Indole-3-ylacetyl-myo-inositol|indole-3-acetyl-1D-myo-inositol http://purl.obolibrary.org/obo/CHEBI_15711 3_STAR
CHEBI:15712 biolink:ChemicalSubstance 2,3-dihydrobiochanin A A hydroxyisoflavanone that is the 2,3-dihydro derivative of biochanin A. CAS:83920-62-1|KEGG:C02675|KNApSAcK:C00009553|PMID:1477911|PMID:16462085|PMID:17442349|PMID:21345747|PMID:23030687|PMID:7623042|Reaxys:1260381 phenio.json 2,3-Dihydrobiochanin A|2,3-dihydrobiochanin A|5,7-dihydroxy-3-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one|Dihydrobiochanin A http://purl.obolibrary.org/obo/CHEBI_15712 3_STAR
CHEBI:15713 biolink:ChemicalSubstance UTP A pyrimidine ribonucleoside 5'-triphosphate having uracil as the nucleobase. Beilstein:71520|CAS:63-39-8|DrugBank:DB04005|Drug_Central:3639|Gmelin:307896|KEGG:C00075|PDBeChem:UTP phenio.json 5'-UTP|H4utp|UTP|Uridine 5'-triphosphate|Uridine triphosphate|uridine 5'-(tetrahydrogen triphosphate)|uridine 5'-triphosphoric acid http://purl.obolibrary.org/obo/CHEBI_15713 3_STAR
CHEBI:15714 biolink:ChemicalSubstance trans-sinapic acid A sinapic acid in which the double bond has trans-configuration. CAS:7362-37-0|DrugBank:DB08587|HMDB:HMDB0032616|KEGG:C00482|KNApSAcK:C00002776|PDBeChem:SXX|Reaxys:2699118|Wikipedia:Sinapinic_acid phenio.json (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid|(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid|(E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid|SINAPINATE|sinapic acid|sinapinic acid http://purl.obolibrary.org/obo/CHEBI_15714 3_STAR
CHEBI:15715 biolink:ChemicalSubstance streptomycin 3''-phosphate A streptomycin phosphate having the phosphate group placed at the 3''-position. KEGG:C03731 phenio.json Streptomycin 3''-phosphate|[2-deoxy-2-(methylamino)-3-O-phosphono-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}|streptomycin 3''-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_15715 3_STAR
CHEBI:15716 biolink:ChemicalSubstance 12-hydroxydihydrochelirubine A benzophenanthridine alkaloid comprising dihydrochelirubine carrying a hydroxy substituent at the 12-position. CAS:131984-77-5|KEGG:C05193|KNApSAcK:C00027673 phenio.json 12-Hydroxychelirubine|12-Hydroxydihydrochelirubine|12-hydroxydihydrochelirubine|5-methoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-7-ol http://purl.obolibrary.org/obo/CHEBI_15716 3_STAR
CHEBI:157175 biolink:ChemicalSubstance enoxacin A 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a piperazin-1-yl group at the 7 position. An antibacterial, it is used in the treatment of urinary-tract infections and gonorrhoea. CAS:74011-58-8|DrugBank:DB00467|Drug_Central:1013|KEGG:C06979|KEGG:D00310|LINCS:LSM-5848|PMID:16644219|PMID:8741236|Patent:EP9425|Patent:US4352803|Patent:US4359578|Reaxys:3628995|VSDB:1896|Wikipedia:Enoxacin phenio.json 1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid|1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-1,8-naphthyridine-3-carboxylic acid|1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid|ENOXACIN|Enoxacin|enoxacin|enoxacine|enoxacino|enoxacinum http://purl.obolibrary.org/obo/CHEBI_157175 3_STAR
CHEBI:15718 biolink:ChemicalSubstance 2,3',4,6-tetrahydroxybenzophenone KEGG:C06355 phenio.json (3-hydroxyphenyl)(2,4,6-trihydroxyphenyl)methanone|2,3',4,6-Tetrahydroxybenzophenone http://purl.obolibrary.org/obo/CHEBI_15718 3_STAR
CHEBI:15719 biolink:ChemicalSubstance ferricytochrome Any cytochrome containing a ferriheme. KEGG:C00923 phenio.json Ferricytochrome http://purl.obolibrary.org/obo/CHEBI_15719 3_STAR
CHEBI:15721 biolink:ChemicalSubstance sedoheptulose 7-phosphate A ketoheptose phosphate consisting of sedoheptulose having a phosphate group at the 7-position. It is an intermediate metabolite in the pentose phosphate pathway. CAS:2646-35-7|HMDB:HMDB0001068|KEGG:C05382|KNApSAcK:C00019575|MetaCyc:D-SEDOHEPTULOSE-7-P|PMID:13989902|PMID:165386|PMID:23514175|PMID:33257730|PMID:38029258|PMID:3826613|PMID:38685871|PMID:5844826|Wikipedia:Sedoheptulose_7-phosphate phenio.json D-Sedoheptulose 7-phosphate|D-altro-Heptulose 7-phosphate|D-altro-hept-2-ulose 7-phosphate|Sedoheptulose 7-phosphate|altro-Heptulose 7-phosphate http://purl.obolibrary.org/obo/CHEBI_15721 3_STAR
CHEBI:15722 biolink:ChemicalSubstance peptidyl amide A peptide that has a carbamoyl group at the C-terminus. KEGG:C02179|MetaCyc:PEPTIDAMIDE-CPD phenio.json peptidyl amides http://purl.obolibrary.org/obo/CHEBI_15722 3_STAR
CHEBI:15723 biolink:ChemicalSubstance 1,6-bis-O-galloyl-beta-D-glucose A galloyl-beta-D-glucose compound having two galloyl groups in the 1- and 6-positions. KEGG:C04101 phenio.json 1,6-bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose|1,6-bis-O-galloyl-beta-D-glucose|1-O,6-O-Digalloyl-beta-D-glucose|1-O,6-O-digalloyl-beta-D-glucose http://purl.obolibrary.org/obo/CHEBI_15723 3_STAR
CHEBI:15724 biolink:ChemicalSubstance trimethylamine N-oxide A tertiary amine oxide resulting from the oxidation of the amino group of trimethylamine. CAS:1184-78-7|Gmelin:1839|HMDB:HMDB0000925|KEGG:C01104|MetaCyc:TRIMENTHLAMINE-N-O|PDBeChem:TMO|PMID:12683801|PMID:1453985|PMID:17697669|PMID:19425246|PMID:22770225|PMID:3170512|PMID:3674879|Reaxys:1734787|Wikipedia:Trimethylamine_oxide phenio.json (CH3)3NO|Me3N(+)O(-)|Me3N(O)|N(CH3)3O|N,N-dimethylmethanamine oxide|TMAO|Trimethylamine N-oxide|Trimethylaminoxid|trimethylamine N-oxide|trimethylamine oxide|trimethyloxamine http://purl.obolibrary.org/obo/CHEBI_15724 3_STAR
CHEBI:15725 biolink:ChemicalSubstance trimethylenediamine An alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. CAS:109-76-2|Gmelin:1298|HMDB:HMDB0000002|KEGG:C00986|KNApSAcK:C00007404|MetaCyc:CPD-313|PDBeChem:13D|PMID:1035932|PMID:10930630|PMID:1238529|PMID:17668437|PMID:4798530|PMID:6042782|PMID:739391|PMID:987217|Reaxys:605277|Wikipedia:1,3-Diaminopropane phenio.json 1,3-diamino-n-propane|1,3-diaminopropane|1,3-propanediamine|1,3-propylenediamine|1,3-trimethylenediamine|3-aminopropylamine|Propane-1,3-diamine|alpha,omega-propanediamine|propane-1,3-diamine|tn|trimethylenediamine http://purl.obolibrary.org/obo/CHEBI_15725 3_STAR
CHEBI:15727 biolink:ChemicalSubstance carnosine A dipeptide that is the N-(beta-alanyl) derivative of L-histidine. CAS:305-84-0|Chemspider:388363|DrugBank:DB11695|HMDB:HMDB0000033|KEGG:C00386|KNApSAcK:C00052222|PDBeChem:8V0|PMID:10841274|PMID:10951105|PMID:10951108|PMID:11470131|PMID:11707898|PMID:11911459|PMID:11976203|PMID:12139778|PMID:15853927|PMID:15878720|PMID:15941308|PMID:16162015|PMID:16181134|PMID:16287364|PMID:16406688|PMID:16804013|PMID:17031479|PMID:1735411|PMID:17443912|PMID:18019400|PMID:18076890|PMID:18773880|PMID:19309105|PMID:20017611|PMID:20681748|PMID:24398899|PMID:2674258|PMID:29463897|PMID:31951767|PMID:33586561|PMID:33704575|PMID:34067694|PMID:8689392|PMID:9029640|PMID:9928418|Reaxys:87671|Wikipedia:Carnosine phenio.json (2S)-2-(3-aminopropanamido)-3-(1H-imidazol-4-yl)propanoic acid|Carnosine|Karnozin|Karnozzn|L-carnosine|N(alpha)-(beta-alanyl)-L-histidine|N-(3-aminopropanoyl)-L-histidine|N-2-M|N-beta-alanyl-L-histidine|Nalpha-(beta-alanyl)-L-histidine|beta-alanyl-L-histidine|ignotine http://purl.obolibrary.org/obo/CHEBI_15727 3_STAR
CHEBI:15728 biolink:ChemicalSubstance 4-guanidinobutanoic acid The 4-guanidino derivative of butanoic acid. CAS:463-00-3|HMDB:HMDB0003464|KEGG:C01035|PDBeChem:ALG|PMID:22735334|Reaxys:1766447 phenio.json 4-(carbamimidamido)butanoic acid|4-Guanidinobutanoate|4-Guanidinobutyric acid|4-carbamimidamidobutanoic acid|gamma-Guanidinobutyrate|gamma-Guanidinobutyric acid http://purl.obolibrary.org/obo/CHEBI_15728 3_STAR
CHEBI:15729 biolink:ChemicalSubstance L-ornithine An optically active form of ornithine having L-configuration. CAS:70-26-8|DrugBank:DB00129|Drug_Central:3401|Gmelin:327282|HMDB:HMDB0000214|KEGG:C00077|KEGG:D08302|KNApSAcK:C00001384|MetaCyc:ORNITHINE|PDBeChem:ORN|PMID:15576628|PMID:17190852|PMID:18676473|PMID:19083482|PMID:19173225|PMID:22033378|PMID:22133808|PMID:22387109|PMID:22735334|Reaxys:1722298|Wikipedia:Ornithine phenio.json (2S)-2,5-diaminopentanoic acid|(S)-2,5-Diaminopentanoate|(S)-2,5-Diaminopentanoic acid|(S)-2,5-diaminovaleric acid|(S)-alpha,delta-diaminovaleric acid|(S)-ornithine|L-Ornithine|L-ornithine http://purl.obolibrary.org/obo/CHEBI_15729 3_STAR
CHEBI:15730 biolink:ChemicalSubstance pyruvic oxime An oxime obtained via formal condensation of pyruvic acid with hydroxylamine. Beilstein:1747144|CAS:2211-14-5|Gmelin:217667|KEGG:C02193 phenio.json 2-(hydroxyimino)propanoic acid|2-oximinopropanoic acid|Pyruvate oxime|pyruvatoxime http://purl.obolibrary.org/obo/CHEBI_15730 3_STAR
CHEBI:15732 biolink:ChemicalSubstance phosphonoacetic acid A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group. CAS:4408-78-0|DrugBank:DB02823|HMDB:HMDB0004110|KEGG:C05682|PDBeChem:PAE|PMID:16282466|PMID:24335308|PMID:24570323|Reaxys:1764355 phenio.json Fosfonet|Phosphonoacetate|Phosphonoacetic acid|phosphonoacetic acid http://purl.obolibrary.org/obo/CHEBI_15732 3_STAR
CHEBI:15733 biolink:ChemicalSubstance N-methylaniline A methylaniline that is aniline carrying a methyl substituent at the nitrogen atom. CAS:100-61-8|KEGG:C02299|PDBeChem:1MR|PMID:19223035|PMID:23357676|Reaxys:741982|Wikipedia:N-Methylaniline phenio.json (Methylamino)benzene|Methylaniline|Methylphenylamine|Monomethylaniline|N-Methyl-N-phenylamine|N-Methylaminobenzene|N-Methylaniline|N-Methylbenzenamine|N-Methylphenylamine|N-Monomethylaniline|N-Phenylmethylamine|N-methylaniline http://purl.obolibrary.org/obo/CHEBI_15733 3_STAR
CHEBI:15734 biolink:ChemicalSubstance primary alcohol A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it. KEGG:C00226 phenio.json 1-Alcohol|Primary alcohol|a primary alcohol|primary alcohols http://purl.obolibrary.org/obo/CHEBI_15734 3_STAR
CHEBI:15735 biolink:ChemicalSubstance S-formylmycothiol KEGG:C06718 phenio.json (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-S-formyl-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside|1D-1-O-[2-(N-acetyl-S-formyl-L-cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-myo-inositol|S-Formylmycothiol|S-formylmycothiol http://purl.obolibrary.org/obo/CHEBI_15735 3_STAR
CHEBI:15737 biolink:ChemicalSubstance N-carbamoylsarcosine The N-carbamoyl derivative of sarcosine. KEGG:C01043|PDBeChem:CMS phenio.json N-Carbamoylsarcosine|[carbamoyl(methyl)amino]acetic acid http://purl.obolibrary.org/obo/CHEBI_15737 3_STAR
CHEBI:15738 biolink:ChemicalSubstance staurosporine CAS:62996-74-1|DrugBank:DB02010|KEGG:C02079|KNApSAcK:C00018127|LINCS:LSM-1103|PDBeChem:STU|PMID:15613975|PMID:15682296|PMID:18478334|PMID:22363408|PMID:32800439|PMID:34428735|Wikipedia:Staurosporine phenio.json (+)-Staurosporine|(5S,6R,7R,9R)-6-methoxy-5-methyl-7-methylamino-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one|AM-2282|STS|Staurosporin|Staurosporine|antibiotic AM 2282 http://purl.obolibrary.org/obo/CHEBI_15738 3_STAR
CHEBI:15739 biolink:ChemicalSubstance isopropylamine A member of the class of alkylamines that is propane carrying an amino group at position 2. CAS:75-31-0|KEGG:C06748|MetaCyc:ISOPROPYLAMINE|PMID:23897436|PMID:24365708|Reaxys:605259|UM-BBD_compID:c0656|Wikipedia:Isopropylamine phenio.json 2-Aminopropane|2-Propanamine|2-aminopropane|2-propanamine|Isopropylamine|Monoisopropylamine|propan-2-amine http://purl.obolibrary.org/obo/CHEBI_15739 3_STAR
CHEBI:15740 biolink:ChemicalSubstance formate A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects. CAS:71-47-6|Gmelin:1006|HMDB:HMDB0000142|KEGG:C00058|MetaCyc:FORMATE|PMID:17190852|PMID:3946945|Reaxys:1901205|UM-BBD_compID:c0106|Wikipedia:Formate phenio.json HCO2 anion|aminate|formate|formiate|formic acid, ion(1-)|formylate|hydrogen carboxylate|methanoate http://purl.obolibrary.org/obo/CHEBI_15740 3_STAR
CHEBI:15741 biolink:ChemicalSubstance succinic acid An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle. CAS:110-15-6|DrugBank:DB00139|Drug_Central:2487|ECMDB:ECMDB00254|Gmelin:2785|HMDB:HMDB0000254|KEGG:C00042|KNApSAcK:C00001205|LIPID_MAPS_instance:LMFA01170043|MetaCyc:SUC|PDBeChem:SIN|PMID:17439666|Reaxys:1754069|Wikipedia:Succinic_acid|YMDB:YMDB00338 phenio.json 1,2-ethanedicarboxylic acid|Bernsteinsaeure|Butandisaeure|Butanedionic acid|Dihydrofumaric acid|E363|Ethylenesuccinic acid|HOOC-CH2-CH2-COOH|SUCCINIC ACID|Succinic acid|acide butanedioique|acide succinique|acidum succinicum|amber acid|asuccin|butanedioic acid|spirit of amber|succinic acid http://purl.obolibrary.org/obo/CHEBI_15741 3_STAR
CHEBI:15742 biolink:ChemicalSubstance pseudotropine Beilstein:80189|CAS:135-97-7|DrugBank:DB04026|KEGG:C02066|KNApSAcK:C00002301|PDBeChem:PTO phenio.json (3-exo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol|1alphaH,5alphaH-tropan-3beta-ol|3-pseudotropanol|3beta-tropanol|PSEUDOTROPINE|Pseudotropine|exo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol|pseudotropanol|psi-tropine|tropan-3beta-ol http://purl.obolibrary.org/obo/CHEBI_15742 3_STAR
CHEBI:15743 biolink:ChemicalSubstance butanal A member of the class of butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals. CAS:123-72-8|HMDB:HMDB0003543|KEGG:C01412|MetaCyc:BUTANAL|PMID:16347493|PMID:20833537|Reaxys:506061|Wikipedia:Butanal phenio.json 1-Butanal|Aldehyde butyrique|Aldeide butirrica|Butal|Butaldehyde|Butanal|Butanaldehyde|Butyl aldehyde|Butylaldehyde|Butyral|Butyraldehyd|Butyraldehyde|Butyric aldehyde|Butyrylaldehyde|butan-1-al|butanal|n-Butanal|n-Butyl aldehyde|n-Butyraldehyde|n-C3H7CHO http://purl.obolibrary.org/obo/CHEBI_15743 3_STAR
CHEBI:15745 biolink:ChemicalSubstance 2-aminomuconic 6-semialdehyde A muconic semialdehyde having a 2-amino substituent. KEGG:C03824|KNApSAcK:C00007492|UM-BBD_compID:c0318 phenio.json (2E,4Z)-2-amino-6-oxohexa-2,4-dienoic acid|2-Aminomuconate 6-semialdehyde|2-Aminomuconate semialdehyde|2-aminomuconic semialdehyde http://purl.obolibrary.org/obo/CHEBI_15745 3_STAR
CHEBI:15746 biolink:ChemicalSubstance spermine A polyazaalkane that is tetradecane in which the carbons at positions 1, 5, 10 and 14 are replaced by nitrogens. Spermine has broad actions on cellular metabolism. CAS:71-44-3|DrugBank:DB00127|Gmelin:454653|HMDB:HMDB0001256|KEGG:C00750|KNApSAcK:C00001432|MetaCyc:SPERMINE|PDBeChem:SPM|PMID:10873205|PMID:10930630|PMID:11341774|PMID:11543598|PMID:11805860|PMID:15145762|PMID:15308338|PMID:15500473|PMID:15972654|PMID:16146631|PMID:16253230|PMID:16664713|PMID:19275753|PMID:19593412|PMID:19962967|PMID:22735334|PMID:23289636|PMID:23418509|PMID:23506248|PMID:23820617|PMID:23887925|PMID:7521253|PMID:7721849|PMID:8524182|PMID:8832899|PMID:9151701|Reaxys:1750791|Wikipedia:Spermine phenio.json 4,9-diaza-1,12-dodecanediamine|4,9-diazadodecane-1,12-diamine|N,N'-Bis(3-aminopropyl)-1,4-butanediamine|N,N'-bis(3-aminopropyl)butane-1,4-diamine|SPERMINE|Spermine http://purl.obolibrary.org/obo/CHEBI_15746 3_STAR
CHEBI:15748 biolink:ChemicalSubstance D-glucuronate KEGG:C00191 phenio.json D-Glucuronate|D-glucuronate|Glucuronate http://purl.obolibrary.org/obo/CHEBI_15748 3_STAR
CHEBI:15749 biolink:ChemicalSubstance 3-carboxy-cis,cis-muconic acid The 3-carboxy derivative of cis,cis-muconic acid. CAS:1116-26-3|KEGG:C01163|KNApSAcK:C00007499|UM-BBD_compID:c0191 phenio.json (1E,3Z)-buta-1,3-diene-1,2,4-tricarboxylic acid|3-Carboxy-cis,cis-muconate|3-carboxy-cis,cis-muconate|beta-Carboxy-cis,cis-muconate|beta-carboxy-cis,cis-muconate|cis,cis-Butadiene-1,2,4-tricarboxylate|cis,cis-butadiene-1,2,4-tricarboxylate http://purl.obolibrary.org/obo/CHEBI_15749 3_STAR
CHEBI:15750 biolink:ChemicalSubstance dolichyl diphosphate CAS:37247-98-6|KEGG:C00621 phenio.json Dolichol diphosphate|Dolichol pyrophosphate|Dolichyl diphosphate|Dolichyl pyrophosphate|alpha-(3-methylbut-2-en-1-yl)-omega-(4-{[hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbutyl)poly[(2E)-2-methylbut-2-ene-1,4-diyl] http://purl.obolibrary.org/obo/CHEBI_15750 3_STAR
CHEBI:15751 biolink:ChemicalSubstance ADP alpha-D-glucoside An ADP-aldose having alpha-D-glucopyranose as the sugar moiety. CAS:2140-58-1|ECMDB:ECMDB06557|HMDB:HMDB0006557|KEGG:C00498|KEGG:G11109|PDBeChem:ADQ|PMID:15951568|PMID:23292602|PMID:23537328|PMID:24762788|PMID:25133777|Reaxys:1207857 phenio.json ADP-glucose|ADPG|ADPglucose|Adenosine diphosphate glucose|Adenosine diphosphoglucose|Adenosine pyrophosphateglucose|adenosine 5'-[3-(alpha-D-glucopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_15751 3_STAR
CHEBI:15753 biolink:ChemicalSubstance 2-oxoadipic acid An oxo dicarboxylic acid that is adipic acid substituted by an oxo group at position 2. CAS:3184-35-8|Chemspider:70|FooDB:FDB003362|HMDB:HMDB0000225|KEGG:C00322|KNApSAcK:C00000770|LIPID_MAPS_instance:LMFA01170121|PDBeChem:OOG|PMID:10655159|PMID:11013234|PMID:11083877|PMID:14163891|PMID:16183823|PMID:16349595|PMID:21228461|PMID:23150724|PMID:25454257|PMID:27082660|PMID:28780854|PMID:29082669|PMID:30175794|PMID:30742897|PMID:32160276|PMID:32523014|PMID:33401897|PMID:33642466|PMID:34091113|PMID:4284830|PMID:5836515|PMID:8087979|PMID:8495733|PMID:9869358|Reaxys:1772134|Wikipedia:Alpha-Ketoadipic_acid phenio.json 2-Oxoadipic acid|2-ketoadipic acid|2-oxo-hexanedioic acid|2-oxohexanedioic acid|alpha-ketoadipic acid|alpha-oxoadipic acid http://purl.obolibrary.org/obo/CHEBI_15753 3_STAR
CHEBI:15754 biolink:ChemicalSubstance 3-O-beta-D-galactopyranosyl-sn-glycerol GlyTouCan:G98889VY|KEGG:C05401|KNApSAcK:C00019351|PDBeChem:RGG phenio.json (2R)-2,3-dihydroxypropyl beta-D-galactopyranoside|3-O-beta-D-galactosyl-sn-glycerol|3-beta-D-Galactosyl-sn-glycerol|3-beta-D-galactosyl-sn-glycerol|Galactosylglycerol|WURCS=2.0/2,2,1/[h2h][a2112h-1b_1-5]/1-2/a1-b1 http://purl.obolibrary.org/obo/CHEBI_15754 3_STAR
CHEBI:15755 biolink:ChemicalSubstance 3alpha,7alpha,12beta-trihydroxy-5beta-cholanate A bile acid anion that is the conjugate base of 3alpha,7alpha,12beta-trihydroxy-5beta-cholanic acid, obtained by deprotonation of the carboxy group. phenio.json 3alpha,7alpha,12beta-trihydroxy-5beta-cholan-24-oate|3alpha,7alpha,12beta-trihydroxy-5beta-cholanate http://purl.obolibrary.org/obo/CHEBI_15755 3_STAR
CHEBI:15756 biolink:ChemicalSubstance hexadecanoic acid A straight-chain, sixteen-carbon, saturated long-chain fatty acid. CAS:57-10-3|DrugBank:DB03796|Gmelin:190200|HMDB:HMDB0000220|KEGG:C00249|KEGG:D05341|KNApSAcK:C00001233|KNApSAcK:C00030479|LIPID_MAPS_instance:LMFA01010001|MetaCyc:PALMITATE|PDBeChem:PLM|PMID:12492626|PMID:15357969|PMID:1589452|PMID:16509590|PMID:16884313|PMID:17439666|PMID:17502136|PMID:20001317|PMID:22735334|PMID:25584012|PMID:28600633|PPDB:1336|Reaxys:607489|Wikipedia:Palmitic_acid phenio.json 1-Pentadecanecarboxylic acid|1-hexyldecanoic acid|16:00|C16|C16 fatty acid|C16:0|CH3-[CH2]14-COOH|FA 16:0|Hexadecanoate|Hexadecylic acid|Hexaectylic acid|PALMITIC ACID|Palmitate|Palmitic acid|Palmitinic acid|Palmitinsaeure|Pentadecanecarboxylic acid|cetylic acid|hexadecanoic acid|hexadecoic acid|n-hexadecanoic acid|n-hexadecoic acid|palmitic acid http://purl.obolibrary.org/obo/CHEBI_15756 3_STAR
CHEBI:15757 biolink:ChemicalSubstance (S)-4-amino-5-oxopentanoic acid A 5-oxo monocarboxylic acid that is 5-oxopentanoic acid substituted by an amino group at position 4 (the 4S-stereoisomer). CAS:68462-55-5|KEGG:C03741|KNApSAcK:C00007379|KNApSAcK:C00019659 phenio.json (4S)-4-amino-5-oxopentanoic acid|(S)-4-Amino-5-oxopentanoate|(S)-4-amino-5-oxopentanoic acid|4-AMINO-5-OXO-PENTANOIC ACID|L-Glutamate 1-semialdehyde|glutamate-1-semialdehyde http://purl.obolibrary.org/obo/CHEBI_15757 3_STAR
CHEBI:15758 biolink:ChemicalSubstance leucocyanidin CAS:480-17-1|KEGG:C05906 phenio.json (2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol|2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,4,5,7-tetrol|3,3',4,4',5,7-Flavanhexol|3,4-Cyanidiol|Leucoanthocyanidol|Leucocianidol|Leucocyanidin|Leucocyanidol|Leukocyanidine|Procyanidol|Resivit http://purl.obolibrary.org/obo/CHEBI_15758 3_STAR
CHEBI:15759 biolink:ChemicalSubstance 2,3-epoxyphylloquinone CAS:25486-55-9|PMID:17101711|PMID:17124179|PMID:25524619|PMID:35411052|PMID:849285 phenio.json 1a-methyl-7a-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione|2,3-epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone|2,3-epoxyphylloquinone|vitamin K1 2,3-epoxide http://purl.obolibrary.org/obo/CHEBI_15759 3_STAR
CHEBI:157597 biolink:ChemicalSubstance N-tetracosenoyl-sphingoid base A ceramide having a tetracosenoyl fatty chain where the double bond position is not defined, and also the sphingoid base is undefined. phenio.json C24:1 ceramide|an N-tetracosenoyl-sphingoid base http://purl.obolibrary.org/obo/CHEBI_157597 2_STAR
CHEBI:15760 biolink:ChemicalSubstance tyramine A primary amino compound obtained by formal decarboxylation of the amino acid tyrosine. CAS:51-67-2|Drug_Central:2784|Gmelin:82946|HMDB:HMDB0000306|KEGG:C00483|KNApSAcK:C00001435|LINCS:LSM-19016|MetaCyc:TYRAMINE|PDBeChem:AEF|PMID:11361052|PMID:11919655|PMID:12183041|PMID:12707242|PMID:12811595|PMID:15000446|PMID:15848803|PMID:15932098|PMID:18422653|PMID:18970430|PMID:19137318|PMID:19189084|PMID:21570963|PMID:21628600|PMID:21651557|PMID:21679153|PMID:21850574|PMID:21909937|PMID:22735334|PMID:3137238|PMID:319927|PMID:6501508|PMID:9282832|PMID:9731223|Reaxys:1099914|Wikipedia:Tyramine phenio.json 2-(p-Hydroxyphenyl)ethylamine|4-(2-aminoethyl)phenol|4-Hydroxy-beta-phenylethylamine|4-Hydroxyphenylethylamine|4-hydroxyphenethylamine|Tyramin|Tyramine|beta-(4-Hydroxyphenyl)ethylamine|p-(2-Aminoethyl)phenol|p-(2-aminoethyl)phenol|p-hydroxyphenethylamine|p-hydroxyphenylethylamine|p-tyramine http://purl.obolibrary.org/obo/CHEBI_15760 3_STAR
CHEBI:15761 biolink:ChemicalSubstance N-methylpyridinium CAS:694-56-4|KEGG:C02724 phenio.json 1-Methylpyridinium|1-methylpyridinium|N-Methylpyridinium|N-methylpyridinium http://purl.obolibrary.org/obo/CHEBI_15761 3_STAR
CHEBI:157629 biolink:ChemicalSubstance (1R,2S)-cicloxilic acid A 2-hydroxy-2-phenylcyclohexanecarboxylic acid that has (1R,2S)-stereoconfiguration. phenio.json (1R,2S)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid|(1R,2S)-2-hydroxy-2-phenylcyclohexanecarboxylic acid|2beta-hydroxy-2-phenylcyclohexane-1beta-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_157629 3_STAR
CHEBI:15763 biolink:ChemicalSubstance nicotinic acid D-ribonucleotide A D-ribonucleotide having nicotinic acid as the nucleobase. KEGG:C01185|KNApSAcK:C00007447|PDBeChem:NCN phenio.json 3-carboxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium|Nicotinate D-ribonucleotide|Nicotinate ribonucleotide|Nicotinic acid ribonucleotide|beta-Nicotinate D-ribonucleotide http://purl.obolibrary.org/obo/CHEBI_15763 3_STAR
CHEBI:157630 biolink:ChemicalSubstance (1S,2R)-cicloxilic acid A 2-hydroxy-2-phenylcyclohexanecarboxylic acid that has (1S,2R)-stereoconfiguration. phenio.json (1S,2R)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid|(1S,2R)-2-hydroxy-2-phenylcyclohexanecarboxylic acid|2alpha-hydroxy-2-phenylcyclohexane-1alpha-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_157630 3_STAR
CHEBI:157631 biolink:ChemicalSubstance 2-hydroxy-2-phenylcyclohexanecarboxylic acid A member of the class of cyclohexanols that is cyclohexane substituted by carboxy, hydroxy and phenyl groups at positions 1, 2 and 2, respectively. phenio.json 2-hydroxy-2-phenylcyclohexane-1-carboxylic acid|2-hydroxy-2-phenylcyclohexanecarboxylic acid http://purl.obolibrary.org/obo/CHEBI_157631 3_STAR
CHEBI:157642 biolink:ChemicalSubstance (aminooxy)acetate A monocarboxylic acid anion that is the conjugate base of (aminooxy)acetic acid, resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3. PMID:24186512|PMID:24190668 phenio.json (aminooxy)acetate|2-(aminooxy)acetate|2-aminooxyethanoate|aminooxyacetate http://purl.obolibrary.org/obo/CHEBI_157642 3_STAR
CHEBI:15765 biolink:ChemicalSubstance L-dopa An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease Beilstein:6060047|CAS:59-92-7|COMe:MOL000169|DrugBank:DB01235|Drug_Central:1567|Gmelin:365846|HMDB:HMDB0000181|KEGG:C00355|KEGG:D00059|KNApSAcK:C00001357|LINCS:LSM-5481|MetaCyc:L-DIHYDROXY-PHENYLALANINE|PDBeChem:DAH_LFOH|PMID:18690870|PMID:22491024|PMID:22592937|PMID:23038403|PMID:23127496|PMID:23196068|PMID:23206800|PMID:23211937|PMID:23357114|PMID:23389842|PMID:23389938|PMID:23390548|PMID:29438107|PMID:8301021|Reaxys:2215169|Wikipedia:L-DOPA|Wikipedia:Levodopa phenio.json (-)-3-(3,4-dihydroxyphenyl)-L-alanine|(-)-dopa|(2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid|3,4-DIHYDROXYPHENYLALANINE|3,4-Dihydroxy-L-phenylalanine|3-Hydroxy-L-tyrosine|Dihydroxy-L-phenylalanine|Dopar|L-DOPA|L-Dopa|L-beta-(3,4-Dihydroxyphenyl)alanine|L-dopa|beta-(3,4-dihydroxyphenyl)-L-alanine|beta-(3,4-dihydroxyphenyl)alanine|levodopa|levodopum http://purl.obolibrary.org/obo/CHEBI_15765 3_STAR
CHEBI:15766 biolink:ChemicalSubstance N-benzoyl-D-arginine-4-nitroanilide The 4-nitroanilide of N-benzoyl-D-arginine. KEGG:C04303 phenio.json Bz-Arg-p-nitroanilide|N(2)-benzoyl-N-(4-nitrophenyl)-D-argininamide|N-Benzoyl-D-arginine-4-nitroanilide http://purl.obolibrary.org/obo/CHEBI_15766 3_STAR
CHEBI:157662 biolink:ChemicalSubstance N-(omega-linoleoyloxy-ultra-long chain fatty acyl)sphingosine An N-(omega-linoleoyloxy-acyl)sphingosine where R1 is an ULCFA. PMID:28248300 phenio.json N-(omega-linoleoyloxy-ultra-long chain fatty acyl)sphing-4E-enine|an N-(omega-(9Z,12Z-octadecadienoyloxy)-ultra-long chain fatty acyl)-sphing-4-enine http://purl.obolibrary.org/obo/CHEBI_157662 2_STAR
CHEBI:157663 biolink:ChemicalSubstance N-(omega-hydroxy-ultra-long chain fatty acyl)sphingosine An N-(omega-hydroxyacyl)sphingosine where R1 is an ULCFA. PMID:28248300 phenio.json N-(omega-hydroxy-ultra-long chain fatty acyl)-sphing-4E-enine|an N-(omega-hydroxy-ultra-long chain fatty acyl)-sphing-4-enine http://purl.obolibrary.org/obo/CHEBI_157663 2_STAR
CHEBI:157668 biolink:ChemicalSubstance carbocyclic fatty acid anion Any fatty acid anion containing a ring composed of carbon atoms. Major microspecies at pH 7.3 phenio.json http://purl.obolibrary.org/obo/CHEBI_157668 2_STAR
CHEBI:15767 biolink:ChemicalSubstance dichloromethane A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea. CAS:75-09-2|Gmelin:1302|HMDB:HMDB0031548|KEGG:C02271|KEGG:D02330|MetaCyc:CPD-681|PMID:11884241|PMID:19091298|PMID:8465711|Patent:US2792435|Patent:US2979541|Patent:US3126419|Reaxys:1730800|UM-BBD_compID:c0233|Wikipedia:Dichloromethane phenio.json DCM|Dichlormethan|Dichloromethane|Methylenchlorid|Methylene chloride|Methylene dichloride|chlorure de methylene|dichloromethane|methane dichloride|methylene bichloride http://purl.obolibrary.org/obo/CHEBI_15767 3_STAR
CHEBI:157670 biolink:ChemicalSubstance alpha-D-mannopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-alpha-D-galactopyranosyl-diphospho-ditrans,octacis-undecaprenol(2-) MetaCyc:D-MANNOSYL-RHAMNOSYL-ETCETERA phenio.json alpha-D-Man-(1->4)-alpha-L-Rha-(1->3)-alpha-D-Gal-PP-Und|alpha-D-Man-(1->4)-alpha-L-Rha-(1->3)-alpha-D-Gal-di-trans,octa-cis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_157670 2_STAR
CHEBI:157673 biolink:ChemicalSubstance alpha-D-abequose-(1->3)-alpha-D-mannopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->3)-alpha-D-galactopyranosyl-diphospho-ditrans,octacis-undecaprenol(2-) MetaCyc:CPD-23725 phenio.json alpha-D-Abe-(1->3)-alpha-D-Man-(1->4)-alpha-L-Rha-(1->3)-alpha-D-Gal-di-trans,octa-cis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_157673 2_STAR
CHEBI:157677 biolink:ChemicalSubstance prednisolone succinate(1-) A dicarboxylic acid monoester(1-) that is the conjugate base of prednisolone succinate resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3. phenio.json 4-[(11beta,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl)oxy]-4-oxobutanoate|prednisolone hemisuccinate anion|prednisolone hemisuccinate(1-)|prednisolone succinate anion http://purl.obolibrary.org/obo/CHEBI_157677 3_STAR
CHEBI:15768 biolink:ChemicalSubstance 3,5-diiodo-L-tyrosine A diiodotyrosine that is L-tyrosine carrying iodo-substituents at positions C-3 and C-5 of the benzyl group. It is an intermediate in the thyroid hormone synthesis. CAS:300-39-0|DrugBank:DB03374|Drug_Central:3146|Gmelin:1128682|HMDB:HMDB0003474|KEGG:C01060|LINCS:LSM-5697|PDBeChem:TYI|PMID:11344555|PMID:15206581|PMID:15589368|Reaxys:2218691 phenio.json (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid|3,5-DIIODOTYROSINE|3,5-Diiodo-L-tyrosine|3,5-Diiodotyrosine|3,5-diiodo-L-tyrosine|DIT|DiIY|L-3,5-diiodotyrosine|L-Diiodotyrosine|diiodotyrosine http://purl.obolibrary.org/obo/CHEBI_15768 3_STAR
CHEBI:157685 biolink:ChemicalSubstance primary linear alkyl sulfate ester(1-) MetaCyc:Primary-Alkyl-Sulfate-Esters|PMID:10913158 phenio.json a primary linear alkyl sulfate ester http://purl.obolibrary.org/obo/CHEBI_157685 2_STAR
CHEBI:15769 biolink:ChemicalSubstance N-[(R)-4-phosphopantothenoyl]-L-cysteine The N-[(R)-4-phosphopantothenoyl] derivative of L-cysteine. KEGG:C04352|KNApSAcK:C00019633 phenio.json (R)-4'-Phosphopantothenoyl-L-cysteine|N-((R)-4'-phosphopantothenoyl)-L-cysteine|N-[(R)-4'-Phosphopantothenoyl]-L-cysteine|N-{N-[(2R)-2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl]-beta-alanyl}-L-cysteine http://purl.obolibrary.org/obo/CHEBI_15769 3_STAR
CHEBI:157692 biolink:ChemicalSubstance (2S)-2-amino-5-hydroxy-4-oxopentanoate residue MetaCyc:Prot-1-hydroxy-2-oxopropylalanine|PMID:22568620 phenio.json (2S)-2-amino-5-hydroxy-4-oxopentanoate residue http://purl.obolibrary.org/obo/CHEBI_157692 2_STAR
CHEBI:157693 biolink:ChemicalSubstance 3-(3,4-substituted-phenyl)-1,1-dimethylurea A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by two methyl groups while the other is substituted by a phenyl group which carries two unspecified groups at positions 3 and 4 of the phenyl ring. MetaCyc:11-Dimethyl-3-Phenylureas|PMID:24123738 phenio.json 3-(3,4-substituted-phenyl)-1,1-dimethylureas|N'-(3,4-substituted-phenyl)-N,N-dimethylurea|N'-(3,4-substituted-phenyl)-N,N-dimethylureas|a 1,1-dimethyl-3-phenylurea http://purl.obolibrary.org/obo/CHEBI_157693 3_STAR
CHEBI:157695 biolink:ChemicalSubstance 3'-end deoxyribonucleotide 2,3-dehydro-2,3-deoxyribose phosphate(2-) residue MetaCyc:a-DNA-3-alpha-beta-unsaturated-aldehyde|PMID:22375014 phenio.json 3'-end deoxyribonucleotide 2,3-dehydro-2,3-deoxyribose phosphate residue http://purl.obolibrary.org/obo/CHEBI_157695 2_STAR
CHEBI:157698 biolink:ChemicalSubstance glucohexaose Any hexasaccharide composed of 6 glucose moieties. phenio.json http://purl.obolibrary.org/obo/CHEBI_157698 3_STAR
CHEBI:15770 biolink:ChemicalSubstance D-erythritol 4-phosphate A tetritol phosphate consisting of D-erythritol having the phosphate at the 4-position. Beilstein:1725684|KEGG:C03494 phenio.json (2R,3S)-2,3,4-trihydroxybutyl dihydrogen phosphate|4-O-phosphono-D-erythritol|D-Erythritol 4-phosphate|D-erythritol 4-(dihydrogen phosphate)|L-Erythritol 1-phosphate http://purl.obolibrary.org/obo/CHEBI_15770 3_STAR
CHEBI:157706 biolink:ChemicalSubstance (2E,4S)-4,5-dihydroxypent-2-enal PMID:22375014 phenio.json (2E,4S)-4,5-dihydroxypent-2-enal http://purl.obolibrary.org/obo/CHEBI_157706 2_STAR
CHEBI:15771 biolink:ChemicalSubstance loganin An iridoid monoterpenoid with formula C17H26O10 that is isolated from several plant species and exhibits neuroprotective and anti-inflammatory properties. AGR:IND500719365|CAS:18524-94-2|KEGG:C01433|KNApSAcK:C00003088|LIPID_MAPS_instance:LMPR0102070001|MetaCyc:LOGANIN|PMID:19666019|PMID:22931211|PMID:25778782|PMID:26231452|PMID:26287995|PMID:26407655|PMID:26591537|PMID:26619955|PMID:26720701|PMID:27106028|PMID:27128898|PMID:27155393|PMID:27241020|PMID:27416474|PMID:27446632|PMID:27534097|PMID:27662601|PMID:27710888|PMID:27739659|Pubchem:91727262|Reaxys:55724|Wikipedia:Loganin phenio.json 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid methyl ester|Loganin|loganin|loganoside|methyl (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate http://purl.obolibrary.org/obo/CHEBI_15771 3_STAR
CHEBI:15772 biolink:ChemicalSubstance L-dopachrome The L-enantiomer of dopachrome. Beilstein:5532979|KEGG:C01693 phenio.json (2S)-5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylic acid|2-L-Carboxy-2,3-dihydroindole-5,6-quinone|L-Dopachrome http://purl.obolibrary.org/obo/CHEBI_15772 3_STAR
CHEBI:157725 biolink:ChemicalSubstance Flavokawain A Chemspider:4511445|HMDB:HMDB0033586 phenio.json (E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one http://purl.obolibrary.org/obo/CHEBI_157725 2_STAR
CHEBI:15773 biolink:ChemicalSubstance cyclohexylamine A primary aliphatic amine consisting of cyclohexane carrying an amino substituent. CAS:108-91-8|HMDB:HMDB0031404|KEGG:C00571|MetaCyc:CPD-303|PDBeChem:HAI|PMID:14726272|PMID:7766708|Reaxys:471175|UM-BBD_compID:c0690|Wikipedia:Cyclohexylamine phenio.json Cyclohexanamine|Cyclohexylamine|cyclohexanamine http://purl.obolibrary.org/obo/CHEBI_15773 3_STAR
CHEBI:15774 biolink:ChemicalSubstance dTDP-beta-L-rhamnose The beta-anomer of dTDP-L-rhamnose. CAS:2147-59-3|KEGG:C03319|KNApSAcK:C00007662|Reaxys:8098043 phenio.json Thymidine 5'-(trihydrogen diphosphate), P'-(6-deoxy-beta-L-mannopyranosyl) ester|Thymidine diphosphate-L-rhamnose|dTDP-6-deoxy-L-mannose|dTDP-6-deoxy-beta-L-mannose|dTDP-L-rhamnose|thymidine 5'-[3-(6-deoxy-beta-L-mannopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_15774 3_STAR
CHEBI:157740 biolink:ChemicalSubstance N-(fatty acyl)-dopamine A fatty acid conjugated to dopamine phenio.json an N-(fatty acyl)-dopamine|fatty acyl dopamine http://purl.obolibrary.org/obo/CHEBI_157740 2_STAR
CHEBI:15775 biolink:ChemicalSubstance 3-oxoadipate(2-) A dicarboxylic acid dianion resuting from deprotonation of both carboxy groups of 3-oxoadipic acid. KEGG:C00846|Reaxys:11212454|UM-BBD_compID:c0100 phenio.json 3-Keto-adipate|3-Oxoadipate|3-oxoadipate|3-oxohexanedioate http://purl.obolibrary.org/obo/CHEBI_15775 3_STAR
CHEBI:157750 biolink:ChemicalSubstance heparan sulfate polyanion A carbohydrate acid derivative anion that is a polyanionic form of heparan sulfate arising from global deprotonation of the carboxy and N-sulfo groups; major species at pH 7.3. phenio.json heparan sulfate group http://purl.obolibrary.org/obo/CHEBI_157750 2_STAR
CHEBI:15776 biolink:ChemicalSubstance cephalosporin C A cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7. CAS:61-24-5|DrugBank:DB03313|HMDB:HMDB0060450|KEGG:C00916|MetaCyc:CSC|PDBeChem:CSC|PMID:13315229|PMID:14370161|PMID:18279889|PMID:19787461|PMID:20171092|PMID:20391764|PMID:2083978|PMID:21219942|PMID:21866341|PMID:22068491|PMID:23053347|PMID:23334835|PMID:23828600|PMID:9131470|Reaxys:65348|Wikipedia:Cephalosporin_C phenio.json (6R,7R)-3-[(acetyloxy)methyl]-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-(5-Amino-5-carboxyvaleramido)cephalosporanic acid|Cephalosporin C http://purl.obolibrary.org/obo/CHEBI_15776 3_STAR
CHEBI:157763 biolink:ChemicalSubstance polyprenol phosphate anion A polyprenol phosphate in which the hydroxyl hydrogen is replaced by a phospho group, major species at pH 7.3. phenio.json a polyprenol phosphate http://purl.obolibrary.org/obo/CHEBI_157763 2_STAR
CHEBI:15777 biolink:ChemicalSubstance 4-oxocyclohexanecarboxylate KEGG:C03767 phenio.json 4-Oxocyclohexanecarboxylate|4-ketocyclohexanecarboxylate|4-oxocyclohexane-1-carboxylate|4-oxocyclohexanecarboxylate http://purl.obolibrary.org/obo/CHEBI_15777 3_STAR
CHEBI:157770 biolink:ChemicalSubstance short-chain primary fatty alcohol Any primary fatty alcohol with a chain length less than 6 carbons. phenio.json short-chain primary fatty alcohols http://purl.obolibrary.org/obo/CHEBI_157770 2_STAR
CHEBI:157771 biolink:ChemicalSubstance hydroperoxydocosapentaenoate A docosanoid anion arising from deprotonation of the carboxylic acid function of any hydroperoxydocosapentaenoic acid. phenio.json hydroperoxydocosapentaenoates http://purl.obolibrary.org/obo/CHEBI_157771 3_STAR
CHEBI:157773 biolink:ChemicalSubstance epoxydocosapentaenoate A docosanoid anion arising from deprotonation of the carboxylic acid function of any epoxydocosapentaenoic acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_157773 2_STAR
CHEBI:157774 biolink:ChemicalSubstance epoxydocosahexaenoate A docosanoid anion arising from deprotonation of the carboxylic acid function of any epoxydocosahexaenoic acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_157774 2_STAR
CHEBI:157775 biolink:ChemicalSubstance N-acyl-beta-D-galactosylphytosphingosine phenio.json a beta-D-galactosyl-(1<->1')-N-acyl-(4R)-hydroxysphinganine|beta-D-GalCer(t18:0) http://purl.obolibrary.org/obo/CHEBI_157775 2_STAR
CHEBI:15778 biolink:ChemicalSubstance N-acyl-D-amino acid Any N-acyl-amino acid in which the amino acid moiety has D configuration. phenio.json http://purl.obolibrary.org/obo/CHEBI_15778 3_STAR
CHEBI:15779 biolink:ChemicalSubstance N-acyl-D-aspartic acid A D-aspartic acid derivative that is D-aspartic acid in which one of the hydrogens attached to the nitrogen is replaced by an acyl group. KEGG:C06380 phenio.json N-Acyl-D-aspartate|N-acyl-D-aspartic acids http://purl.obolibrary.org/obo/CHEBI_15779 3_STAR
CHEBI:15781 biolink:ChemicalSubstance N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine CAS:534-30-5|KEGG:C05575 phenio.json (2S)-3-(1H-imidazol-4-yl)-2-(trimethylammonio)propanoate|(S)-alpha-Carboxy-N,N,N-trimethyl-1H-imidazole-4-ethanaminium hydroxide, inner salt|Hercynine|Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine|hercynine http://purl.obolibrary.org/obo/CHEBI_15781 3_STAR
CHEBI:15782 biolink:ChemicalSubstance viomycin A cyclic peptide antibiotic produced by the actinomycete Streptomyces puniceus, used in the treatment of tuberculosis. Beilstein:11141953|CAS:32988-50-4|Drug_Central:2830|KEGG:C01540 phenio.json (3S)-3,6-diamino-N-[(3S,6Z,9S,12S,15S)-6-[(carbamoylamino)methylene]-3-[(4R,6S)-6-hydroxy-2-iminohexahydropyrimidin-4-yl]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-15-yl]hexanamide|Viomycin|viomicina|viomycin|viomycine|viomycinum http://purl.obolibrary.org/obo/CHEBI_15782 3_STAR
CHEBI:15783 biolink:ChemicalSubstance N,N-dimethyl-1,4-phenylenediamine CAS:99-98-9|KEGG:C04203 phenio.json N,N-Dimethyl-1,4-phenylenediamine|N,N-Dimethyl-p-phenylenediamine|N,N-dimethyl-1,4-phenylenediamine|N,N-dimethyl-p-phenylenediamine|N,N-dimethylbenzene-1,4-diamine|p-Amino-N,N-dimethylaniline|p-amino-N,N-dimethylaniline http://purl.obolibrary.org/obo/CHEBI_15783 3_STAR
CHEBI:15784 biolink:ChemicalSubstance N-acetyl-D-glucosamine 6-phosphate An N-acyl-D-glucosamine 6-phosphate that is the N-acetyl derivative of D-glucosamine 6-phosphate. It is a component of the aminosugar metabolism. DrugBank:DB03951|HMDB:HMDB0001062|KEGG:C00357|KNApSAcK:C00019661|PMID:17077487|PMID:8125098|PMID:8747459|Reaxys:2337906 phenio.json 2-acetamido-2-deoxy-6-O-phosphono-D-glucopyranose|2-acetamido-2-deoxy-D-glucopyranose 6-(dihydrogen phosphate)|N-Acetyl-D-glucosamine 6-phosphate|N-acetyl-D-glucosamine 6-phosphate http://purl.obolibrary.org/obo/CHEBI_15784 3_STAR
CHEBI:15785 biolink:ChemicalSubstance 1-(alk-1-enyl)-sn-glycero-3-phosphoethanolamine KEGG:C04635 phenio.json 1-(1-Alkenyl)-sn-glycero-3-phosphoethanolamine|1-Alkenylglycerophosphoethanolamine http://purl.obolibrary.org/obo/CHEBI_15785 3_STAR
CHEBI:15786 biolink:ChemicalSubstance 3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysine The 3-hydroxy derivative of N(6),N(6),N(6)-trimethyl-L-lysine KEGG:C01259 phenio.json 3-Hydroxy-N6,N6,N6-trimethyl-L-lysine|3-hydroxy-N(6),N(6),N(6)-trimethyl-L-lysin-N(6)-ium http://purl.obolibrary.org/obo/CHEBI_15786 3_STAR
CHEBI:15787 biolink:ChemicalSubstance deoxylimonoic acid D-ring-lactone KEGG:C04251 phenio.json 2,2'-[(2S,3R,4R)-3-[(1R,6S,8aR)-1-(3-furyl)-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-yl]-3-(hydroxymethyl)-5,5-dimethyltetrahydrofuran-2,4-diyl]diacetic acid|Deoxylimononic acid D-ring-lactone http://purl.obolibrary.org/obo/CHEBI_15787 3_STAR
CHEBI:15788 biolink:ChemicalSubstance 3,5-dichlorocatechol A dichlorocatechol carrying chloro groups at positions 3 and 5. CAS:13673-92-2|Gmelin:936961|KEGG:C02933|MetaCyc:35-DICHLOROCATECHOL|PDBeChem:35C|PMID:16637006|PMID:23409454|Reaxys:2209259|UM-BBD_compID:c0290 phenio.json 1,2-dihydroxy-4,6-dichlorobenzene|3,5-Dichlorocatechol|3,5-dichlorobenzene-1,2-diol|3,5-dichlorocatechol http://purl.obolibrary.org/obo/CHEBI_15788 3_STAR
CHEBI:15789 biolink:ChemicalSubstance 2'-O-methyllicodione A beta-diketone that is licodione in which the hydroxy group at position 2 of the 2,4-dihyroxyphenyl moiety has been converted into the its methyl ether. KEGG:C02922|KNApSAcK:C00006995|LIPID_MAPS_instance:LMPK12120397|MetaCyc:CPD-4302|Reaxys:3619661 phenio.json 1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione|2'-O-Methyllicodione http://purl.obolibrary.org/obo/CHEBI_15789 3_STAR
CHEBI:15791 biolink:ChemicalSubstance (S)-2-halocarboxylic acid Any carboxylic acid carrying an unspecified halogen substituent at the 2S-position. KEGG:C02103|MetaCyc:S-2-Haloacids phenio.json (S)-2-haloacid|(S)-2-haloacids|(S)-2-halocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_15791 3_STAR
CHEBI:15792 biolink:ChemicalSubstance malonate(2-) A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of malonic acid. CAS:156-80-9|DrugBank:DB02201|Gmelin:141932|KEGG:C00383|PDBeChem:MLI|Reaxys:3904386 phenio.json (-)OOC-CH2-COO(-)|MALONATE ION|malo|malonate|malonic acid, ion(2-)|propanedioate|propanedioic acid, ion(2-) http://purl.obolibrary.org/obo/CHEBI_15792 3_STAR
CHEBI:15793 biolink:ChemicalSubstance 3-hydroxyanthranilic acid An aminobenzoic acid that is benzoic acid substituted at C-2 by an amine group and at C-3 by a hydroxy group. It is an intermediate in the metabolism of the amino acid tryptophan. CAS:548-93-6|DrugBank:DB03644|HMDB:HMDB0001476|KEGG:C00632|KNApSAcK:C00007568|LINCS:LSM-20979|MetaCyc:3-HYDROXY-ANTHRANILATE|PDBeChem:3HA|PMID:11392499|PMID:13321971|PMID:22711758|PMID:22770225|PMID:24200862|PMID:9126284|Reaxys:973356|Wikipedia:3-hydroxyanthranilic_acid phenio.json 2-Amino-3-hydroxy-benzoic acid|2-Amino-3-hydroxybenzoic acid|2-amino-3-hydroxybenzoic acid|3-Hydroxyanthranilic acid|3-Ohaa|3-Oxyanthranilic acid http://purl.obolibrary.org/obo/CHEBI_15793 3_STAR
CHEBI:15794 biolink:ChemicalSubstance juglone A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities. CAS:481-39-0|Gmelin:219094|KEGG:C03840|KNApSAcK:C00000144|PDBeChem:JUG|PMID:19597959|PMID:23163769|PMID:27322260|PMID:27600097|PMID:27816681|PMID:28069455|PMID:28166217|Reaxys:1909764 phenio.json 5-Hydroxy-1,4-naphthoquinone|5-hydroxy-1,4-naphthalenedione|5-hydroxy-1,4-naphthoquinone|8-hydroxy-1,4-naphthoquinone|Juglone|juglone http://purl.obolibrary.org/obo/CHEBI_15794 3_STAR
CHEBI:15795 biolink:ChemicalSubstance protoaphin aglucone The aglycone of protaphin, a yellow hydroxylated quinoid pigment found in aphids. KEGG:C02879 phenio.json (1R,1'R,3R,3'R,4S,4'S)-4,4',7,7',9,9',10-heptahydroxy-1,1',3,3'-tetramethyl-3,3',4,4'-tetrahydro-1H,1'H-5,6'-binaphtho[2,3-c]pyran-5',10'-dione|Protoaphin aglucone|protaphin aglucone|protaphin aglycone|protoaphin aglycone http://purl.obolibrary.org/obo/CHEBI_15795 3_STAR
CHEBI:15799 biolink:ChemicalSubstance 1-palmitoyl-sn-glycerol 3-phosphate A 1-acyl-sn-glycerol 3-phosphate having palmitoyl as the acyl group. HMDB:HMDB0007853|KEGG:C04036|LIPID_MAPS_instance:LMGP10050006 phenio.json (2R)-2-hydroxy-3-(phosphonooxy)propyl hexadecanoate|(2R)-2-hydroxy-3-(phosphonooxy)propyl palmitate|1-Hexadecanoyl-sn-glycero-3-phosphate|1-Palmitoylglycerol 3-phosphate|LPA(16:0/0:0)|LysoPA(16:0/0:0)|Lysophosphatidic acid(16:0)|Lysophosphatidic acid(16:0/0:0) http://purl.obolibrary.org/obo/CHEBI_15799 3_STAR
CHEBI:15801 biolink:ChemicalSubstance (R)-2-hydroxyglutarate(2-) A 2-hydroxyglutarate(2-) that has (2R)-configuration. KEGG:C01087|MetaCyc:R-2-HYDROXYGLUTARATE phenio.json (2R)-2-hydroxypentanedioate|(R)-2-hydroxyglutarate http://purl.obolibrary.org/obo/CHEBI_15801 3_STAR
CHEBI:15802 biolink:ChemicalSubstance alpha,beta-didehydrotryptophan A dehydroamino acid that is the 2,3-didehydro derivative of tryptophan. CAS:57361-88-3|KEGG:C06732|PDBeChem:TRY|Reaxys:6327993 phenio.json (2Z)-2-amino-3-(1H-indol-3-yl)acrylic acid|(2Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid|(Z)-2-amino-3-(1H-indol-3-yl)acrylic acid|(Z)-2-amino-3-(1H-indol-3-yl)prop-2-enoic acid|alpha,beta-Didehydrotryptophan http://purl.obolibrary.org/obo/CHEBI_15802 3_STAR
CHEBI:15805 biolink:ChemicalSubstance D-octopine The (1R)-1-carboxyethyl derivative of L-arginine. It is a metabolite released by plant tumours. CAS:34522-32-2|KEGG:C04137|KNApSAcK:C00001549|MetaCyc:CPD-309|PMID:16662161|PMID:22496288|PMID:8188582|Reaxys:1729145|Wikipedia:Octopine phenio.json Arginine, N2-(1-carboxyethyl)-, L-|D-(+)-Octopine|D-Octopine|D-octopine|L-Arginine, N2-(1-carboxyethyl)-, (R)-|L-Arginine, N2-[(1R)-1-carboxyethyl]-|N(2)-(D-1-carboxyethyl)-L-arginine|N(2)-[(1R)-1-carboxyethyl]-L-arginine|N2-(1-Carboxyethyl)-L-arginine|N2-(D-1-Carboxyethyl)-L-arginine|Octopine http://purl.obolibrary.org/obo/CHEBI_15805 3_STAR
CHEBI:15807 biolink:ChemicalSubstance beta-L-arabinose 1-phosphate The beta-anomer of L-arabinose 1-phosphate. KEGG:C03906 phenio.json 1-O-phosphono-beta-L-arabinopyranose|beta-L-Arabinose 1-phosphate|beta-L-arabinopyranose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_15807 3_STAR
CHEBI:15808 biolink:ChemicalSubstance 12-dehydrotetracycline The 12-dehydro derivative of tetracycline. KEGG:C03206 phenio.json (4S,4aS,6S,12aS)-4-dimethylamino-3,6,10,12a-tetrahydroxy-6-methyl-1,11,12-trioxo-1,4,4a,5,6,11,12,12a-octahydrotetracene-2-carboxamide|12-Dehydrotetracycline http://purl.obolibrary.org/obo/CHEBI_15808 3_STAR
CHEBI:15809 biolink:ChemicalSubstance dolichyl D-mannosyl phosphate A polyprenyl glycosyl phosphate having dolichyl as the polyprenyl component and D-mannose as the glycosyl component. KEGG:C03862|KEGG:G10617|PMID:1176461 phenio.json Dolichyl D-mannosyl phosphate|Dolichyl phosphate D-mannose|alpha-{4-[hydroxy(D-mannopyranosyloxy)phosphoryloxy]-2-methylbutyl}-omega-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]poly[(2Z)-2-methylbut-2-ene-1,4-diyl] http://purl.obolibrary.org/obo/CHEBI_15809 3_STAR
CHEBI:15811 biolink:ChemicalSubstance O-phospho-L-serine The L-enantiomer of O-phosphoserine. CAS:407-41-0|Drug_Central:4120|Gmelin:675662|HMDB:HMDB0000272|KEGG:C01005|KNApSAcK:C00007287|MetaCyc:3-P-SERINE|PDBeChem:SEP|PMID:1368590|PMID:1550070|PMID:16665799|PMID:17765195|PMID:20696157|PMID:2190623|PMID:22581076|PMID:3924662|PMID:5583990|PMID:6526818|PMID:8017107|Patent:EP2444481|Reaxys:1726826|Wikipedia:3-phosphoserine phenio.json (+)-L-serine dihydrogen phosphate (ester)|(2S)-2-amino-3-(phosphonooxy)propanoic acid|(S)-2-amino-3-hydroxypropanoic acid 3-phosphate|3-Phosphoserine|Dexfosfoserine|L-O-Phosphoserine|O-Phospho-L-serine|O-phosphono-L-serine|O-phosphoserine|dexfosfoserine|phosphoserine http://purl.obolibrary.org/obo/CHEBI_15811 3_STAR
CHEBI:15812 biolink:ChemicalSubstance dolichyl beta-D-glucosyl phosphate A polyprenyl glycosyl phosphate having dolichyl as the polyprenyl component and beta-D-glucose as the glycosyl component. KEGG:C01246|KEGG:G10618 phenio.json Dolichyl beta-D-glucosyl phosphate|alpha-(3-methylbut-2-en-1-yl)-omega-{4-[(beta-D-glucopyranosyloxy)(hydroxy)phosphoryloxy]-2-methylbutyl}poly[(2E)-2-methylbut-2-ene-1,4-diyl] http://purl.obolibrary.org/obo/CHEBI_15812 3_STAR
CHEBI:15815 biolink:ChemicalSubstance quinolin-4-ol A monohydroxyquinoline carrying a hydroxy group at position 4. CAS:611-36-9|KEGG:C06343|MetaCyc:QUINOLIN-4-OL|PDBeChem:ES1|PMID:19862413|PMID:20642456|PMID:20990977|PMID:30809547|Reaxys:1524969 phenio.json 4-Chinolinol|4-hydroxyquinoline|4-quinolinol|Quinolin-4-ol|kynurine|quinolin-4-ol http://purl.obolibrary.org/obo/CHEBI_15815 3_STAR
CHEBI:15816 biolink:ChemicalSubstance D-arginine A D-alpha-amino acid that is the D-isomer of arginine. CAS:157-06-2|DrugBank:DB04027|Gmelin:364938|HMDB:HMDB0003416|KEGG:C00792|MetaCyc:CPD-220|PDBeChem:DAR|PMID:15540275|PMID:15723827|PMID:16912865|PMID:19651461|PMID:22518022|Reaxys:1725412 phenio.json (2R)-2-amino-5-(carbamimidamido)pentanoic acid|(2R)-2-amino-5-guanidinopentanoic acid|(R)-2-amino-5-guanidinopentanoic acid|D-2-Amino-5-guanidinovaleric acid|D-Arginin|D-Arginine|D-arginine|DAR http://purl.obolibrary.org/obo/CHEBI_15816 3_STAR
CHEBI:15817 biolink:ChemicalSubstance semiquinone An organic radical resulting from the formal addition of one hydrogen atom with its electron to a quinone (or from the formal removal of one hydrogen atom with its electron from the corresponding hydroquinone). KEGG:C05309|Wikipedia:Semiquinone phenio.json Benzosemiquinone|Semidione|Semiquinone|Semiquinone radical|semiquinones http://purl.obolibrary.org/obo/CHEBI_15817 3_STAR
CHEBI:15819 biolink:ChemicalSubstance N(6)-(dimethylallyl)adenosine 5'-monophosphate The N(6)-dimethylallyl derivative of adenosine 5'-monophosphate. CAS:20268-93-3|KEGG:C04713|KNApSAcK:C00007239|MetaCyc:CPD-4205|PMID:6712260|Reaxys:1054610 phenio.json Isopentenyl-AMP|N(6)-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate)|N(6)-(Delta(2)-isopentenyl)adenosine 5'-monophosphate|N(6)-(dimethylallyl)adenosine 5'-(dihydrogen phosphate)|N(6)-(dimethylallyl)adenosine 5'-phosphate|N(6)-dimethylallyl-5'-adenylic acid|N(6)-dimethylallyl-AMP|N(6)-isopentenyladenosine-5'-monophosphate|N-(3-Methyl-2-butenyl)-5'-adenylic acid|N6-(Dimethylallyl)adenosine 5'-phosphate|N6-(delta(2)-isopentenyl)adenosine 5'-monophosphate|N6-(delta2-Isopentenyl)-adenosine 5'-monophosphate|isopentenyl-AMP|isopentenyladenosine riboside-5'-monophosphate|isopentenyladenosine-5'-monophosphate http://purl.obolibrary.org/obo/CHEBI_15819 3_STAR
CHEBI:1582 biolink:ChemicalSubstance 3-methoxytyramine A monomethoxybenzene that is dopamine in which the hydroxy group at position 3 is replaced by a methoxy group. It is a metabolite of the neurotransmitter dopamine and considered a potential biomarker of pheochromocytomas and paragangliomas. CAS:554-52-9|Chemspider:1606|FooDB:FDB021876|HMDB:HMDB0000022|KEGG:C05587|KNApSAcK:C00042132|PMCID:PMC2965771|PMID:12105105|PMID:12138004|PMID:12649306|PMID:15120096|PMID:15542730|PMID:15556832|PMID:17954499|PMID:19309105|PMID:19897674|PMID:20976142|PMID:22008135|PMID:22563039|PMID:262188|PMID:26425473|PMID:26680494|PMID:27208558|PMID:27235704|PMID:2927387|PMID:29274926|PMID:30813742|PMID:30904545|PMID:31724812|PMID:31872013|PMID:32101397|PMID:32829134|PMID:33096053|PMID:33279210|PMID:33927450|PMID:33993248|PMID:34110302|PMID:3434205|PMID:34454132|PMID:34486152|PMID:34570657|PMID:34820673|PMID:35085004|PMID:35234981|PMID:35343638|PMID:35598694|PMID:4073504|PMID:4281061|PMID:6749220|PMID:7004664|PMID:7251775|PMID:872373|PMID:9834968|Wikipedia:3-Methoxytyramine phenio.json 2-(4-hydroxy-3-methoxyphenyl)ethylamine|2-methoxy-4-(2-aminoethyl)phenol|3-MT|3-O-methyldopamine|3-methoxy-4-hydroxyphenethylamine|3-methoxy-p-tyramine|3-methoxydopamine|3MT|4-(2-amino-ethyl)-2-methoxy-phenol|4-(2-aminoethyl)-2-methoxy-phenol|4-(2-aminoethyl)-2-methoxyphenol|4-(2-azanylethyl)-2-methoxy-phenol|4-hydroxy-3-methoxy-2-phenethylamine|4-hydroxy-3-methoxy-beta-phenethylamine|4-hydroxy-3-methoxyphenethylamine|4-hydroxy-3-methoxyphenylethylamine|5-(2-aminoethyl)guaiacol|beta-(4-hydroxy-3-methoxyphenyl)ethylamine|homovanillinamine|homovanillylamine http://purl.obolibrary.org/obo/CHEBI_1582 3_STAR
CHEBI:15820 biolink:ChemicalSubstance GDP-alpha-D-mannose The alpha-anomer of GDP-D-mannose. CAS:3123-67-9|HMDB:HMDB0001163|KEGG:C00096|KEGG:G10614|KNApSAcK:C00007246|MetaCyc:GDP-MANNOSE|PDBeChem:GDD|PMID:12651883|PMID:13143040|PMID:22539165|PMID:5131017|Reaxys:79013 phenio.json GDP-D-mannose|GDPmannose|Guanosine 5'-(trihydrogen diphosphate), mono-alpha-D-mannopyranosyl ester|Guanosine diphosphate mannose|Guanosine diphosphomannose|Guanosine pyrophosphate mannose|guanosine 5'-[3-(alpha-D-mannopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_15820 3_STAR
CHEBI:15821 biolink:ChemicalSubstance 5-hydroxy-6-methylpyridine-3-carboxylic acid The 5-hydroxy-6-methyl derivative of nicotinic acid. KEGG:C01270|PDBeChem:3HM phenio.json 3-Hydroxy-2-methylpyridine-5-carboxylate|5-hydroxy-6-methylnicotinic acid|5-hydroxy-6-methylpyridine-3-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_15821 3_STAR
CHEBI:15822 biolink:ChemicalSubstance 17alpha-estradiol 3-glucosiduronic acid A steroid glucosiduronic acid that is 17alpha-estradiol having a single beta-D-glucuronic acid residue attached at position 3. KEGG:C04300 phenio.json 17alpha-estradiol 3-glucuronide|17alpha-hydroxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid|Estradiol-17alpha 3-D-glucuronoside http://purl.obolibrary.org/obo/CHEBI_15822 3_STAR
CHEBI:15824 biolink:ChemicalSubstance D-fructose Fructose is a levorotatory monosaccharide and an isomer of glucose. Although fructose is a hexose (6 carbon sugar), it generally exists as a 5-member hemiketal ring (a furanose). CAS:57-48-7|HMDB:HMDB0000660|KEGG:C00095|MetaCyc:FRU|PDBeChem:FRU|PMID:22735334 phenio.json D-Fru|D-arabino-Hexulose|D-arabino-hex-2-ulose|D-fructose|D-laevulose|Fruit sugar|Laevulose|Levulose http://purl.obolibrary.org/obo/CHEBI_15824 3_STAR
CHEBI:15825 biolink:ChemicalSubstance 3-methylbut-2-enal An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1. CAS:107-86-8|HMDB:HMDB0012157|KEGG:C07330|MetaCyc:PRENAL|PMID:1120289|PMID:24254865|PMID:8319634|Reaxys:1734740 phenio.json 3,3-Dimethyl-acrylaldehyde|3,3-Dimethylacrolein|3-Methyl-2-butenal|3-Methylbut-2-enal|3-Methylcrotonaldehyde|3-methyl-2-butenal|3-methylbut-2-enal|Prenal|Senecialdehyde|Senecioaldehyde|beta,beta-Dimethylacrolein|beta-Methylcrotonaldehyde http://purl.obolibrary.org/obo/CHEBI_15825 3_STAR
CHEBI:15826 biolink:ChemicalSubstance 16alpha-hydroxyprogesterone Beilstein:3105361|CAS:438-07-3|KEGG:C03748 phenio.json 16-alpha-Hydroxyprogesterone|16alpha-Hydroxyprogesterone|16alpha-hydroxypregn-4-ene-3,20-dione|16alpha-hydroxyprogesterone http://purl.obolibrary.org/obo/CHEBI_15826 3_STAR
CHEBI:15829 biolink:ChemicalSubstance L-serine O-sulfate A non-proteinogenic L-alpha-amino acid that is the O-sulfo derivative of L-serine. CAS:626-69-7|KEGG:C02703|MetaCyc:CPD-673|PDBeChem:OSE|PMID:4311034|PMID:6812624 phenio.json L-Serine O-sulfate|L-serine O-(hydrogen sulfate)|O-sulfonato-L-serine|Serine O-sulfate http://purl.obolibrary.org/obo/CHEBI_15829 3_STAR
CHEBI:15830 biolink:ChemicalSubstance 8-amino-7-oxononanoic acid The 8-amino-7-oxo derivative of nonanoic acid. KEGG:C01092|KNApSAcK:C00000758|LIPID_MAPS_instance:LMFA01060168 phenio.json 8-Amino-7-oxononanoic acid http://purl.obolibrary.org/obo/CHEBI_15830 3_STAR
CHEBI:15831 biolink:ChemicalSubstance geranylgeranyl diphosphate A polyprenol diphosphate having geranylgeranyl as the polyprenyl component. DrugBank:DB07841|LINCS:LSM-36848 phenio.json 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_15831 3_STAR
CHEBI:15832 biolink:ChemicalSubstance urea-1-carboxylate An organic anion resulting from the deprotonation of the carboxy group of urea-1-carboxylic acid. KEGG:C01010|UM-BBD_compID:c0777 phenio.json (aminocarbonyl)carbamate|urea-1-carboxylate http://purl.obolibrary.org/obo/CHEBI_15832 3_STAR
CHEBI:15833 biolink:ChemicalSubstance sulcatol AGR:IND23339368|CAS:1569-60-4|CAS:4630-06-2|KEGG:C07288 phenio.json 6-Methyl-5-hepten-2-ol|6-Methylhept-5-en-2-ol|6-methyl-5-hepten-2-ol|6-methylhept-5-en-2-ol|Sulcatol|sulcatol http://purl.obolibrary.org/obo/CHEBI_15833 3_STAR
CHEBI:15834 biolink:ChemicalSubstance 1-O-galloyl-beta-D-glucose A galloyl-beta-D-glucose compound having a galloyl group at the 1-position. CAS:554-37-0|KEGG:C01158|KNApSAcK:C00002652|Wikipedia:Glucogallin phenio.json 1-Galloyl-beta-D-glucose|1-Galloyl-beta-glucose|1-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose|1-O-Galloyl-beta-D-glucose|1-O-galloyl-beta-D-glucose|beta-Glucogallin http://purl.obolibrary.org/obo/CHEBI_15834 3_STAR
CHEBI:15835 biolink:ChemicalSubstance 1-acylglycerone 3-phosphate A glycerone 3-phosphate having an unspecified O-acyl substituent at the 1-position. KEGG:C03372 phenio.json 1-Acyl-glycerone 3-phosphate|1-acylglycerone 3-phosphates|Acylglycerone phosphate|Dihydroxyacetone phosphate acyl ester http://purl.obolibrary.org/obo/CHEBI_15835 3_STAR
CHEBI:15836 biolink:ChemicalSubstance 4-phospho-L-aspartic acid The 4-phospho derivative of L-aspartic acid. CAS:22138-53-0|KEGG:C03082|KNApSAcK:C00007471|PDBeChem:PHD phenio.json (2S)-2-amino-4-oxo-4-(phosphonooxy)butanoic acid|4-oxo-O-phosphono-L-homoserine|4-phospho-L-aspartic acid|L-4-Aspartyl phosphate|L-aspart-4-yl phosphate|L-beta-aspartyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_15836 3_STAR
CHEBI:15837 biolink:ChemicalSubstance isoamylol An primary alcohol that is butan-1-ol in which a hydrogen at position 3 has been replaced by a methyl group. CAS:123-51-3|DrugBank:DB02296|Gmelin:49460|HMDB:HMDB0006007|KEGG:C07328|PMID:23043843|PMID:23698045|PMID:24487533|PMID:24767042|PMID:24804072|PMID:24862930|Reaxys:1718835|YMDB:YMDB00570 phenio.json 1-HYDROXY-3-METHYLBUTANE|2-methyl-4-butanol|3-Methylbutanol|3-methyl-1-butanol|3-methylbutan-1-ol|3-methylbutanol|Iso-amylalkohol|Isoamyl alcohol|Isopentyl alcohol|Isopentylalkohol|alcool isoamylique|i-amyl alcohol|isoamylol|isobutylcarbinol|isopentan-1-ol|isopentanol|primary isoamyl alcohol http://purl.obolibrary.org/obo/CHEBI_15837 3_STAR
CHEBI:15838 biolink:ChemicalSubstance (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanic acid A cephalosporin having an acetoxy group at the 3-position and a 5-carboxy-5-oxopentanamido group at the 7-position. Beilstein:5395497|KEGG:C04712 phenio.json (6R,7R)-3-(acetoxymethyl)-7-[(5-carboxy-5-oxopentanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(7R)-7-(5-Carboxy-5-oxopentanoyl)aminocephalosporinate|(7R)-7-(5-carboxy-5-oxopentanoyl)aminocephalosporinic acid|7-(5-Carboxyl-5-oxopentanyl)-aminocephalosporinate http://purl.obolibrary.org/obo/CHEBI_15838 3_STAR
CHEBI:15840 biolink:ChemicalSubstance N-acylneuraminic acid 9-phosphate An N-acylneuraminic acid phosphate having the phosphate group at the 9-position. KEGG:C01200 phenio.json N-Acylneuraminate 9-phosphate|N-acylneuraminic acid 9-phosphate|N-acylneuraminic acid 9-phosphates http://purl.obolibrary.org/obo/CHEBI_15840 3_STAR
CHEBI:15841 biolink:ChemicalSubstance polypeptide A peptide containing ten or more amino acid residues. KEGG:C00403 phenio.json Polypeptid|Polypeptide|polipeptido|polypeptides http://purl.obolibrary.org/obo/CHEBI_15841 3_STAR
CHEBI:15842 biolink:ChemicalSubstance orotidine 5'-phosphate A pyrimidine ribonucleoside 5'-monophosphate having 6-carboxyuracil as the nucleobase. CAS:2149-82-8|KEGG:C01103|KNApSAcK:C00007583|PDBeChem:OMP phenio.json 2,6-dioxo-3-(5-O-phosphono-beta-D-ribofuranosyl)-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid|6-carboxy-5'-uridylic acid|Orotidine 5'-phosphate|Orotidylic acid|orotidine 5'-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_15842 3_STAR
CHEBI:15843 biolink:ChemicalSubstance arachidonic acid A long-chain fatty acid that is a C20, polyunsaturated fatty acid having four (Z)-double bonds at positions 5, 8, 11 and 14. CAS:506-32-1|DrugBank:DB04557|Gmelin:58972|HMDB:HMDB0001043|KEGG:C00219|KNApSAcK:C00000388|LIPID_MAPS_instance:LMFA01030001|MetaCyc:ARACHIDONIC_ACID|PDBeChem:ACD|PMID:15129302|PMID:18931599|PMID:18973997|PMID:25584012|PMID:2820055|Reaxys:1913991|Wikipedia:Arachidonic_acid phenio.json (5Z,8Z,11Z,14Z)-5,8,11,14-icosatetraenoic acid|(5Z,8Z,11Z,14Z)-Icosatetraenoic acid|(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid|AA|ARA|ARACHIDONIC ACID|Arachidonate|Arachidonic acid|Arachidonsaeure|all-cis-5,8,11,14-eicosatetraenoic acid|cis-5,8,11,14-Eicosatetraenoic acid|cis-Delta(5,8,11,14)-eicosatetraenoic acid http://purl.obolibrary.org/obo/CHEBI_15843 3_STAR
CHEBI:15844 biolink:ChemicalSubstance 1D-myo-inositol 3,4,5,6-tetrakisphosphate A myo-inositol tetrakisphosphate having the four phosphate groups placed at the 3-, 4-, 5- and 6-positions. Beilstein:5466782|CAS:112791-61-4|KEGG:C04520 phenio.json 1D-myo-Inositol 3,4,5,6-tetrakisphosphate|1L-myo-inositol 1,4,5,6-tetrakis(dihydrogen phosphate)|D-myo-Inositol 3,4,5,6-tetrakisphosphate|Inositol-3,4,5,6-tetraphosphate|Ins-3,4,5,6-P4|myo-Inositol-3,4,5,6-tetrakisphosphate http://purl.obolibrary.org/obo/CHEBI_15844 3_STAR
CHEBI:15845 biolink:ChemicalSubstance keto-L-tagatose 6-phosphate The open chain form of L-tagatose 6-phosphate MetaCyc:CPD-15828 phenio.json 6-O-phosphono-L-tagatose|keto-L-lyxo-hex-2-ulose 6-(dihydrogen phosphate)|keto-L-tagatose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_15845 3_STAR
CHEBI:15846 biolink:ChemicalSubstance NAD(+) The oxidised form of nicotinamide adenine dinucleotide found in all living cells. In metabolism, NAD(+) is involved in redox reactions, carrying electrons from one reaction to another. Beilstein:4120619|CAS:53-84-9|COMe:MOL000026|DrugBank:DB01907|ECMDB:ECMDB00902|Gmelin:544242|HMDB:HMDB0000902|KEGG:C00003|KEGG:D00002|KNApSAcK:C00007256|LINCS:LSM-4965|PDBeChem:NAJ|Reaxys:3584133|YMDB:YMDB00110 phenio.json DPN|Diphosphopyridine nucleotide|NAD|NAD+|Nadide|Nicotinamide adenine dinucleotide|adenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}|beta-NAD http://purl.obolibrary.org/obo/CHEBI_15846 3_STAR
CHEBI:15847 biolink:ChemicalSubstance 2-(alpha-D-mannosyl)-D-glyceric acid A D-mannosyl-D-glyceric acid where an alpha-D-mannosyl residue is attached at the 2-position. KEGG:C11544 phenio.json (2R)-3-hydroxy-2-(alpha-D-mannopyranosyloxy)propanoic acid|2(alpha-D-Mannosyl)-D-glycerate|2-O-alpha-Mannosyl-D-glycerate|alpha-Mannosylglycerate http://purl.obolibrary.org/obo/CHEBI_15847 3_STAR
CHEBI:15848 biolink:ChemicalSubstance dTDP-galactose KEGG:C02097 phenio.json dTDPgalactose|thymidine 5'-(3-galactopyranosyl dihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_15848 3_STAR
CHEBI:15849 biolink:ChemicalSubstance aryl(methyl)malonic acid KEGG:C06388 phenio.json 2-Aryl-2-methylmalonate|aryl(methyl)malonic acids http://purl.obolibrary.org/obo/CHEBI_15849 3_STAR
CHEBI:15850 biolink:ChemicalSubstance 1-O-alkyl-sn-glycerol A chiral alkylglycerol having the alkyl group at the 1-position. KEGG:C02773 phenio.json 1-Alkyl-sn-glycerol|1-O-alkyl-sn-glycerols|1-alkyl-sn-glycerols|a 1-O-alkyl-sn-glycerol http://purl.obolibrary.org/obo/CHEBI_15850 3_STAR
CHEBI:15851 biolink:ChemicalSubstance 3-(uracil-1-yl)-L-alanine The 3-(uracil-1-yl) derivative of L-alanine. Beilstein:20710|CAS:21416-43-3|DrugBank:DB04129|KEGG:C03584|KNApSAcK:C00001399|PDBeChem:HWD phenio.json 2-AMINO-3-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID|3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-L-alanine|3-(Uracil-1-yl)-L-alanine|3-(uracil-1-yl)-L-alanine|Willardiine http://purl.obolibrary.org/obo/CHEBI_15851 3_STAR
CHEBI:15852 biolink:ChemicalSubstance aquacob(III)alamin CAS:13422-52-1|HMDB:HMDB0003458|KEGG:C00992|MetaCyc:AQUACOBIIIALAMIN phenio.json Aquacob(III)alamin|Aquacobalamin|Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-aquacobamide|H2OCbl|aquacob(III)alamin|aquacobalamin|vitamin B-12a http://purl.obolibrary.org/obo/CHEBI_15852 3_STAR
CHEBI:15854 biolink:ChemicalSubstance quinine A cinchona alkaloid that is cinchonidine in which the hydrogen at the 6-position of the quinoline ring is substituted by methoxy. Beilstein:91867|CAS:130-95-0|DrugBank:DB00468|Drug_Central:4523|KEGG:C06526|KEGG:D08460|KNApSAcK:C00002193|PMID:10821711|PMID:10891117|PMID:10937718|PMID:11212126|PMID:11549443|PMID:11728183|PMID:11844668|PMID:11855978|PMID:12127529|PMID:12213073|PMID:12217353|PMID:12477351|PMID:12502361|PMID:12798326|PMID:12873511|PMID:14761192|PMID:15026051|PMID:15027870|PMID:15225721|PMID:15857133|PMID:16524728|PMID:16933872|PMID:17482816|PMID:17506538|PMID:17570664|PMID:17850126|PMID:18348514|PMID:18788725|PMID:2579237|PMID:2657065|PMID:7009867|PMID:8182707|Wikipedia:Quinine phenio.json (-)-Quinine|(-)-quinine|(8S,9R)-quinine|(9R)-6'-methoxy-8alpha-cinchonan-9-ol|(R)-(-)-quinine|(R)-(6-methoxyquinolin-4-yl)((2S,4S,8R)-8-vinylquinuclidin-2-yl)methanol|6'-methoxycinchonidine|Chinin|Quinine|chinine|chininum|quinina|quinine http://purl.obolibrary.org/obo/CHEBI_15854 3_STAR
CHEBI:15855 biolink:ChemicalSubstance UDP-6-sulfoquinovose A UDP-sugar having 6-sulfoquinovose as the sugar component. KEGG:C11521|PDBeChem:USQ phenio.json UDP-6-sulfoquinovose|uridine 5'-[3-(6-deoxy-6-sulfo-alpha-D-glucopyranosyl) dihydrogen diphosphate]|uridine 5'-[3-(6-sulfo-alpha-D-quinovopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_15855 3_STAR
CHEBI:15857 biolink:ChemicalSubstance 5-L-glutamyl amino acid A dipeptide that consists of any C-terminal amino acid having an L-gamma-glutamyl residue attached at the N(alpha)-position. KEGG:C03363 phenio.json 5-L-Glutamyl amino acid|L-gamma-Glutamyl amino acid|L-gamma-glutamyl amino acid|N(alpha)-(L-gamma-glutamyl) amino acid http://purl.obolibrary.org/obo/CHEBI_15857 3_STAR
CHEBI:15858 biolink:ChemicalSubstance bromide Beilstein:3587179|CAS:24959-67-9|Gmelin:14908|KEGG:C00720|KEGG:C01324|PDBeChem:BR phenio.json BROMIDE ION|Br(-)|Br-|Bromide|bromide|bromide(1-)|bromine anion http://purl.obolibrary.org/obo/CHEBI_15858 3_STAR
CHEBI:15859 biolink:ChemicalSubstance N-carbamoyl-L-aspartic acid The L-enantiomer N-carbamoylaspartic acid. CAS:13184-27-5|DrugBank:DB04252|HMDB:HMDB0000828|KEGG:C00438|KNApSAcK:C00007265|PDBeChem:NCD|PMID:17439666|Reaxys:1726860|Wikipedia:Carbamoyl_aspartic_acid phenio.json Carbamyl-L-aspartic acid|L-ureidosuccinic acid|N-(aminocarbonyl)-L-aspartic acid|N-CARBAMOYL-L-ASPARTATE|N-Carbamoyl-L-aspartate|N-carbamoyl-L-aspartic acid|N-carbamoyl-S-aspartic acid|carbamyl-L-aspartic acid http://purl.obolibrary.org/obo/CHEBI_15859 3_STAR
CHEBI:15860 biolink:ChemicalSubstance N-methylhexanamide KEGG:C02722 phenio.json N-Methylhexanamide|N-methylcaproamide|N-methylhexanamide http://purl.obolibrary.org/obo/CHEBI_15860 3_STAR
CHEBI:15861 biolink:ChemicalSubstance trichodiene CAS:28624-60-4|KEGG:C01860|KNApSAcK:C00012601|LIPID_MAPS_instance:LMPR0103180001 phenio.json (4S)-1,4-dimethyl-4-[(1S)-1-methyl-2-methylidenecyclopentyl]cyclohexene|1,4-dimethyl-4-(1-methyl-2-methylenecyclopentyl)cyclohexene|Trichodiene|trichodiene http://purl.obolibrary.org/obo/CHEBI_15861 3_STAR
CHEBI:15862 biolink:ChemicalSubstance ethylamine A two-carbon primary aliphatic amine. CAS:75-04-7|Gmelin:897|HMDB:HMDB0013231|KEGG:C00797|MetaCyc:ETHANAMINE|PDBeChem:NEH|PMID:10930630|PMID:11074065|Reaxys:505933|Wikipedia:Ethylamine phenio.json 1-aminoethane|ETHANAMINE|Ethylamine|aminoethane|ethanamine http://purl.obolibrary.org/obo/CHEBI_15862 3_STAR
CHEBI:15864 biolink:ChemicalSubstance luteolin A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3', 4', 5 and 7. It is thought to play an important role in the human body as an antioxidant, a free radical scavenger, an anti-inflammatory agent and an immune system modulator as well as being active against several cancers. CAS:491-70-3|Chemspider:4444102|DrugBank:DB15584|FooDB:FDB013255|HMDB:HMDB0005800|KEGG:C01514|KNApSAcK:C00000674|LINCS:LSM-5229|LIPID_MAPS_instance:LMPK12110006|MetaCyc:5734-TETRAHYDROXYFLAVONE|PDBeChem:LU2|PMID:11478688|PMID:11897650|PMID:14574115|PMID:18720166|PMID:18946424|PMID:18991571|PMID:19263826|PMID:19509250|PMID:19854181|PMID:21899269|PMID:22391103|PMID:22749133|PMID:22794353|PMID:22842046|PMID:23035972|PMID:23229294|PMID:23574272|PMID:26020516|PMID:26322379|PMID:27595800|PMID:27764981|PMID:27853236|PMID:27878246|PMID:27879665|PMID:27886116|PMID:27919958|PMID:27927066|PMID:27959422|PMID:28004344|PMID:28029146|PMID:28031430|PMID:28035396|PMID:28067377|PMID:28069121|PMID:28071803|PMID:28090531|PMID:28096694|PMID:28101184|PMID:28101223|PMID:28110189|PMID:28111945|PMID:28112209|PMID:28113103|PMID:28166217|PMID:29423013|PMID:30624931|PMID:32883638|Reaxys:292084|Wikipedia:Luteolin phenio.json 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-benzopyrone|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one|3',4',5,7-Tetrahydroxyflavone|5,7,3',4'-Tetrahydroxyflavone|Luteolin|Luteolol|Salifazide|digitoflavone|flacitran http://purl.obolibrary.org/obo/CHEBI_15864 3_STAR
CHEBI:15865 biolink:ChemicalSubstance 6-phospho-2-dehydro-D-gluconate(1-) phenio.json 6-O-phosphono-D-arabino-hex-2-ulosonate|6-O-phosphono-D-fructosonate http://purl.obolibrary.org/obo/CHEBI_15865 3_STAR
CHEBI:15866 biolink:ChemicalSubstance 2-deoxy-D-glucose A deoxyglucose that is D-glucose in which the hydroxy group at position 2 has been replaced by a hydrogen. It is an antimetabolite of glucose with antiviral activity, which acts by inhibiting the glycosylation of glycoproteins and glycolipids. Used as an antiherpes agent. CAS:154-17-6|KEGG:C00586|MetaCyc:2-DEOXY-D-GLUCOSE|PMID:17908557|Wikipedia:2-Deoxy-D-glucose phenio.json 2-Deoxy-D-arabino-hexose|2-Deoxy-D-glucose|2-Deoxy-D-mannose|2-deoxy-D-arabino-hexose|D-2dGlc|D-arabino-2-Deoxyhexose|Deoxyglucose http://purl.obolibrary.org/obo/CHEBI_15866 3_STAR
CHEBI:15867 biolink:ChemicalSubstance D-xylono-1,5-lactone Beilstein:7020302|KEGG:C02266 phenio.json (3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-one|D-Xylono-1,5-lactone|D-Xylonolactone|D-xylono-1,5-lactone http://purl.obolibrary.org/obo/CHEBI_15867 3_STAR
CHEBI:15868 biolink:ChemicalSubstance CDP-N-methylethanolamine A nucleotide-(amino alcohol) that is the N-methyl derivative of CDP-ethanolamine. KEGG:C03486 phenio.json CDP-N-methylethanolamine|cytidine 5'-{3-[2-(methylamino)ethyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15868 3_STAR
CHEBI:15870 biolink:ChemicalSubstance betaine aldehyde hydrate A quaternary ammonium ion that is the hydrate of betaine aldehyde. KEGG:C07345|MetaCyc:BETAINE-ALDEHYDE-HYDRATE|Reaxys:1741515 phenio.json 2,2-dihydroxy-N,N,N-trimethylethanaminium|betaine aldehyde hydrate|glycine betaine aldehyde hydrate http://purl.obolibrary.org/obo/CHEBI_15870 3_STAR
CHEBI:15871 biolink:ChemicalSubstance o-orsellinate depside CAS:480-56-8|KEGG:C02868|KNApSAcK:C00017999|LINCS:LSM-25637|LIPID_MAPS_instance:LMPK13080001 phenio.json 2,4-Dihydroxy-6-methylbenzoic acid 4-carboxy-3-hydroxy-5-methylphenyl ester|4-(2,4-dihydroxy-6-methylbenzoyloxy)-2-hydroxy-6-methylbenzoic acid|Lecanoric acid|Orsellinate depside http://purl.obolibrary.org/obo/CHEBI_15871 3_STAR
CHEBI:15873 biolink:ChemicalSubstance alpha-D-glucosamine 6-phosphate A 2-amino-2-deoxy-D-glucopyranose 6-phosphate that has an alpha-configuration at the anomeric position. DrugBank:DB02657|HMDB:HMDB0001254|KEGG:C00352|MetaCyc:CPD-13469|PDBeChem:GLP|PMID:18842060|Reaxys:8137152 phenio.json 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose|2-amino-2-deoxy-alpha-D-glucopyranose 6-(dihydrogen phosphate)|GLUCOSAMINE 6-PHOSPHATE|alpha-D-glucosamine 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_15873 3_STAR
CHEBI:15874 biolink:ChemicalSubstance N(2)-malonyl-D-tryptophan KEGG:C03414|KNApSAcK:C00000118 phenio.json (2R)-2-[(carboxyacetyl)amino]-3-(1H-indol-3-yl)propanoic acid|N-(carboxyacetyl)-D-tryptophan|N2-Malonyl-D-tryptophan http://purl.obolibrary.org/obo/CHEBI_15874 3_STAR
CHEBI:15877 biolink:ChemicalSubstance L-lupinate KEGG:C01513 phenio.json (S)-2-amino-3-{[(E)-4-hydroxy-3-methylbut-2-enylamino]purin-9-yl}propanoate|3-[N(6)-(4-hydroxyisopentenyl)adeninyl]-L-alaninate|3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-L-alaninate http://purl.obolibrary.org/obo/CHEBI_15877 3_STAR
CHEBI:15878 biolink:ChemicalSubstance 10-hydroxydihydrosanguinarine A benzophenanthridine alkaloid comprising dihydrosanguinarine carrying a hydroxy substituent at the 10-position. KEGG:C05247|PMID:15921406|Reaxys:5832685 phenio.json 10-Hydroxydihydrosanguinarine|10-hydroxydihydrosanguinarine|13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridin-5-ol http://purl.obolibrary.org/obo/CHEBI_15878 3_STAR
CHEBI:15880 biolink:ChemicalSubstance S-methyl 3-phospho-1-thio-D-glycerate The methyl thiolester of 3-phospho-1-thio-D-glyceric acid. KEGG:C04399 phenio.json S-Methyl-3-phospho-1-thio-D-glycerate|S-methyl (2R)-2-hydroxy-3-(phosphonooxy)propanethioate http://purl.obolibrary.org/obo/CHEBI_15880 3_STAR
CHEBI:15881 biolink:ChemicalSubstance 2-oxopropyl-CoM The S-(2-oxopropyl) derivative of coenzyme M. KEGG:C11497|PDBeChem:KPC|UM-BBD_compID:c0781 phenio.json 2-(2-Oxopropylthio)ethanesulfonate|2-Oxopropyl-CoM|2-[(2-oxopropyl)sulfanyl]ethanesulfonic acid|2-ketopropyl-CoM http://purl.obolibrary.org/obo/CHEBI_15881 3_STAR
CHEBI:15882 biolink:ChemicalSubstance phenol An organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols. CAS:108-95-2|DrugBank:DB03255|Drug_Central:4266|Gmelin:2794|HMDB:HMDB0000228|KEGG:C00146|KEGG:C15584|KEGG:D00033|KEGG:D06536|KNApSAcK:C00002664|PDBeChem:IPH|PMID:12058733|PMID:16953321|PMID:17852157|PMID:19029204|PMID:20886261|PMID:21492257|PMID:21689881|PMID:21809019|PMID:21822930|Reaxys:969616|UM-BBD_compID:c0128|Wikipedia:Phenol phenio.json Benzenol|Carbolsaeure|Hydroxybenzene|Karbolsaeure|Oxybenzene|PHENOL|PhOH|Phenic acid|Phenol|Phenylic acid|Phenylic alcohol|acide carbolique|acide phenique|carbolic acid|phenol http://purl.obolibrary.org/obo/CHEBI_15882 3_STAR
CHEBI:15883 biolink:ChemicalSubstance P(1),P(4)-bis(5'-guanosyl) tetraphosphate A purine ribonucleoside 5'-tetraphosphate compound having 5'-guanosyl residues at the P(1)- and P(4)-positions. CAS:4130-19-2|KEGG:C01261 phenio.json (ppG)2|Bis(5'-guanosyl) tetraphosphate|Diguanosine tetraphosphate|G(5')p4(5')G|GP4G|GppppG|P(1),P(4)-bis(5'-guanosyl) tetrahydrogen tetraphosphate|P1,P4-Bis(5'-guanosyl) tetraphosphate|P1,P4-bis(5'-guanosyl) tetraphosphate|bis(guanylyl) diphosphate|guanosine(5')tetraphospho(5')guanosine http://purl.obolibrary.org/obo/CHEBI_15883 3_STAR
CHEBI:15884 biolink:ChemicalSubstance tropine A derivative of tropane having a hydroxy group at the 3-position. Beilstein:80188|CAS:120-29-6|KEGG:C00729|KNApSAcK:C00002306|PMID:19924779|PMID:21420927|PMID:22349358|Patent:CN101643472|Patent:CN101643473|Patent:US2010087364 phenio.json (3-endo)-8-methyl-8-azabicyclo[3.2.1]octan-3-ol|1alphaH,5alphaH-tropan-3alpha-ol|3alpha-Tropanol|3alpha-tropanol|8-methyl-8-azabicyclo[3.2.1]octan-3-ol|Tropine|endo-8-methyl-8-azabicyclo[3.2.1]octan-3-ol|tropan-3alpha-ol|tropanol http://purl.obolibrary.org/obo/CHEBI_15884 3_STAR
CHEBI:15885 biolink:ChemicalSubstance L-2-amino-4-chloropent-4-enoic acid An alpha-amino acid having a 2-chloro-2-propenyl group at the alpha-position and L-configuration. Beilstein:3933203|CAS:55528-30-8|KEGG:C04075 phenio.json (2S)-2-amino-4-chloropent-4-enoic acid|(S)-2-amino-4-chloro-4-pentenoic acid|2-Amino-4-chloro-4-pentenoic acid http://purl.obolibrary.org/obo/CHEBI_15885 3_STAR
CHEBI:15886 biolink:ChemicalSubstance UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate KEGG:C04573 phenio.json UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate|UDP-N-acetyl-D-glucosaminouronate http://purl.obolibrary.org/obo/CHEBI_15886 3_STAR
CHEBI:15887 biolink:ChemicalSubstance 5-aminopentanoic acid A delta-amino acid comprising pentanoic acid with an amino substituent at C-5; a methylene homologue of gamma-aminobutyric acid (GABA) that is a weak GABA agonist. CAS:660-88-8|Gmelin:405633|HMDB:HMDB0003355|KEGG:C00431|LIPID_MAPS_instance:LMFA01100040|MetaCyc:5-AMINOPENTANOATE|PMID:10930630|PMID:11991139|PMID:1268741|PMID:1316620|PMID:15150230|PMID:2823166|PMID:3004997|PMID:4031870|PMID:4301045|PMID:494814|PMID:6031429|PMID:6408913|PMID:6436440|Reaxys:906833 phenio.json 5-Aminopentanoate|5-Aminopentanoic acid|5-Aminovaleric acid|5-amino-n-valeric acid|5-aminopentanoic acid|DANVA|delta-Amino-n-valeric acid|delta-aminovaleric acid http://purl.obolibrary.org/obo/CHEBI_15887 3_STAR
CHEBI:15888 biolink:ChemicalSubstance 5-oxohexanoic acid A medium-chain fatty acid comprising hexanoic acid carrying a 5-oxo group. CAS:3128-06-1|KEGG:C02129|LIPID_MAPS_instance:LMFA01060010|PDBeChem:4AT|PMID:2505723|PMID:3715925|Patent:EP0062305|Reaxys:385840 phenio.json 4-Acetylbutyric acid|4-acetyl-butanoic acid|4-acetyl-butyric acid|5-Ketocaproic acid|5-Ketohexanoic acid|5-Oxohexanoate|5-Oxohexanoic acid|5-keto-n-caproic acid|5-oxocaproic acid|5-oxohexanoic acid|delta-Ketocaproic acid|delta-Oxocaproic acid|gamma-Acetylbutyric acid http://purl.obolibrary.org/obo/CHEBI_15888 3_STAR
CHEBI:15889 biolink:ChemicalSubstance sterol Any 3-hydroxy steroid whose skeleton is closely related to cholestan-3-ol (additional carbon atoms may be present in the side chain). KEGG:C00370|LIPID_MAPS_class:LMST01|MetaCyc:Sterols|Wikipedia:Sterol phenio.json 3-hydroxysteroids|Sterol|a sterol|sterols http://purl.obolibrary.org/obo/CHEBI_15889 3_STAR
CHEBI:15890 biolink:ChemicalSubstance 5,6-dimethylbenzimidazole A dimethylbenzimidazole carrying methyl substituents at positions 5 and 6. CAS:582-60-5|DrugBank:DB02591|Gmelin:279255|HMDB:HMDB0003701|KEGG:C03114|MetaCyc:DIMETHYLBENZIMIDAZOLE|PDBeChem:DMD|PMID:23479751|Reaxys:116595|Wikipedia:Dimethylbenzimidazole phenio.json 5,6-DIMETHYLBENZIMIDAZOLE|5,6-Dimethylbenzimidazole|5,6-dimethyl-1H-benzimidazole|5,6-dimethylbenzimidazole|Dimedazol|Dimedazole|Dimesol|Dimethylbenzimidazole|Dimezol http://purl.obolibrary.org/obo/CHEBI_15890 3_STAR
CHEBI:15891 biolink:ChemicalSubstance taurine An amino sulfonic acid that is the 2-amino derivative of ethanesulfonic acid. It is a naturally occurring amino acid derived from methionine and cysteine metabolism. An abundant component of fish- and meat-based foods, it has been used as an oral supplement in the treatment of disorders such as cystic fibrosis and hypertension. CAS:107-35-7|DrugBank:DB01956|Drug_Central:4486|Gmelin:82121|HMDB:HMDB0000251|KEGG:C00245|KEGG:D00047|KNApSAcK:C00048188|MetaCyc:TAURINE|PDBeChem:TAU|PMID:10098958|PMID:10325611|PMID:10349454|PMID:10827156|PMID:11162030|PMID:11842876|PMID:11918831|PMID:11931837|PMID:12297216|PMID:12499349|PMID:12834252|PMID:14992292|PMID:15503229|PMID:15780050|PMID:15911239|PMID:16169526|PMID:16444816|PMID:16923232|PMID:17053427|PMID:17081118|PMID:17875433|PMID:17997039|PMID:18060526|PMID:18171928|PMID:19074966|PMID:19212411|PMID:19309105|PMID:19940987|PMID:2122710|PMID:21761941|PMID:22770225|PMID:2370482|PMID:24027187|PMID:2494044|PMID:27291853|PMID:27334436|PMID:27345710|PMID:27380030|PMID:27412799|PMID:27471162|PMID:27535560|PMID:3106924|PMID:3393260|PMID:6198473|PMID:7588651|PMID:8692051|PMID:8818047|PMID:9635063|Reaxys:1751215|Wikipedia:Taurine phenio.json 2-Aminoethanesulfonic acid|2-aminoethanesulfonic acid|2-aminoethyl sulfonate|Aminoethylsulfonic acid|Taurine|beta-aminoethylsulfonic acid http://purl.obolibrary.org/obo/CHEBI_15891 3_STAR
CHEBI:15892 biolink:ChemicalSubstance S-succinylglutathione The S-succinoyl derivative of glutathione. Beilstein:2189884|KEGG:C03174 phenio.json L-gamma-glutamyl-S-(3-carboxypropanoyl)-L-cysteinylglycine|S-Succinylglutathione http://purl.obolibrary.org/obo/CHEBI_15892 3_STAR
CHEBI:15893 biolink:ChemicalSubstance 1-pyrroline-5-carboxylate A 1-pyrrolinecarboxylate resulting from the removal of the proton from the carboxy group of 1-pyrroline-5-carboxylic acid. KEGG:C04322 phenio.json 1-pyrroline-5-carboxylate|3,4-dihydro-2H-pyrrole-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_15893 3_STAR
CHEBI:15894 biolink:ChemicalSubstance (2-trans,6-trans)-farnesal Beilstein:1723428|CAS:502-67-0|KEGG:C03461 phenio.json (2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trienal|(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienal|(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienal|(2E,6E)-farnesal|(E,E)-3,7,11-trimethyl-2,6,10-dodecatrienal|2-trans,6-trans-Farnesal|E,E-farnesal|Farnesal|trans,trans-2,6-farnesal|trans,trans-Farnesal|trans-farnesal http://purl.obolibrary.org/obo/CHEBI_15894 3_STAR
CHEBI:15895 biolink:ChemicalSubstance D-galactono-1,4-lactone A galactonolactone derived from D-galactonic acid. CAS:2782-07-2|ECMDB:ECMDB21440|HMDB:HMDB0002541|KEGG:C03383|PMID:1797843|PMID:20094898|Reaxys:83008 phenio.json 1,4-D-Galactonolactone|D-Galactonic acid, gamma-lactone|D-Galactono-1,4-lactone|D-galactonic acid gamma-lactone|D-galactonic acid, gamma-lactone|D-galactono-1,4-lactone|gamma-D-Galactonolactone http://purl.obolibrary.org/obo/CHEBI_15895 3_STAR
CHEBI:15896 biolink:ChemicalSubstance 3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione A seco-androstane that is 9,10-secoandrostane which is substituted by oxo groups at positions 9 and 17 and in which the A-ring is aromatic and bears hydroxy groups at positions 3 and 4. KEGG:C04793|LIPID_MAPS_instance:LMST02020062|PDBeChem:SDT|PMID:20448045|Reaxys:21218726 phenio.json 3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione|3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione http://purl.obolibrary.org/obo/CHEBI_15896 3_STAR
CHEBI:158966 biolink:ChemicalSubstance Arg-Gly-Asp CAS:99896-85-2|Chemspider:94603 phenio.json (2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid http://purl.obolibrary.org/obo/CHEBI_158966 2_STAR
CHEBI:15897 biolink:ChemicalSubstance N-(long-chain-acyl)ethanolamine Any N-acylethanolamine in which the acyl group has a chain length of C12 or greater. phenio.json an N-(long-chain fatty acyl)ethanolamine http://purl.obolibrary.org/obo/CHEBI_15897 3_STAR
CHEBI:15899 biolink:ChemicalSubstance (R)-5-diphosphomevalonic acid The 5-diphospho derivative of (R)-mevalonic acid. KEGG:C01143|KNApSAcK:C00007615|PDBeChem:DP6 phenio.json (3R)-3-hydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}-3-methylpentanoic acid|(R)-5-Diphosphomevalonate|(R)-5-diphosphomevalonate http://purl.obolibrary.org/obo/CHEBI_15899 3_STAR
CHEBI:15900 biolink:ChemicalSubstance trans-2,3-epoxysuccinic acid The trans-2,3-epoxy derivative of succinic acid. KEGG:C03548 phenio.json rel-(2R,3R)-oxirane-2,3-dicarboxylic acid|trans-2,3-Epoxysuccinate|trans-2,3-epoxysuccinate http://purl.obolibrary.org/obo/CHEBI_15900 3_STAR
CHEBI:15901 biolink:ChemicalSubstance 5,6-dihydrouracil A pyrimidine obtained by formal addition of hydrogen across the 5,6-position of uracil. Beilstein:1851498|CAS:504-07-4|HMDB:HMDB0000076|KEGG:C00429|MetaCyc:DI-H-URACIL|PDBeChem:DUC|PMID:15724255|PMID:18619742|PMID:20926004|PMID:22770225|Reaxys:112496|Wikipedia:Dihydrouracil phenio.json 2,4(1H,3H)-Pyrimidinedione, dihydro-|2,4-Dioxotetrahydropyrimidine|5,6-Dihydro-2,4-dihydroxypyrimidine|5,6-Dihydrouracil|5,6-dihydrouracil|DIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE|Dihydro-2,4(1H,3H)-pyrimidinedione|Dihydrouracil|Dihydrouracile|Hydrouracil|dihydropyrimidine-2,4(1H,3H)-dione http://purl.obolibrary.org/obo/CHEBI_15901 3_STAR
CHEBI:15902 biolink:ChemicalSubstance alpha-D-xylose 1-phosphate A xylose phosphate that is alpha-D-xylose carrying a phosphate group at position 1. KEGG:C03737|MetaCyc:CPD-490|PDBeChem:X1P|PMID:14499574|PMID:15535798|PMID:17803683|Reaxys:85827 phenio.json 1-O-phosphono-alpha-D-xylopyranose|alpha-D-Xylose 1-phosphate|alpha-D-xylopyranose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_15902 3_STAR
CHEBI:15903 biolink:ChemicalSubstance beta-D-glucose D-Glucopyranose with beta configuration at the anomeric centre. CAS:492-61-5|DrugBank:DB02379|Drug_Central:845|GlyGen:G71142DF|GlyTouCan:G71142DF|Gmelin:648637|KEGG:C00221|PDBeChem:BGC|PMID:19443021|PMID:25568069|PMID:31537530|PMID:32568414|Reaxys:1281607 phenio.json BETA-D-GLUCOSE|D-gluco-Hexose|WURCS=2.0/1,1,0/[a2122h-1b_1-5]/1/|beta-D-Glucose|beta-D-glucopyranose|beta-D-glucose http://purl.obolibrary.org/obo/CHEBI_15903 3_STAR
CHEBI:15904 biolink:ChemicalSubstance long-chain fatty acid A fatty acid with a chain length ranging from C13 to C22. KEGG:C00638 phenio.json Higher fatty acid|LCFA|LCFAs|Long-chain fatty acid|long-chain fatty acids http://purl.obolibrary.org/obo/CHEBI_15904 3_STAR
CHEBI:15905 biolink:ChemicalSubstance (R)-4'-phosphopantothenic acid An amidoalkyl phosphate that is the 4-phosphate derivative of (R)-pantothenic acid. Beilstein:4754999|CAS:5875-50-3|KEGG:C03492|KNApSAcK:C00019685|PDBeChem:PAZ|PMID:19666462 phenio.json (R)-4'-Phosphopantothenate|(R)-N-(2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl)-beta-alanine|3-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanamido]propanoic acid|D-4'-Phosphopantothenate|N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine|phosphopantothenic acid http://purl.obolibrary.org/obo/CHEBI_15905 3_STAR
CHEBI:15906 biolink:ChemicalSubstance demethylmacrocin A macrolide antibiotic that is tylonolide having mono- and diglycosyl moieties attached to two of its hydroxy groups.. KEGG:C02400|KNApSAcK:C00018437|MetaCyc:DEMETHYLMACROCIN phenio.json 2'''-O-Demethyllactenocin|Demethylmacrocin|[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-beta-D-allopyranoside http://purl.obolibrary.org/obo/CHEBI_15906 3_STAR
CHEBI:15907 biolink:ChemicalSubstance phosphoramidic acid CAS:2817-45-0|KEGG:C02306 phenio.json Amidophosphoric acid|H2NH2PO3|Phosphoramide|Phosphoramidic acid|[P(NH2)O(OH)2]|amidodihydroxidooxidophosphorus|phosphoramidic acid http://purl.obolibrary.org/obo/CHEBI_15907 3_STAR
CHEBI:15908 biolink:ChemicalSubstance L-threonic acid The L-enantiomer of threonic acid. CAS:7306-96-9|KEGG:C01620|KNApSAcK:C00034314|PMID:12961869|PMID:16662405|PMID:17098753|PMID:22770225|Reaxys:1722841|Wikipedia:Threonic_acid phenio.json (2R,3S)-2,3,4-trihydroxybutanoic acid|L-threonic acid http://purl.obolibrary.org/obo/CHEBI_15908 3_STAR
CHEBI:15911 biolink:ChemicalSubstance desulfoglucotropeolin A desulfoglucosinolic acid resulting from the formal condensation of the thiol group of N-hydroxy(phenyl)ethanethioamide with beta-D-glucopyranose. KEGG:C01069|Reaxys:39056 phenio.json 1-S-(N-hydroxy-2-phenylethanimidoyl)-1-thio-beta-D-glucopyranose|Desulfoglucotropeolin|desulfoglucotropeolin http://purl.obolibrary.org/obo/CHEBI_15911 3_STAR
CHEBI:15913 biolink:ChemicalSubstance (R)-2-hydroxyoctadecanoic acid The (R)-enantiomer of 2-hydroxyoctadecanoic acid. CAS:629-22-1|KEGG:C03042 phenio.json (2R)-2-hydroxyoctadecanoic acid|(R)-2-hydroxystearic acid http://purl.obolibrary.org/obo/CHEBI_15913 3_STAR
CHEBI:15915 biolink:ChemicalSubstance ADP-L-glycero-D-manno-heptose An ADP-glycero-D-manno-heptose having L-glycero-configuration at the 6-position of the heptose portion. KEGG:C06398 phenio.json ADP-L-glycero-D-manno-heptose|adenine 5'-[3-(L-glycero-D-manno-heptopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_15915 3_STAR
CHEBI:15916 biolink:ChemicalSubstance serine phosphoethanolamine The O-phosphoethanolamine derivative of serine. PMID:5636380|PMID:5705212|PMID:6244784 phenio.json O-[(2-aminoethoxy)(hydroxy)phosphoryl]serine|O-[(2-aminoethoxy)hydroxyphosphinyl]serine|serine ethanolamine phosphate|serine phosphoethanolamine http://purl.obolibrary.org/obo/CHEBI_15916 3_STAR
CHEBI:15917 biolink:ChemicalSubstance N-(D-glucopyranosyl)nicotinate Beilstein:4157144 phenio.json 1-D-glucopyranosylpyridinium-3-carboxylate|N-glucosylnicotinate http://purl.obolibrary.org/obo/CHEBI_15917 3_STAR
CHEBI:15918 biolink:ChemicalSubstance 2'-deoxycytosine 5'-monophosphate A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having cytosine as the nucleobase. CAS:1032-65-1|DrugBank:DB03798|KEGG:C00239|PDBeChem:DCM phenio.json 2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE|2'-Deoxycytidine 5'-monophosphate|2'-deoxy-5'-cytidylic acid|2'-deoxycytosine 5'-monophosphate|Deoxycytidine monophosphate|Deoxycytidylate|Deoxycytidylic acid|dCMP http://purl.obolibrary.org/obo/CHEBI_15918 3_STAR
CHEBI:15919 biolink:ChemicalSubstance N(6)-(1,2-dicarboxyethyl)-AMP The N(6)-(1,2-dicarboxyethyl) derivative of adenosine 5'-monophosphate. CAS:19046-78-7|DrugBank:DB04418|ECMDB:ECMDB01332|HMDB:HMDB0059653|KEGG:C03794|KNApSAcK:C00007229|PDBeChem:2SA|PMID:23404497|PMID:25036129|Reaxys:71618|YMDB:YMDB00871 phenio.json Adenylosuccinate|Adenylosuccinic acid|N-[9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl]aspartic acid|N6-(1,2-Dicarboxyethyl)-AMP|N6-(1,2-dicarboxyethyl)-AMP|aspartyl adenylate http://purl.obolibrary.org/obo/CHEBI_15919 3_STAR
CHEBI:15920 biolink:ChemicalSubstance columbamine CAS:3621-36-1|KEGG:C01795|KNApSAcK:C00024667 phenio.json 2-hydroxy-3,9,10-trimethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium|5,6-dihydro-2-hydroxy-3,9,10-trimethoxydibenzo[a,g]quinolizinium|Columbamine|columbamine http://purl.obolibrary.org/obo/CHEBI_15920 3_STAR
CHEBI:15925 biolink:ChemicalSubstance 2-dehydro-3-deoxy-6-phospho-D-gluconic acid The 5-phospho derivative of 2-dehydro-D-gluconic acid. CAS:27244-54-8|KEGG:C04442|KNApSAcK:C00019434 phenio.json 2-Dehydro-3-deoxy-6-phospho-D-gluconate|2-Dehydro-3-deoxy-D-gluconate 6-phosphate|2-Keto-3-deoxy-6-phosphogluconate|2-dehydro-3-deoxy-6-phospho-D-gluconate|2-dehydro-3-deoxy-D-gluconate 6-phosphate|2-keto-3-deoxy-6-phosphogluconate|3-Deoxy-D-erythro-hex-2-ulosonic acid 6-phosphate|3-deoxy-6-O-phosphono-D-erythro-hex-2-ulosonic acid|6-Phospho-2-dehydro-3-deoxy-D-gluconate|6-phospho-2-dehydro-3-deoxy-D-gluconate|Kdpg intermediate http://purl.obolibrary.org/obo/CHEBI_15925 3_STAR
CHEBI:15926 biolink:ChemicalSubstance dolichyl diphosphooligosaccharide KEGG:C04213 phenio.json Dolichyl diphosphooligosaccharide|Oligosaccharide-PP-Dol|Oligosaccharide-diphosphodolichol|dolichyl diphosphooligosaccharides http://purl.obolibrary.org/obo/CHEBI_15926 3_STAR
CHEBI:15927 biolink:ChemicalSubstance N-ribosylnicotinamide A pyridine nucleoside consisting of nicotinamide with a beta-D-ribofuranosyl moiety at the 1-position. Beilstein:3912857|CAS:1341-23-7|KEGG:C03150|PDBeChem:NNR|PMID:15137942|PMID:17482543|PMID:18429699|PMID:22682224 phenio.json 1-(beta-D-Ribofuranosyl)nicotinamide|3-carbamoyl-1-beta-D-ribofuranosylpyridinium|N-Ribosylnicotinamide|Nicotinamide riboside|beta-nicotinamide D-riboside|nicotinamide ribonucleoside|nicotinamide ribose|nicotinamide-beta-riboside http://purl.obolibrary.org/obo/CHEBI_15927 3_STAR
CHEBI:15929 biolink:ChemicalSubstance (-)-methyl jasmonate A jasmonate ester that is the methyl ester of jasmonic acid. CAS:1211-29-6|HMDB:HMDB0036583|KEGG:C11512|KNApSAcK:C00000219|LIPID_MAPS_instance:LMFA02020010|MetaCyc:CPD1F-2|PMID:17043086|PMID:18038760|PMID:24497113|Reaxys:4232548|Wikipedia:Methyl_jasmonate phenio.json (-)-Methyl jasmonate|3-oxo-2-(2-pentenyl)cyclopentaneacetic acid methyl ester|Methyl jasmonate|methyl (-)-jasmonate|methyl {(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate http://purl.obolibrary.org/obo/CHEBI_15929 3_STAR
CHEBI:15930 biolink:ChemicalSubstance atrazine A diamino-1,3,5-triazine that is 1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6 while one of hydrogens of each amino group is replaced respectively by an ethyl and a propan-2-yl group. CAS:1912-24-9|DrugBank:DB07392|HMDB:HMDB0041830|KEGG:C06551|LINCS:LSM-18990|MetaCyc:ATRAZINE|PDBeChem:ATZ|PMID:24211529|PMID:24239819|PMID:24246238|PPDB:43|Reaxys:612020|UM-BBD_compID:c0002|Wikipedia:Atrazine phenio.json 2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE|2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine|2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine|2-chloro-4-ethylamino-6-isopropylamino-s-triazine|2-ethylamino-4-isopropylamino-6-chloro-s-triazine|6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine|6-chloro-N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine|6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine|Atrazine|atrazine http://purl.obolibrary.org/obo/CHEBI_15930 3_STAR
CHEBI:15931 biolink:ChemicalSubstance 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose A (4-deoxygluc-4-enosyluronic acid)-(1->3)-N-acetyl-D-galactosamine sulfate in which the 4-deoxygluc-4-enosyluronic acid component has beta-D configuration. KEGG:C04864 phenio.json 2-acetamido-2-deoxy-4-O-sulfo-D-galactopyranos-3-O-yl 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid|4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 4-sulfate http://purl.obolibrary.org/obo/CHEBI_15931 3_STAR
CHEBI:15932 biolink:ChemicalSubstance apiin A beta-D-glucoside having a beta-D-apiosyl residue at the 2-position and a 5,4'-dihydroxyflavon-7-yl moiety at the anomeric position. CAS:26544-34-3|HMDB:HMDB0030843|KEGG:C04858|KNApSAcK:C00001019|LINCS:LSM-18987|LIPID_MAPS_instance:LMPK12110337|MetaCyc:7-O-BETA-D-APIOFURANOSYL-12-BETA-D-GLU|PMID:10722209|PMID:15813363|PMID:17637182|PMID:18553272|PMID:21834233|Patent:CN1284492|Patent:CN1413643|Reaxys:72966|Wikipedia:Apiin phenio.json 5,7,4'-trihydroxyflavone 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside]|5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-beta-D-glucopyranoside|5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 3-C-(hydroxymethyl)-beta-D-glycero-tetrofuranosyl-(1->2)-beta-D-glucopyranoside|7-((2-O-beta-D-Apiofuranosyl-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyranone|7-O-(beta-D-Apiofuranosyl-1,2-beta-D-glucosyl)-5,7,4'-trihydroxyflavone|7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxy-phenyl)-4H-1-benzopyran-4-one|Apiin|Apioside|apigenin 7-O-[beta-D-apiosyl-(1->2)-beta-D-glucoside] http://purl.obolibrary.org/obo/CHEBI_15932 3_STAR
CHEBI:15933 biolink:ChemicalSubstance UDP-D-apiose A UDP-sugar having D-apiose as the sugar portion. phenio.json uridine 5'-{3-[3-C-(hydroxymethyl)-D-erythrofuranosyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_15933 3_STAR
CHEBI:15934 biolink:ChemicalSubstance 5-amino-6-(D-ribitylamino)uracil An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 5,6-diaminouracil. Early intermediate in bacterial riboflavin synthesis. CAS:17014-74-3|KEGG:C04732|MetaCyc:AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE|PMID:11237620|PMID:15723519|PMID:23072415|PMID:24695216|PMID:9211334|Reaxys:33063 phenio.json 1-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-1-deoxy-D-ribitol|4-(1-D-Ribitylamino)-5-amino-2,6-dihydroxypyrimidine|5-A-RU|5-Amino-6-(1-D-ribitylamino)uracil|5-Amino-6-ribitylaminouracil|5-amino-2,6-dioxo-4-ribitylaminopyrimidine|5-amino-6-(D-ribitylamino)uracil|5-amino-6-ribitylamino-2,4-(1H,3H)pyrimidinedione|5-arpd|6-(1-D-Ribitylamino)-5-amino-2,4-dihydroxypyrimidine|6-(1-D-Ribitylamino)-5-aminouracil http://purl.obolibrary.org/obo/CHEBI_15934 3_STAR
CHEBI:15935 biolink:ChemicalSubstance N-acetyl-D-glucosaminylphosphatidylinositol KEGG:C01288 phenio.json 6-(N-Acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol|N-Acetyl-D-glucosaminylphosphatidylinositol|N-acetyl-D-glucosaminylphosphatidylinositols http://purl.obolibrary.org/obo/CHEBI_15935 3_STAR
CHEBI:15936 biolink:ChemicalSubstance aldehydo-D-xylose Beilstein:1562108|CAS:58-86-6|GlyTouCan:G01550VL|Gmelin:486611|KEGG:C00181 phenio.json (+)-Xylose|(D)-Xylose|D-Xyl|D-Xylose|D-xylo-pentose|D-xylose|WURCS=2.0/1,1,0/[o212h]/1/|Wood sugar|aldehydo-D-xylose http://purl.obolibrary.org/obo/CHEBI_15936 3_STAR
CHEBI:15937 biolink:ChemicalSubstance trans-5-O-(4-coumaroyl)-D-quinic acid The 5-O-(4-coumaroyl) derivative of (-)-quinic acid. KEGG:C12208 phenio.json (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexanecarboxylic acid|p-Coumaroyl quinic acid|trans-5-O-(4-Coumaroyl)-D-quinate|trans-5-O-(4-coumaroyl)-D-quinate http://purl.obolibrary.org/obo/CHEBI_15937 3_STAR
CHEBI:15938 biolink:ChemicalSubstance pregnan-21-ol KEGG:C00892 phenio.json 5-beta-Pregnan-21-ol|Pregnan-21-ol|pregnan-21-ol http://purl.obolibrary.org/obo/CHEBI_15938 3_STAR
CHEBI:15939 biolink:ChemicalSubstance glycyrrhizinic acid A triterpenoid saponin that is the glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid. CAS:1405-86-3|Drug_Central:1325|HMDB:HMDB0029843|KEGG:C02284|LIPID_MAPS_instance:LMPR0106150013|MetaCyc:GLYCYRRHIZINATE|PMID:11282481|PMID:15013279|PMID:24497916|Reaxys:77922|Wikipedia:Glycyrrhizin phenio.json (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronic acid|30-hydroxy-11,30-dioxoolean-12-en-3beta-yl (2-O-beta-D-glucopyranosyluronic acid)-alpha-D-glucopyranosiduronic acid|Glycyrrhizic acid|Glycyrrhizin http://purl.obolibrary.org/obo/CHEBI_15939 3_STAR
CHEBI:15940 biolink:ChemicalSubstance nicotinic acid A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. AGR:IND607088605|CAS:59-67-6|Chemspider:913|DrugBank:DB00627|Drug_Central:2835|FooDB:FDB001014|Gmelin:3340|HMDB:HMDB0001488|KEGG:C00253|KEGG:D00049|KNApSAcK:C00000208|LINCS:LSM-4676|MetaCyc:NIACINE|PDBeChem:NIO|PMID:10540864|PMID:113218|PMID:12563315|PMID:12789870|PMID:135660|PMID:14550884|PMID:15037193|PMID:15183629|PMID:15205990|PMID:15311728|PMID:15627518|PMID:15651982|PMID:16018787|PMID:16172771|PMID:16322787|PMID:16400392|PMID:16449845|PMID:16767301|PMID:16877271|PMID:16945375|PMID:18037924|PMID:182198|PMID:186078|PMID:18993152|PMID:18996527|PMID:19369827|PMID:19592242|PMID:19678716|PMID:19779335|PMID:20979384|PMID:21632263|PMID:22116693|PMID:22155410|PMID:22229411|PMID:22366213|PMID:22458880|PMID:22770225|PMID:24029555|PMID:24568240|PMID:24675661|PMID:24848081|PMID:24975217|PMID:25040591|PMID:25241762|PMID:25429652|PMID:32954525|PMID:33273654|PMID:33932650|PMID:34066686|PMID:34085526|PMID:34117670|PMID:4033386|PMID:4259917|PMID:582105|PMID:699281|PMID:7217784|PMID:7581845|PMID:8306147|PMID:8423912|PMID:8679452|PMID:9107536|Reaxys:109591|Wikipedia:Niacin phenio.json 3-Pyridylcarboxylic acid|3-carboxylpyridine|3-carboxypyridine|3-pyridinecarboxylic acid|NICOTINIC ACID|Niacin|Niacor|Niaspan|Nicotinic acid|Nicotinsaure|Nikotinsaeure|P.P. factor|PP factor|acide nicotinique|acido nicotinico|acidum nicotinicum|anti-pellagra vitamin|beta-pyridinecarboxylic acid|m-pyridinecarboxylic acid|nicotinic acid|pellagra preventive factor|pyridine-3-carboxylic acid|pyridine-beta-carboxylic acid|pyridine-carboxylique-3|vitamin B3 http://purl.obolibrary.org/obo/CHEBI_15940 3_STAR
CHEBI:15941 biolink:ChemicalSubstance 2,3-dihydroxy-2,3-dihydrobenzoic acid A cyclohexadienecarboxylic acid having the C=C bonds at the 1- and 3-positions, the carboxylic acid at the 1-position and two hydroxy substituents at the 5- and 6-positions. phenio.json 5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_15941 3_STAR
CHEBI:15942 biolink:ChemicalSubstance 2-aminobenzenesulfonate An aminobenzenesulfonate that is the conjugate base of 2-aminobenzenesulfonic acid. Gmelin:329530|KEGG:C06333|MetaCyc:2-AMINOBENZENESULFONATE|Reaxys:3906548|UM-BBD_compID:c0245 phenio.json 2-aminobenzenesulfonate http://purl.obolibrary.org/obo/CHEBI_15942 3_STAR
CHEBI:15943 biolink:ChemicalSubstance poly(glycerol phosphate) macromolecule A homopolymer macromolecule consisting of repeating glycerol-1-phosphate units. CAS:52007-79-1|KEGG:C02768|PMID:21388439|PMID:24533796 phenio.json (Glycerophosphate)n|(Glycerophosphate)n+1|Poly(glycerol phosphate)|Poly(grop)|Polyglycerolphosphate|alpha-[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]-omega-hydroxypoly[oxy(2-hydroxypropane-1,3-diyl)oxy(hydroxyphosphoryl)]|poly(glycerol phosphate)|poly(glycerol phosphate)s http://purl.obolibrary.org/obo/CHEBI_15943 3_STAR
CHEBI:15944 biolink:ChemicalSubstance 6-O-methylnorlaudanosoline The 6-O-methyl derivative of norlaudanosoline. Beilstein:3625035|CAS:64710-33-4|KEGG:C05203 phenio.json 4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]benzene-1,2-diol|6-O-Methylnorlaudanosoline http://purl.obolibrary.org/obo/CHEBI_15944 3_STAR
CHEBI:15945 biolink:ChemicalSubstance D-galactono-1,5-lactone A galactonolactone that is the D-enantiomer of galactono-1,5-lactone. CAS:15892-28-1|DrugBank:DB01885|KEGG:C02669|KEGG:C15483|PDBeChem:149|PMID:5152120 phenio.json D-Galactono-1,5-lactone|D-Galactono-8-lactone|D-Galactonolactone|D-galactonic acid delta-lactone|D-galactono-1,5-lactone http://purl.obolibrary.org/obo/CHEBI_15945 3_STAR
CHEBI:15946 biolink:ChemicalSubstance keto-D-fructose 6-phosphate The open chain form of D-fructose 6-phosphate. CAS:643-13-0|DrugBank:DB04493|HMDB:HMDB0000124|KEGG:C00085|MetaCyc:CPD-15709|PDBeChem:F6R|PMID:22833313|PMID:24380627|Reaxys:1728993 phenio.json D-Fructose 6-phosphate|D-Fructose 6-phosphoric acid|D-fructose 6-(dihydrogen phosphate)|Fructose-6-phosphate|Neuberg ester http://purl.obolibrary.org/obo/CHEBI_15946 3_STAR
CHEBI:15947 biolink:ChemicalSubstance N-acetyl-beta-D-glucosaminylamine KEGG:C01239 phenio.json 2-acetamido-2-deoxy-beta-D-glucopyranosylamine|N-Acetyl-beta-D-glucosaminylamine|N-acetyl-beta-D-glucosaminylamine http://purl.obolibrary.org/obo/CHEBI_15947 3_STAR
CHEBI:15948 biolink:ChemicalSubstance lycopene An acyclic carotene commonly obtained from tomatoes and other red fruits. CAS:502-65-8|COMe:MOL000048|Drug_Central:4617|HMDB:HMDB0003000|KEGG:C05432|KNApSAcK:C00000911|LIPID_MAPS_instance:LMPR01070257|MetaCyc:CPD1F-114|PDBeChem:LYC|PMID:10443333|PMID:10493308|PMID:10620348|PMID:10720168|PMID:10837319|PMID:11117277|PMID:11137891|PMID:12239422|PMID:12726756|PMID:12792623|PMID:12910307|PMID:13129444|PMID:15054415|PMID:15065899|PMID:15341191|PMID:1550343|PMID:15830922|PMID:16194683|PMID:16549453|PMID:24397737|PMID:7616301|PMID:9100211|Reaxys:1730097|Wikipedia:Lycopene phenio.json (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene|LYCOPENE|Lycopene|all-trans-lycopene|psi,psi-carotene http://purl.obolibrary.org/obo/CHEBI_15948 3_STAR
CHEBI:15949 biolink:ChemicalSubstance diphthamide A quaternary ammonium ion that is the derivative of L-histidine having a 4-amino-4-oxo-3-(trimethylammonio)butyl group at the 2-position of the imidazole ring. CAS:75645-22-6|DrugBank:DB03223|Wikipedia:Diphthamide phenio.json (2S)-1-amino-4-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-N,N,N-trimethyl-1-oxobutan-2-aminium|2-(3-Carboxyamido-3-(trimethylammonio)propyl)histidine|2-[(3R)-3-carbamoyl-3-(trimethylammonio)propyl]-L-histidine|Diphthamide http://purl.obolibrary.org/obo/CHEBI_15949 3_STAR
CHEBI:15950 biolink:ChemicalSubstance (S)-coclaurine The (S)-enantiomer of coclaurine. Beilstein:4298111|CAS:486-39-5|KEGG:C06161|KNApSAcK:C00025812 phenio.json (1S)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol|(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol|(S)-Coclaurine|1-(p-Hydroxybenzyl)-6-methoxy-7-hydroxy-1,2,3,4-tetrahydroisoquinoline|Coclaurine http://purl.obolibrary.org/obo/CHEBI_15950 3_STAR
CHEBI:15951 biolink:ChemicalSubstance 3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one KEGG:C07350 phenio.json 3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one|3-methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one|phlorisovalerophenone http://purl.obolibrary.org/obo/CHEBI_15951 3_STAR
CHEBI:15952 biolink:ChemicalSubstance dTDP-4-amino-4,6-dideoxy-D-glucose The 4-amino-4,6-dideoxy analogue of dTDP-D-glucose. KEGG:C04268 phenio.json dTDP-4-amino-4,6-dideoxy-D-glucose|thymidine 5'-[3-(4-amino-4,6-dideoxy-D-glucopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_15952 3_STAR
CHEBI:15953 biolink:ChemicalSubstance 6-imino-5-oxocyclohexa-1,3-dienecarboxylic acid A cyclohexadienecarboxylic acid having the C=C double bonds at the 1- and 3-positions, the carboxy group at the 1-position, an oxo group at the 5-position and an imino group at the 6-position. Beilstein:4740780|KEGG:C04584 phenio.json 6-Imino-5-oxocyclohexa-1,3-dienecarboxylate|6-imino-5-oxocyclohexa-1,3-diene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_15953 3_STAR
CHEBI:15954 biolink:ChemicalSubstance aldehydo-D-glucose 6-phosphate The open-chain form of D-glucose 6-phosphate. Beilstein:1728867|DrugBank:DB03581|KEGG:C03251|PDBeChem:G6Q|Reaxys:1728867 phenio.json (2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl dihydrogen phosphate|aldehydo-D-glucose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_15954 3_STAR
CHEBI:15955 biolink:ChemicalSubstance discadenine A 6-isopentenylaminopurine having a 3-amino-3-carboxypropyl group attached at the 3-position. AGR:IND81078502|CAS:69832-12-8|KEGG:C01804|PMID:566219|PMID:6259120|PMID:7363945 phenio.json (2S)-2-amino-4-{6-[(3-methylbut-2-en-1-yl)amino]-3H-purin-3-yl}butanoic acid|3-(3-Amino-3-carboxypropyl)-N6-(delta2-isopentenyl)-adenine|3-(3-amino-3-carboxypropyl)-N6-(delta2)-isopentenyladenine|Discadenine|alpha-amino-6-((3-methyl-2-butenyl)amino)-3H-purine-3-butanoic acid http://purl.obolibrary.org/obo/CHEBI_15955 3_STAR
CHEBI:15956 biolink:ChemicalSubstance biotin An organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the class of biotins. CAS:58-85-5|COMe:MOL000144|Chemspider:149962|DrugBank:DB00121|Drug_Central:373|FooDB:FDB014510|Gmelin:1918703|HMDB:HMDB0000030|KEGG:C00120|KEGG:D00029|KNApSAcK:C00000756|LINCS:LSM-3994|MetaCyc:BIOTIN|PDBeChem:BTN|PMCID:PMC8089577|PMID:10064317|PMID:10215065|PMID:10577274|PMID:11435506|PMID:11481419|PMID:11800048|PMID:12055344|PMID:12070309|PMID:12603856|PMID:12803839|PMID:15012185|PMID:15202718|PMID:15272000|PMID:15690449|PMID:15863846|PMID:15899401|PMID:15992684|PMID:16011464|PMID:16195795|PMID:16419467|PMID:16676358|PMID:16677798|PMID:16704206|PMID:16769720|PMID:17297119|PMID:1814646|PMID:18202531|PMID:18452485|PMID:18509457|PMID:19212411|PMID:19319844|PMID:19727438|PMID:19928962|PMID:20967359|PMID:20974274|PMID:2100006|PMID:21248194|PMID:21356565|PMID:21373679|PMID:21596550|PMID:21871906|PMID:25515858|PMID:33346513|PMID:33461365|PMID:34077272|PMID:8333586|PMID:8750932|PMID:9022537|PMID:9038855|PMID:9094878|PMID:9164991|PMID:9176832|PMID:9371938|PMID:9416479|Reaxys:86838|Wikipedia:Biotin phenio.json (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid|(3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid|5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid|BIOTIN|Coenzyme R|D-(+)-biotin|D-Biotin|Vitamin H|biotin|biotina|biotine|biotinum|cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid|cis-Hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid|cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid|vitamin B7 http://purl.obolibrary.org/obo/CHEBI_15956 3_STAR
CHEBI:15957 biolink:ChemicalSubstance stipitatic acid A derivative of cyclohepta-1,3,5-triene having a carboxy group at position 1, an oxo group at position 5 and hydroxy groups at positions 3 and 6. Beilstein:2723909|CAS:4440-39-5|KEGG:C01853 phenio.json 3,6-dihydroxy-5-oxocyclohepta-1,3,6-triene-1-carboxylic acid|Stipitatate|Stipitatic acid http://purl.obolibrary.org/obo/CHEBI_15957 3_STAR
CHEBI:15958 biolink:ChemicalSubstance phosphatidyl-N-methylethanolamine A phosphatidylethanolamine in which the amino group is methylated. KEGG:C01241|PMID:7106822 phenio.json Phosphatidyl-N-methylethanolamine|phosphatidyl-N-methylethanolamines http://purl.obolibrary.org/obo/CHEBI_15958 3_STAR
CHEBI:15960 biolink:ChemicalSubstance O-acetylcarnitinium KEGG:C02571 phenio.json (2R)-2-(acetyloxy)-3-carboxy-N,N,N-trimethylpropan-1-aminium|O-Acetyl-L-carnitine|O-Acetylcarnitine http://purl.obolibrary.org/obo/CHEBI_15960 3_STAR
CHEBI:15961 biolink:ChemicalSubstance O-phospho-L-homoserine The L-enantiomer of O-phosphohomoserine. CAS:4210-66-6|KEGG:C01102|KNApSAcK:C00007385 phenio.json (2S)-2-amino-4-(phosphonooxy)butanoic acid|Homoserine phosphate|L-Homoserine, dihydrogen phosphate (ester)|O-Phospho-L-homoserine|O-Phosphohomoserine|O-phospho-L-homoserine http://purl.obolibrary.org/obo/CHEBI_15961 3_STAR
CHEBI:15963 biolink:ChemicalSubstance ribitol A pentitol (five-carbon sugar alcohol) having meso-configuration, being derived from ribose by reduction of the carbonyl group. It occurs naturally in the plant Adonis vernalis. CAS:488-81-3|Gmelin:82894|HMDB:HMDB0000508|KEGG:C00474|KNApSAcK:C00001171|MetaCyc:RIBITOL|PMID:15234337|PMID:16664320|PMID:16901854|PMID:17336832|PMID:17979222|PMID:23564164|PMID:24643482|PMID:25108762|Reaxys:1720524|Wikipedia:Ribitol phenio.json (2R,3s,4S)-pentane-1,2,3,4,5-pentol|Adonitol|D-Adonitol|D-Ribitol|L-ribitol|Ribitol|meso-ribitol|ribitol http://purl.obolibrary.org/obo/CHEBI_15963 3_STAR
CHEBI:15964 biolink:ChemicalSubstance cyclohexylsulfamic acid A member of the class of sulfamic acids that is sulfamic acid carrying an N-cyclohexyl substituent. CAS:100-88-9|HMDB:HMDB0031340|KEGG:C02824|KEGG:D02442|PMID:23559823|PMID:4199201|PMID:973466|Reaxys:2208885|UM-BBD_compID:c0689|Wikipedia:Cyclamic_acid phenio.json Cyclohexylamide sulfate|Cyclohexylsulfamate|Cyclohexylsulfamic acid|Cylamic acid|cyclohexylaminesulphonic acid|cyclohexylsulfamic acid http://purl.obolibrary.org/obo/CHEBI_15964 3_STAR
CHEBI:15965 biolink:ChemicalSubstance D-hexose phosphate Any mono-phosphorylated D-hexose having a chain of six carbon atoms in the molecule. KEGG:C02672 phenio.json D-Hexose phosphate http://purl.obolibrary.org/obo/CHEBI_15965 3_STAR
CHEBI:15966 biolink:ChemicalSubstance D-glutamic acid An optically active form of glutamic acid having D-configuration. CAS:6893-26-1|DrugBank:DB02517|Gmelin:201189|HMDB:HMDB0003339|KEGG:C00217|KNApSAcK:C00019577|MetaCyc:D-GLT|PDBeChem:DGL|Reaxys:1723800 phenio.json (2R)-2-aminopentanedioic acid|(R)-2-aminopentanedioic acid|D-2-Aminoglutaric acid|D-Glutamic acid|D-Glutaminic acid|D-Glutaminsaeure|D-glutamic acid|DGL|glutamic acid D-form http://purl.obolibrary.org/obo/CHEBI_15966 3_STAR
CHEBI:15967 biolink:ChemicalSubstance thioredoxin dithiol CAS:52500-60-4|KEGG:C00342 phenio.json Reduced thioredoxin|Thioredoxin http://purl.obolibrary.org/obo/CHEBI_15967 3_STAR
CHEBI:15968 biolink:ChemicalSubstance 3-guanidinopropanoic acid A guanidine compound bearing an N-(2-carboxyethyl) substituent. It is a creatine analogue that has been found to decreases plasma glucose levels CAS:353-09-3|HMDB:HMDB0013222|KEGG:C03065|PMID:19358571|PMID:23326362|PMID:7491263|PMID:7900770|Reaxys:1705262|Wikipedia:Guanidinopropionic_acid phenio.json 3-Guanidinopropanoate|3-carbamimidamidopropanoic acid|N-[amino(imino)methyl]-beta-alanine|beta-GPA|beta-guanidinopropionic acid http://purl.obolibrary.org/obo/CHEBI_15968 3_STAR
CHEBI:15970 biolink:ChemicalSubstance O-carbamoyl-L-serine A non-proteinogenic L-alpha-amino acid that is the O-carbamoyl derivative of L-serine. CAS:2105-23-9|KEGG:C03015 phenio.json (2S)-2-amino-3-(carbamoyloxy)propanoic acid|O-Carbamoyl-L-serine|O-carbamoyl-L-serine http://purl.obolibrary.org/obo/CHEBI_15970 3_STAR
CHEBI:15971 biolink:ChemicalSubstance L-histidine The L-enantiomer of the amino acid histidine. CAS:71-00-1|DrugBank:DB00117|ECMDB:ECMDB00177|Gmelin:83042|HMDB:HMDB0000177|KEGG:C00135|KEGG:D00032|KNApSAcK:C00001363|MetaCyc:HIS|PDBeChem:HIS|PMID:15206581|PMID:21608102|PMID:21719207|PMID:22324399|PMID:22415677|PMID:22517640|Reaxys:84088|Wikipedia:L-histidine|YMDB:YMDB00369 phenio.json (2S)-2-amino-3-(1H-imidazol-4-yl)propanoic acid|(S)-4-(2-Amino-2-carboxyethyl)imidazole|(S)-alpha-Amino-1H-imidazole-4-propionic acid|(S)-alpha-amino-1H-Imidazole-4-propanoic acid|H|HISTIDINE|His|L-(-)-histidine|L-Histidin|L-Histidine|L-histidine http://purl.obolibrary.org/obo/CHEBI_15971 3_STAR
CHEBI:15972 biolink:ChemicalSubstance dTDP-4-amino-4,6-dideoxy-D-galactose The 4-amino-4,6-dideoxy analogue of dTDP-D-galactose. phenio.json thymidine 5'-[3-(4-amino-4,6-dideoxy-D-galactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_15972 3_STAR
CHEBI:15975 biolink:ChemicalSubstance 1D-5-O-methyl-myo-inositol A member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1R,2S,3r,4R,5S,6r-stereoisomer). CAS:523-92-2|KEGG:C03365|KNApSAcK:C00001172|PMID:12880325|Reaxys:2043787 phenio.json (1R,2S,3r,4R,5S,6r)-6-methoxycyclohexane-1,2,3,4,5-pentol|1D-5-O-Methyl-myo-inositol|1D-5-O-methyl-myo-inositol|5-O-Methyl-myo-inositol|Sequoyitol http://purl.obolibrary.org/obo/CHEBI_15975 3_STAR
CHEBI:15976 biolink:ChemicalSubstance 3-indoleglycolaldehyde KEGG:C03230 phenio.json 3-Indoleglycolaldehyde|3-indoleglycolaldehyde|3-indolylglycolaldehyde|hydroxy(1H-indol-3-yl)acetaldehyde http://purl.obolibrary.org/obo/CHEBI_15976 3_STAR
CHEBI:15977 biolink:ChemicalSubstance cyclohex-2-enone A cyclohexenone having its C=C double bond at the 2-position. AGR:IND500890908|CAS:930-68-7|Gmelin:2792|KEGG:C02395|MetaCyc:CPD-282|PDBeChem:A2Q|PMID:10435317|PMID:11380545|PMID:11923299|PMID:12240358|PMID:15816743|PMID:17705547|PMID:18384020|PMID:24563324|PMID:24954722|PMID:27037735|PMID:28260378|PMID:28422498|PMID:29048164|PMID:29611891|PMID:30290292|PMID:31590101|PMID:32345013|PMID:33595902|PMID:8828923|Reaxys:1280477 phenio.json 1-cyclohexen-3-one|2-Cyclohexen-1-one|2-cyclohexen-1-one|2-cyclohexenone|3-oxocyclohexene|Cyclohex-2-enone|cyclohex-2-en-1-one|cyclohex-2-enone|cyclohexen-3-one http://purl.obolibrary.org/obo/CHEBI_15977 3_STAR
CHEBI:15978 biolink:ChemicalSubstance sn-glycerol 3-phosphate An sn-glycerol 3-phosphate having unsubstituted hydroxy groups. CAS:17989-41-2|KEGG:C00093|KNApSAcK:C00007288|MetaCyc:GLYCEROL-3P|PDBeChem:G3P|PDBeChem:GP9|PMID:16745347|PMID:1694860|PMID:19049970|Reaxys:1723975 phenio.json (2R)-2,3-dihydroxypropyl dihydrogen phosphate|(R)-glycerol 1-phosphate|D-(glycerol 1-phosphate)|D-Glycerol 1-phosphate|Glycerol-3-phosphate|Glycerophosphoric acid|L-(glycerol 3-phosphate)|Phosphorsaeure-mono-((R)-2,3-dihydroxy-propylester)|SN-GLYCEROL-3-PHOSPHATE|phosphoric acid mono-((R)-2,3-dihydroxy-propyl) ester|sn-Glycerol 3-phosphate|sn-Gro-1-P|sn-glycerol 3-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_15978 3_STAR
CHEBI:15979 biolink:ChemicalSubstance 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline A benzyltetrahydroisoquinoline having the benzyl group at the 1-position and an N-methyl substituent. Beilstein:178433|Beilstein:84966|KEGG:C05314 phenio.json 1-benzyl-2-methyl-1,2,3,4-tetrahydroisoquinoline|N-Methyl-(R,S)-tetrahydrobenzylisoquinoline|N-Methyl-(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline|N-methyl-1-benzyl-1,2,3,4-tetrahydroisoquinoline http://purl.obolibrary.org/obo/CHEBI_15979 3_STAR
CHEBI:15980 biolink:ChemicalSubstance (R)-pantoate DrugBank:DB01930|KEGG:C00522|PDBeChem:PAF phenio.json (2R)-2,4-dihydroxy-3,3-dimethylbutanoate|(R)-Pantoate|(R)-pantoate|PANTOATE http://purl.obolibrary.org/obo/CHEBI_15980 3_STAR
CHEBI:15981 biolink:ChemicalSubstance heparan sulfate alpha-D-glucosaminide 3-sulfate A heparan sulfate having an 3-O-sulfo-alpha-D-glucosaminyl residue at the non-reducing end. The heparan sulfate part consists of a variably sulfated repeating disaccharide unit. KEGG:C11553 phenio.json [Heparan sulfate]-glucosamine 3-sulfate http://purl.obolibrary.org/obo/CHEBI_15981 3_STAR
CHEBI:15982 biolink:ChemicalSubstance cob(I)alamin A cobalamin in which the central cobalt atom has an oxidation state of +1. CAS:18534-66-2|COMe:MOL000034|Gmelin:887721|KEGG:C00853 phenio.json Cob(I)alamin|Vitamin B12s|cob(I)alamin|vitamin B-12s http://purl.obolibrary.org/obo/CHEBI_15982 3_STAR
CHEBI:15983 biolink:ChemicalSubstance ferrocytochrome Any cytochrome containing a ferroheme. KEGG:C00924 phenio.json Ferrocytochrome http://purl.obolibrary.org/obo/CHEBI_15983 3_STAR
CHEBI:15984 biolink:ChemicalSubstance N-(4-nitrophenyl)-3-oxovalidamine KEGG:C03995 phenio.json (2R,3R,5S,6S)-2,6-dihydroxy-3-(hydroxymethyl)-5-[(4-nitrophenyl)amino]cyclohexanone|4-Nitrophenyl-3-ketovalidamine|4-nitrophenyl-3-ketovalidamine|N-(4-Nitrophenyl)-3-ketovalidamine|p-Nitrophenyl-3-ketovalidamine http://purl.obolibrary.org/obo/CHEBI_15984 3_STAR
CHEBI:15986 biolink:ChemicalSubstance polynucleotide A nucleobase-containing molecular entity with a polymeric structure comprised of a linear sequence of 13 or more nucleotide residues. KEGG:C00419 phenio.json Polynucleotide|polynucleotides http://purl.obolibrary.org/obo/CHEBI_15986 3_STAR
CHEBI:15987 biolink:ChemicalSubstance trithionate(2-) CAS:15579-17-6|Gmelin:142337|KEGG:C01861 phenio.json (O3S.S.SO3)2-|2,2,4,4-tetraoxido-1,5-dioxy-2,3,4-trisulfy-[5]catenate(2-)|Trithionat|Trithionate|[O3SSSO3](2-)|[S3O6](2-)|trithionate http://purl.obolibrary.org/obo/CHEBI_15987 3_STAR
CHEBI:15989 biolink:ChemicalSubstance L-methionine S-oxide residue KEGG:C03895 phenio.json L-methionine S-oxide residue|Protein L-methionine S-oxide http://purl.obolibrary.org/obo/CHEBI_15989 3_STAR
CHEBI:15992 biolink:ChemicalSubstance 1-hydroxy-2-naphthoate A hydroxy monocarboxylic acid anion that is the conjugate base of 1-hydroxy-2-naphthoic acid. Gmelin:332420|KEGG:C03203|Reaxys:3906464|UM-BBD_compID:c0438 phenio.json 1-hydroxy-2-naphthoate|1-hydroxy-2-naphthoate(1-) http://purl.obolibrary.org/obo/CHEBI_15992 3_STAR
CHEBI:15993 biolink:ChemicalSubstance N-acyl-D-glucosamine 6-phosphate An N-acyl-D-glucosamine phosphate having the phosphate group placed at the 6-position. KEGG:C04136 phenio.json N-Acyl-D-glucosamine 6-phosphate|N-acyl-D-glucosamine 6-phosphates http://purl.obolibrary.org/obo/CHEBI_15993 3_STAR
CHEBI:15996 biolink:ChemicalSubstance GTP Beilstein:1201437|Beilstein:74004|CAS:86-01-1|DrugBank:DB04137|KEGG:C00044|KNApSAcK:C00007223|PDBeChem:GTP|PMID:24904988 phenio.json 5'-GTP|GTP|GUANOSINE-5'-TRIPHOSPHATE|Guanosine 5'-triphosphate|H4gtp|guanosine 5'-(tetrahydrogen triphosphate)|guanosine 5'-triphosphoric acid|guanosine triphosphate http://purl.obolibrary.org/obo/CHEBI_15996 3_STAR
CHEBI:15997 biolink:ChemicalSubstance 2-methylpropanamine An alkylamine having isobutyl as the alkyl group. It has been isolated from Sambucus nigra (Elderberry). CAS:78-81-9|Gmelin:81862|HMDB:HMDB0034198|KEGG:C02787|MetaCyc:CPD-630|PDBeChem:IBN|PMID:2620174|Reaxys:385626|Wikipedia:Isobutylamine phenio.json 1-Amino-2-methylpropane|2-Methyl-1-Aminopropane|2-Methyl-1-propanamine|2-Methylpropanamine|2-Methylpropylamine|2-methyl-1-propanamine|2-methylpropanamine|3-Methyl-2-propylamine|I-Butylamine|IBA|Isobutylamine|Monoisobutylamine|Valamine|iso-Butylamine|iso-C4H9NH2 http://purl.obolibrary.org/obo/CHEBI_15997 3_STAR
CHEBI:15998 biolink:ChemicalSubstance (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl trihydrogen diphosphate A 7,8-dihydropterin having a diphosphomethyl substituent at the 6-position. Beilstein:8397629|CAS:3545-84-4|KEGG:C04807|PMID:10426953|Wikipedia:2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine phenio.json (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl trihydrogen diphosphate|2-Amino-7,8-dihydro-4-hydroxy-6-(diphosphooxymethyl)pteridine|2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine diphosphate|2-amino-4-hydroxy-6-pyrophosphoryl-methylpteridine|7,8-Dihydropterin pyrophosphate|Pteridine diphosphate http://purl.obolibrary.org/obo/CHEBI_15998 3_STAR
CHEBI:15999 biolink:ChemicalSubstance 4-hydroxyphenylpyruvic acid A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. CAS:156-39-8|DrugBank:DB07718|HMDB:HMDB0000707|KEGG:C01179|KNApSAcK:C00007512|MetaCyc:P-HYDROXY-PHENYLPYRUVATE|PDBeChem:ENO|PMID:11073718|PMID:9106023|Reaxys:2691632|Wikipedia:4-Hydroxyphenylpyruvic_acid phenio.json (4-hydroxyphenyl)pyruvic acid|(p-hydroxyphenyl)pyruvic acid|3-(4-HYDROXY-PHENYL)PYRUVIC ACID|3-(4-hydroxyphenyl)-2-oxopropanoic acid|3-(4-hydroxyphenyl)pyruvic acid|3-(p-hydroxyphenyl)-2-oxopropanoic acid|4-hydroxy alpha-oxobenzenepropanoic acid|4-hydroxyphenylpyruvic acid|p-Hydroxyphenylpyruvic acid http://purl.obolibrary.org/obo/CHEBI_15999 3_STAR
CHEBI:160 biolink:ChemicalSubstance D-erythro-isocitric acid The D-erythro-stereoisomer of isocitric acid. CAS:30810-51-6|KEGG:C04617|Reaxys:1727946 phenio.json (1S,2S)-1-hydroxypropane-1,2,3-tricarboxylic acid|3-carboxy-2,3-dideoxy-D-erythro-pentaric acid|D-erythro-Isocitric acid http://purl.obolibrary.org/obo/CHEBI_160 3_STAR
CHEBI:16000 biolink:ChemicalSubstance ethanolamine A member of the class of ethanolamines that is ethane with an amino substituent at C-1 and a hydroxy substituent at C-2, making it both a primary amine and a primary alcohol. CAS:141-43-5|DrugBank:DB03994|Gmelin:1650|HMDB:HMDB0000149|KEGG:C00189|KEGG:D05074|KNApSAcK:C00007279|PDBeChem:ETA|PMID:10930630|PMID:12834252|PMID:15149650|PMID:24023812|PMID:3654008|PMID:6196640|PMID:6708049|Reaxys:505944|UM-BBD_compID:c0594|Wikipedia:Ethanolamine phenio.json 1-amino-2-hydroxyethane|2-Amino-ethanol|2-Hydroxyethylamine|2-amino-1-ethanol|2-aminoethan-1-ol|2-aminoethanol|2-aminoethyl alcohol|Aethanolamin|Aminoethanol|ETA|Ethanolamine|Hea|MEA|MONOETHANOLAMINE|beta-aminoethanol|beta-aminoethyl alcohol|beta-ethanolamine|beta-hydroxyethylamine|colamine|glycinol|monoethanolamine http://purl.obolibrary.org/obo/CHEBI_16000 3_STAR
CHEBI:16001 biolink:ChemicalSubstance 3-phospho-D-glyceroyl dihydrogen phosphate The (R)-enantiomer of 3-phosphoglyceroyl dihydrogen phosphate. CAS:38168-82-0|KEGG:C00236|KNApSAcK:C00019552|PDBeChem:X15 phenio.json (2R)-2-hydroxy-1-oxopropane-1,3-diyl bis(dihydrogen phosphate)|(R)-2-Hydroxy-3-(phosphonooxy)-1-monoanhydride with phosphoric propanoic acid|1,3-Bisphospho-D-glycerate|3-Phospho-D-glyceroyl phosphate http://purl.obolibrary.org/obo/CHEBI_16001 3_STAR
CHEBI:16002 biolink:ChemicalSubstance D-glucaric acid The D-enantiomer of glucaric acid. CAS:87-73-0|Gmelin:604332|HMDB:HMDB0029881|KEGG:C00818|MetaCyc:D-GLUCARATE|PMID:18384797|PMID:21269605|PMID:24333274|Reaxys:1728113|Wikipedia:Saccharic_acid phenio.json (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid|D-(+)-saccharic acid|D-Glucaric acid|D-Glucosaccharic acid|D-Saccharic acid|D-glucaric acid|Glucaric acid|L-Gularic acid|saccharic acid http://purl.obolibrary.org/obo/CHEBI_16002 3_STAR
CHEBI:16003 biolink:ChemicalSubstance (R)-3-(4-hydroxyphenyl)lactic acid Beilstein:6115695|KEGG:C03964|PDBeChem:34H phenio.json (2R)-2-hydroxy-3-(4-hydroxyphenyl)propanoic acid http://purl.obolibrary.org/obo/CHEBI_16003 3_STAR
CHEBI:16004 biolink:ChemicalSubstance (R)-lactate An optically active form of lactate having (R)-configuration. Gmelin:362716|KEGG:C00256|MetaCyc:D-LACTATE|Reaxys:4655978 phenio.json (2R)-2-hydroxypropanoate|(R)-lactate|D-2-hydroxypropanoate|D-2-hydroxypropionate|D-lactate http://purl.obolibrary.org/obo/CHEBI_16004 3_STAR
CHEBI:16005 biolink:ChemicalSubstance methylarsonate(2-) Gmelin:324080|KEGG:C07294|UM-BBD_compID:c0752 phenio.json MeAsO3(2-)|[As(CH3)O3](2-)|methylarsonate http://purl.obolibrary.org/obo/CHEBI_16005 3_STAR
CHEBI:16007 biolink:ChemicalSubstance methanethiol CAS:74-93-1|KEGG:C00409|KNApSAcK:C00001258|PDBeChem:MEE|UM-BBD_compID:c0238 phenio.json Methanethiol|Methylmercaptan|methanethiol http://purl.obolibrary.org/obo/CHEBI_16007 3_STAR
CHEBI:16008 biolink:ChemicalSubstance salicylaldehyde A hydroxybenzaldehyde carrying a hydroxy substituent at position 2. CAS:90-02-8|Gmelin:3273|HMDB:HMDB0034170|KEGG:C06202|MetaCyc:SALICYLALDEHYDE|PDBeChem:NK|PMID:18247142|PMID:23379671|PMID:23715243|Reaxys:471388|UM-BBD_compID:c0337|Wikipedia:Salicylaldehyde phenio.json 2-Hydroxybenzaldehyde|2-hydroxybenzaldehyde|Salicylaldehyd|Salicylaldehyde|Salizylaldehyd|o-Hydroxybenzaldehyde|o-formylphenol|salicylal|salicylaldehyde http://purl.obolibrary.org/obo/CHEBI_16008 3_STAR
CHEBI:16009 biolink:ChemicalSubstance 9-riburonosyladenine A purine nucleoside having adenine as the nucleobase and a carboxy group at C-5'. Beilstein:627742|CAS:3415-09-6 phenio.json 1-(6-amino-9H-purin-9-yl)-1-deoxy-beta-D-ribofuranuronic acid|9-Riburonosyladenine|9-beta-D-ribofuranuronosyl-9H-purin-6-amine|9-beta-D-ribofuranuronosyladenine|Ado-5'-COOH|adenosine 5'-carboxylic acid|adenosine-5'-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_16009 3_STAR
CHEBI:16010 biolink:ChemicalSubstance 5-oxoproline An oxoproline having the oxo group placed at the 5-position. It is an intermediate metabolite in the glutathione cycle. CAS:149-87-1|PMID:17439666|PMID:22770225|PMID:23217740|Reaxys:82131|Wikipedia:Pyroglutamic_acid phenio.json 2-pyrrolidone-5-carboxylic acid|5-OXOPROLINE|5-Oxoproline|5-Pyrrolidone-2-carboxylic acid|5-oxo-DL-proline|5-oxoproline|5-oxopyrrolidine-2-carboxylic acid|Glp|Pyroglutamate|Pyroglutamic acid http://purl.obolibrary.org/obo/CHEBI_16010 3_STAR
CHEBI:16011 biolink:ChemicalSubstance 2-ethylhexan-1-ol A primary alcohol that is hexan-1-ol substituted by an ethyl group at position 2. CAS:104-76-7|HMDB:HMDB0031231|KEGG:C02498|PMID:22520499|PMID:24529788|PMID:24716585|Reaxys:1719280|Wikipedia:2-Ethylhexanol phenio.json 2-Ethyl-1-hexanol|2-Ethylhexan-1-ol|2-ethyl-1-hexanol|2-ethylhexan-1-ol http://purl.obolibrary.org/obo/CHEBI_16011 3_STAR
CHEBI:160129 biolink:ChemicalSubstance 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline A 1,2,3,4-tetrahydroisoquinoline hacing chloro substituents at the 7- and 8-positions. Beilstein:1567923|CAS:61563-24-4|DrugBank:DB08550|PDBeChem:SKA phenio.json 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline http://purl.obolibrary.org/obo/CHEBI_160129 3_STAR
CHEBI:16013 biolink:ChemicalSubstance 5-(3,4-diacetoxybut-1-ynyl)-2,2'-bithiophene Beilstein:1326783|KEGG:C04606 phenio.json 1-(2,2'-bithien-5-yl)but-1-yne-3,4-diyl diacetate|5-(3,4-Diacetoxybut-1-ynyl)-2,2'-bithiophene|5-(3,4-diacetoxybut-1-ynyl)-2,2'-bithiophene http://purl.obolibrary.org/obo/CHEBI_16013 3_STAR
CHEBI:16015 biolink:ChemicalSubstance L-glutamic acid An optically active form of glutamic acid having L-configuration. BPDB:2297|CAS:56-86-0|DrugBank:DB00142|Drug_Central:1310|Gmelin:3502|HMDB:HMDB0000148|KEGG:C00025|KEGG:D00007|KNApSAcK:C00001358|LINCS:LSM-36375|MetaCyc:GLT|PDBeChem:GLU_LFOH|PMID:15739367|PMID:15930465|PMID:16719819|PMID:16892196|PMID:19581495|PMID:22219301|PMID:22735334|Reaxys:1723801|Wikipedia:L-Glutamic_Acid phenio.json (2S)-2-aminopentanedioic acid|(S)-2-aminopentanedioic acid|(S)-glutamic acid|E|GLUTAMIC ACID|Glu|Glutamate|L-Glu|L-Glutamic acid|L-Glutaminic acid|L-Glutaminsaeure|L-glutamic acid|acide glutamique|acido glutamico|acidum glutamicum|glutamic acid http://purl.obolibrary.org/obo/CHEBI_16015 3_STAR
CHEBI:16016 biolink:ChemicalSubstance dihydroxyacetone A ketotriose consisting of acetone bearing hydroxy substituents at positions 1 and 3. The simplest member of the class of ketoses and the parent of the class of glycerones. CAS:96-26-4|DrugBank:DB01775|HMDB:HMDB0001882|KEGG:C00184|KEGG:D07841|MetaCyc:DIHYDROXYACETONE|PDBeChem:2HA|PMID:20936361|PMID:21549029|PMID:21598406|PMID:23543734|PMID:23554234|PMID:23748086|PMID:24209782|Reaxys:1740268|Wikipedia:Dihydroxyacetone phenio.json 1,3-Dihydroxy-2-propanone|1,3-Dihydroxyacetone|1,3-Dihydroxydimethyl ketone|1,3-Dihydroxypropan-2-one|1,3-Dihydroxypropanone|1,3-dihydroxypropan-2-one|1,3-propanediol-2-one|Bis(hydroxymethyl) ketone|DHA|DIHYDROXYACETONE|Dihydroxyacetone|Glycerone|alpha,alpha'-dihydroxyacetone|dihydroxyacetone http://purl.obolibrary.org/obo/CHEBI_16016 3_STAR
CHEBI:16017 biolink:ChemicalSubstance benzyl thiocyanate Beilstein:1859726|CAS:3012-37-1|KEGG:C02660 phenio.json Benzyl thiocyanate|Solvat 14|Thiocyanic acid benzyl ester|Thiocyanic acid, phenylmethyl ester|Tropeolin|alpha-Thiocyanatotoluene|benzyl thiocyanate http://purl.obolibrary.org/obo/CHEBI_16017 3_STAR
CHEBI:16019 biolink:ChemicalSubstance prenol CAS:556-82-1|KEGG:C01390|KEGG:C17628 phenio.json 3-Methyl-2-buten-1-ol|3-methyl-2-buten-1-ol|3-methylbut-2-en-1-ol|Prenol|prenol http://purl.obolibrary.org/obo/CHEBI_16019 3_STAR
CHEBI:16020 biolink:ChemicalSubstance 1-methyladenosine A methyladenosine carrying a methyl substituent at position 1. CAS:15763-06-1|HMDB:HMDB0003331|KEGG:C02494|MetaCyc:1-METHYLADENOSINE|PMID:24177150|PMID:24367489|PMID:8434538|Reaxys:42832 phenio.json 1-Methyladenosine|1-methyladenosine|m1a http://purl.obolibrary.org/obo/CHEBI_16020 3_STAR
CHEBI:16021 biolink:ChemicalSubstance oleandomycin 2'-O-phosphate The 2'-O-phospho derivative of oleandomycin. KEGG:C03796 phenio.json (3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-[3,4,6-trideoxy-3-(dimethylamino)-2-O-phosphono-beta-D-xylo-hexopyranosyloxy]-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside|Oleandomycin 2'-O-phosphate http://purl.obolibrary.org/obo/CHEBI_16021 3_STAR
CHEBI:16022 biolink:ChemicalSubstance CDP-ribitol A nucleotide-alditol having cytosine as the nucleobase and ribitol as the alditol portion. CAS:3506-17-0|KEGG:C00789|MetaCyc:CPD-1111 phenio.json CDP 5-ester with D-ribitol|CDP-L-ribitol|CDPribitol|Cdp ribitol|Cytidine 5'-(trihydrogen diphosphate), P'-5-ester with D-ribitol|Cytidine diphosphate ribitol|cytidine 5'-{3-[(2R,3S,4S)-2,3,4,5-tetrahydroxypentyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_16022 3_STAR
CHEBI:16023 biolink:ChemicalSubstance D-erythrulose Beilstein:1721313|CAS:496-55-9|KEGG:C02022 phenio.json (3R)-1,3,4-trihydroxybutan-2-one|D-Erythrulose|D-erythrulose|D-glycero-Tetrulose|D-glycero-tetrulose http://purl.obolibrary.org/obo/CHEBI_16023 3_STAR
CHEBI:16024 biolink:ChemicalSubstance D-mannose A mannose with D-configuration. phenio.json D-manno-hexose|D-mannose http://purl.obolibrary.org/obo/CHEBI_16024 3_STAR
CHEBI:160246 biolink:ChemicalSubstance aminophenazone A pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a dimethylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It exhibits analgesic, anti-inflammatory, and antipyretic properties. CAS:58-15-1|DrugBank:DB01424|Drug_Central:171|Gmelin:103164|HMDB:HMDB0015493|KEGG:C07539|KEGG:D00556|LINCS:LSM-20000|PMID:23603897|PMID:23727364|PMID:24428683|Reaxys:222626|Wikipedia:Aminophenazone phenio.json (Dimethylamino)phenazone|1,5-Dimethyl-4-dimethylamino-2-phenyl-3-pyrazolone|1-Phenyl-2,3-dimethyl-4-(dimethylamino)-5-pyrazolone|1-Phenyl-2,3-dimethyl-4-dimethylaminopyrazol-5-one|2,3-Dimethyl-4-dimethylamino-1-phenyl-5-pyrazolone|3-Keto-1,5-dimethyl-4-dimethylamino-2-phenyl-2,3-dihydropyrazole|4-(Dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one|4-(Dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one|4-(Dimethylamino)antipyrine|4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one|4-Dimethylamino-1-phenyl-2,3-dimethylpyrazolone|4-Dimethylamino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one|4-Dimethylamino-2,3-dimethyl-1-phenyl-5-pyrazolone|4-Dimethylaminoantipyrine|4-Dimethylaminophenazone|Aminofenazone|Aminophenazon|Aminopyrine|Dimethylaminoantipyrine|Dimethylaminoazophene|Dimethylaminophenazon|Dimethylaminophenazone|Dimethylaminophenyldimethylpyrazolone|Dipyrine|aminofenazona|aminophenazone|aminophenazonum http://purl.obolibrary.org/obo/CHEBI_160246 3_STAR
CHEBI:16026 biolink:ChemicalSubstance LL-2,6-diaminopimelic acid A 2,6-diaminopimelic acid in which both chiral centres have S configuration. It is a component of bacterial cell wall. CAS:14289-34-0|HMDB:HMDB0001370|KEGG:C00666|KNApSAcK:C00007596|LIPID_MAPS_instance:LMFA01170102|Reaxys:1726901 phenio.json (2S,6S)-2,6-diaminoheptanedioic acid|(S,S)-2,6-diaminopimelic acid|(S-(R*,R*))-2,6-diaminoheptanedioic acid|L,L-2,6-diaminopimelic acid|LL-2,6-Diaminoheptanedioate|LL-2,6-Diaminopimelate|LL-2,6-Diaminopimelic acid http://purl.obolibrary.org/obo/CHEBI_16026 3_STAR
CHEBI:16027 biolink:ChemicalSubstance adenosine 5'-monophosphate A purine ribonucleoside 5'-monophosphate having adenine as the nucleobase. CAS:61-19-8|COMe:MOL000174|DrugBank:DB00131|Drug_Central:92|Gmelin:38561|HMDB:HMDB0000045|KEGG:C00020|KEGG:D02769|KNApSAcK:C00019347|LINCS:LSM-5914|MetaCyc:AMP|PDBeChem:AMP|PMID:11307758|PMID:12020809|PMID:12181610|PMID:15148540|PMID:15946677|PMID:16091942|PMID:16250233|PMID:16295522|PMID:17439666|PMID:22215671|PMID:22624049|PMID:2559771|Reaxys:54612|Wikipedia:Adenylic_acid phenio.json 5'-AMP|5'-Adenosine monophosphate|5'-Adenylic acid|5'-O-phosphonoadenosine|5'-adenylic acid|ADENOSINE MONOPHOSPHATE|AMP|Adenosine 5'-monophosphate|Adenosine 5'-phosphate|Adenosine-5'-monophosphoric acid|Adenylate|Adenylic acid|Ado5'P|PAdo|adenosine 5'-(dihydrogen phosphate)|adenosine phosphate|adenosine-5'P|adenosini phosphas|fosfato de adenosina|pA|phosphate d'adenosine http://purl.obolibrary.org/obo/CHEBI_16027 3_STAR
CHEBI:16028 biolink:ChemicalSubstance L-2,4-diaminobutyrate An L-alpha-amino-acid anion that is the conjugate base of L-2,4-diaminobutyric acid, arising from deprotonation of the carboxy group. DrugBank:DB03817 phenio.json (2S)-2,4-diaminobutanoate|L-2,4-diaminobutyrate anion|L-2,4-diaminobutyrate(1-) http://purl.obolibrary.org/obo/CHEBI_16028 3_STAR
CHEBI:16029 biolink:ChemicalSubstance N(alpha),N(alpha)-dimethyl-L-histidine The N(alpha),N(alpha)-dimethyl derivative of L-histidine. CAS:24940-57-6|KEGG:C04259|MetaCyc:NALPHANALPHA-DIMETHYL-L-HISTIDINE|PMID:5438052|Reaxys:3607906 phenio.json (2S)-2-(dimethylamino)-3-(1H-imidazol-4-yl)propanoic acid|N,N-dimethyl-L-histidine|Nalpha,Nalpha-Dimethyl-L-histidine http://purl.obolibrary.org/obo/CHEBI_16029 3_STAR
CHEBI:16030 biolink:ChemicalSubstance acyldolichol Dolichol esterified at the terminal hydroxy group. KEGG:C01884 phenio.json Acyldolichol|acyldolichol|acyldolichols http://purl.obolibrary.org/obo/CHEBI_16030 3_STAR
CHEBI:16031 biolink:ChemicalSubstance indole-3-acetamide A member of the class of indoles that is acetamide substituted by a 1H-indol-3-yl group at position 2. It is an intermediate in the production of plant hormone indole acetic acid (IAA). CAS:879-37-8|HMDB:HMDB0029739|KEGG:C02693|KNApSAcK:C00000108|MetaCyc:CPD-237|PDBeChem:TSR|PMID:22079545|PMID:22210218|PMID:22447967|PMID:23306880|PMID:23521653|PMID:24350783|Reaxys:143368 phenio.json 1H-indole-3-acetamide|2-(1H-indol-3-yl)acetamide|3-indoleacetamide|Indole-3-acetamide|indole-3-acetamide|indoleacetamide http://purl.obolibrary.org/obo/CHEBI_16031 3_STAR
CHEBI:16034 biolink:ChemicalSubstance phosphoguanidinoacetic acid A guanidinoacetate having a phospho group attached to the primary amino part of the guanidine moiety. KEGG:C03166 phenio.json (N'-phosphonocarbamimidamido)acetic acid|(N'-phosphonoguanidino)acetic acid|Guanidinoacetate phosphate|N-[imino(phosphonoamino)methyl]glycine|Phosphoguanidinoacetate|phosphoguanidoacetate http://purl.obolibrary.org/obo/CHEBI_16034 3_STAR
CHEBI:16035 biolink:ChemicalSubstance 2'-hydroxy-2,3-dihydrodaidzein A hydroxyisoflavanone that is 2,3-dihydrodaidzein with an additonal hydroxy substituent at position 2'. KEGG:C03567|KNApSAcK:C00009535|MetaCyc:2-HYDROXY-23-DIHYDRODAIDZEIN|PMID:2306102|Reaxys:5586737 phenio.json 2',4',7-trihydroxyisoflavanone|2'-Hydroxy-2,3-dihydrodaidzein|2'-Hydroxydihydrodaidzein|2'-hydroxy-2,3-dihydrodaidzein|3-(2,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_16035 3_STAR
CHEBI:16036 biolink:ChemicalSubstance ethyl (S)-3-hydroxyhexanoate The (S)-enantiomer of ethyl 3-hydroxyhexanoate. KEGG:C03865|Reaxys:5242430 phenio.json Ethyl (S)-3-hydroxyhexanoate|ethyl (3S)-3-hydroxyhexanoate|ethyl (S)-3-hydroxyhexanoate http://purl.obolibrary.org/obo/CHEBI_16036 3_STAR
CHEBI:16037 biolink:ChemicalSubstance 2-nitropropane A secondary nitroalkane that is propane in which a hydrogen at position 2 has been replaced by a nitro group. Mainly used as a solvent (b.p. 120degreeC). CAS:79-46-9|KEGG:C02116|MetaCyc:CPD-244|PDBeChem:NIS|PMID:1934149|PMID:21860502|PMID:22319232|PMID:25892624|Reaxys:1740684|UM-BBD_compID:c0555|Wikipedia:2-Nitropropane phenio.json 2-Nitropropane|2-nitropropane|dimethylnitromethane|i-C3H7NO2|isonitropropane|sec-nitropropane http://purl.obolibrary.org/obo/CHEBI_16037 3_STAR
CHEBI:16038 biolink:ChemicalSubstance phosphatidylethanolamine A class of glycerophospholipids in which a phosphatidyl group is esterified to the hydroxy group of ethanolamine. DrugBank:DB04327|HMDB:HMDB0060501|KEGG:C00350|LIPID_MAPS_instance:LMGP02010000|PMID:10540156|PMID:11042504|PMID:11159918|PMID:11829744|PMID:12139474|PMID:15653902|PMID:16037249|PMID:16303767|PMID:16620109|PMID:18034796|PMID:18259190|PMID:18398168|PMID:18462396|PMID:18570887|PMID:18957134|PMID:19393163|PMID:23354482|PMID:23369752|PMID:23543734|PMID:3196084|PMID:7980848|Wikipedia:Phosphatidylethanolamine phenio.json (3-Phosphatidyl)-ethanolamine|(3-Phosphatidyl)ethanolamine|1,2-diacyl-sn-glycero-3-phosphoethanolamine|1-Acyl-2-acyl-sn-glycero-3-phosphoethanolamine|Cephalin|O-(1-beta-Acyl-2-acyl-sn-glycero-3-phospho)ethanolamine|PE|Phosphatidylethanolamine|PtdEtn|phosphatidyl(amino)ethanols|phosphatidylethanolamines http://purl.obolibrary.org/obo/CHEBI_16038 3_STAR
CHEBI:16039 biolink:ChemicalSubstance ITP The inosine phosphate that has a triphosphate group at the 5'-position. It is an intermediate in the metabolism of purine. CAS:132-06-9|ECMDB:ECMDB00189|HMDB:HMDB0000189|KEGG:C00081|MetaCyc:ITP|PDBeChem:ITT|PMID:170291|PMID:20601097|PMID:24227841|Reaxys:600524|YMDB:YMDB00559 phenio.json 2'-inosine-5'-triphosphate|ITP|Inosine 5'-triphosphate|Inosine triphosphate|Inosine tripolyphosphate|O(5')-(tetrahydroxytriphosphoryl)inosine|inosine 5'-(tetrahydrogen triphosphate) http://purl.obolibrary.org/obo/CHEBI_16039 3_STAR
CHEBI:1604 biolink:ChemicalSubstance 3-methylguanine A methylguanine carrying the methyl substituent at position 3. CAS:2958-98-7|HMDB:HMDB0001566|KEGG:C02230|PMID:9069642 phenio.json 3-Methylguanine http://purl.obolibrary.org/obo/CHEBI_1604 3_STAR
CHEBI:16040 biolink:ChemicalSubstance cytosine An aminopyrimidine that is pyrimidin-2-one having the amino group located at position 4. CAS:71-30-7|Gmelin:82472|HMDB:HMDB0000630|KEGG:C00380|KNApSAcK:C00001498|MetaCyc:CYTOSINE|PDBeChem:CYT|PMID:14253484|PMID:22770225|PMID:7877593|Reaxys:2637|Wikipedia:Cytosine phenio.json 4-amino-2(1H)-pyrimidinone|4-amino-2-hydroxypyrimidine|4-aminopyrimidin-2(1H)-one|C|Cyt|Cytosin|Cytosine|Zytosin|cytosine http://purl.obolibrary.org/obo/CHEBI_16040 3_STAR
CHEBI:16042 biolink:ChemicalSubstance halide anion A monoatomic monoanion resulting from the addition of an electron to any halogen atom. KEGG:C00462 phenio.json HX|Halide|a halide anion|halide anions|halide ions|halide(1-)|halides|halogen anion http://purl.obolibrary.org/obo/CHEBI_16042 3_STAR
CHEBI:16044 biolink:ChemicalSubstance L-methionine residue KEGG:C03023|PDBeChem:MET_LL|RESID:AA0013 phenio.json -Met-|L-methionine|L-methionine residue|L-methionyl|M|Met|Protein L-methionine http://purl.obolibrary.org/obo/CHEBI_16044 3_STAR
CHEBI:16047 biolink:ChemicalSubstance Lys-tRNA(Lys) KEGG:C01931 phenio.json L-Lysyl-tRNA|L-Lysyl-tRNA(Lys)|Lys-tRNA(Lys) http://purl.obolibrary.org/obo/CHEBI_16047 3_STAR
CHEBI:16048 biolink:ChemicalSubstance FMNH2 The reduced 1,5-dihydro form of flavin mononucleotide. CAS:5666-16-0|COMe:MOL000044|HMDB:HMDB0001142|KEGG:C01847|MetaCyc:FMNH2|PMID:22770225|Reaxys:1234695 phenio.json 1,5-dihydroriboflavin 5'-(dihydrogen phosphate)|1-deoxy-1-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol|FMNH|FMNH2|Reduced FMN|flavin mononucleotide (reduced) http://purl.obolibrary.org/obo/CHEBI_16048 3_STAR
CHEBI:16049 biolink:ChemicalSubstance CDP-abequose A CDP-sugar having abequose as the sugar component. phenio.json cytidine 5'-[3-(3,6-dideoxy-D-xylo-hexopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16049 3_STAR
CHEBI:16050 biolink:ChemicalSubstance N-acetylisatin An indoledione consisting of isatin carrying an N-acetyl substituent. CAS:574-17-4|KEGG:C02172|PMID:10086325|PMID:17378546|PMID:1763945|Reaxys:144609 phenio.json 1-Acetyl-indole-2,3-dione|1-Acetylisatin|1-acetyl-1H-indole-2,3-dione|Acetylisatin|N-Acetylisatin|N-acetylisatin http://purl.obolibrary.org/obo/CHEBI_16050 3_STAR
CHEBI:16051 biolink:ChemicalSubstance poly(ribitol phosphate) A polymeric compound composed of repeating ribose-1-phosphate units. CAS:51584-96-4|KEGG:C00653|KEGG:G10558 phenio.json (Ribitol phosphate)n|(Ribitol phosphate)n+1|Poly(ribitol phosphate)|Poly-1,5-ribitol phosphate|Polyribitol phosphate|Polyribose-ribitol phosphate|Polyribosylribitolphosphate|poly{[(1S,2S,3R)-1,2,3-trihydroxybutane-1,4-diyl]oxy(hydroxyphosphoryl)oxy} http://purl.obolibrary.org/obo/CHEBI_16051 3_STAR
CHEBI:16052 biolink:ChemicalSubstance propene An alkene that is propane with a double bond at position 1. CAS:115-07-1|Gmelin:852|KEGG:C11505|MetaCyc:PROPENE|PMID:24242248|PMID:24504669|Reaxys:1696878|UM-BBD_compID:c0067|Wikipedia:Propene phenio.json 1-propene|1-propylene|CH2=CH-CH3|Propene|R-1270|methylethene|methylethylene|prop-1-ene|propene|propylene http://purl.obolibrary.org/obo/CHEBI_16052 3_STAR
CHEBI:16053 biolink:ChemicalSubstance 1beta,3beta,4alpha-p-menthane-3,8-diol Beilstein:2498244|Beilstein:5240317|CAS:91739-72-9|KNApSAcK:C00000148 phenio.json (-)-3,8-p-Menthanediol|(1R,2R,5R)-2-(1-hydroxy-1-methylethyl)-5-methylcyclohexanol|(1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol|(1R,3R,4R)-2-hydroxy-alpha,alpha,4-trimethylcyclohexanemethanol|(1R,3R,4R)-p-menthane-3,8-diol|1,4-menthane-3,8-diol http://purl.obolibrary.org/obo/CHEBI_16053 3_STAR
CHEBI:16054 biolink:ChemicalSubstance 2-benzylsuccinic acid A dicarboxylic acid consisting of succinic acid carrying a 2-benzyl substituent. CAS:884-33-3|KEGG:C09816|PMID:12058935|PMID:1610173|PMID:4735879|Reaxys:1966188|UM-BBD_compID:c0340 phenio.json (phenylmethyl)butanedioic acid|2-benzylbutanedioic acid|Benzylsuccinate|D,L-Benzylsuccinic Acid|alpha-benzylsuccinic acid|benzylsuccinic acid|beta-carboxybenzenebutanoic acid http://purl.obolibrary.org/obo/CHEBI_16054 3_STAR
CHEBI:16057 biolink:ChemicalSubstance prenyl diphosphate A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. Beilstein:1713791|CAS:358-72-5|DrugBank:DB01785|KEGG:C00235|KEGG:C17627|KNApSAcK:C00007294|LIPID_MAPS_instance:LMPR01010001|PDBeChem:DMA|PMID:10608778|PMID:11355861|PMID:22300296|PMID:23262281|PMID:27356974|Reaxys:1713791 phenio.json 2-Isopentenyl diphosphate|3,3-dimethylallyl pyrophosphate|3-methylbut-2-en-1-yl trihydrogen diphosphate|3-methylbut-2-enyl phosphono hydrogen phosphate|DIMETHYLALLYL DIPHOSPHATE|DMAPP|Dimethylallyl diphosphate|Dimethylallyl pyrophosphate|Monoprenyl diphosphate|Prenol pyrophosphate|Prenyl diphosphate|delta-Prenyl diphosphate|delta2-Isopentenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_16057 3_STAR
CHEBI:16058 biolink:ChemicalSubstance 2D-5-O-methyl-2,3,5/4,6-pentahydroxycyclohexanone KEGG:C01295 phenio.json (2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-methoxycyclohexanone|2D-5-O-methyl-2,3,5/4,6-pentahydroxycyclohexanone|5D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone|D-5-O-Methyl-2,3,5/4,6-pentahydroxycyclohexanone http://purl.obolibrary.org/obo/CHEBI_16058 3_STAR
CHEBI:16060 biolink:ChemicalSubstance 10-deoxysarpagine An indole alkaloid that is sarpagan bearing a hydroxy group at position 17. CAS:604-99-9|KEGG:C11635|KNApSAcK:C00025193 phenio.json 10-Deoxysarpagine|10-deoxysarpagine|Sarpagan-17-ol|sarpagan-17-ol http://purl.obolibrary.org/obo/CHEBI_16060 3_STAR
CHEBI:16062 biolink:ChemicalSubstance N-acyl-D-mannosamine KEGG:C00625 phenio.json N-Acyl-D-mannosamine|an N-acyl-D-mannosamine http://purl.obolibrary.org/obo/CHEBI_16062 3_STAR
CHEBI:16063 biolink:ChemicalSubstance limonin 17-beta-D-glucoside Beilstein:4899426|CAS:123564-61-4|KEGG:C06740 phenio.json (3'S,4aS,6aR,8aR,9R,10S,12aR,12bR)-10-[(R)-furan-3-yl(beta-D-glucopyranosyloxy)methyl]-6,6,8a,10-tetramethyl-3,8-dioxodecahydro-3H,6H-spiro[naphtho[1',2':3,4]furo[3,2-c]pyran-9,2'-oxirane]-3'-carboxylic acid|Glucosyl-limonin|Limonin 17-beta-D-glucopyranoside|Limonin 17-beta-D-glucoside|beta-D-glucosyl-limonin http://purl.obolibrary.org/obo/CHEBI_16063 3_STAR
CHEBI:16064 biolink:ChemicalSubstance keto-3-deoxy-D-manno-octulosonate KEGG:C01187 phenio.json 2-Dehydro-3-deoxy-D-octonate|3-deoxy-D-manno-octulosonate|3-deoxyoctulosonate|keto-3-deoxy-D-manno-oct-2-ulosonate http://purl.obolibrary.org/obo/CHEBI_16064 3_STAR
CHEBI:16065 biolink:ChemicalSubstance scopolin A member of the class of coumarins that is scopoletin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. CAS:531-44-2|KEGG:C01527|KNApSAcK:C00002500|MetaCyc:SCOPOLIN|PMID:22032697|Reaxys:50851|Wikipedia:Scopolin phenio.json 6-methoxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside|7-(beta-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one|Scopolin|scopolin http://purl.obolibrary.org/obo/CHEBI_16065 3_STAR
CHEBI:16066 biolink:ChemicalSubstance 11-cis-retinal A retinal having 2E,4Z,6E,8E-double bond geometry. CAS:564-87-4|HMDB:HMDB0002152|KEGG:C02110|LIPID_MAPS_instance:LMPR01090003|MetaCyc:CPD-881|PMID:10655150|PMID:11161734|PMID:11390257|PMID:16026160|PMID:17003450|PMID:18370404|PMID:18563917|PMID:18606814|PMID:19339306|PMID:19830653|PMID:2440575|Reaxys:1914181 phenio.json (2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal|11-cis-Retinal|11-cis-Retinene|11-cis-Vitamin A aldehyde|11-cis-retinal|11-cis-retinene|11-cis-vitamin A aldehyde http://purl.obolibrary.org/obo/CHEBI_16066 3_STAR
CHEBI:16067 biolink:ChemicalSubstance 1D-myo-inositol 1,4,5,6-tetrakisphosphate A myo-inositol tetrakisphosphate having the four phosphate groups at the 1-, 4-, 5- and 6-positions. Beilstein:3116166|KEGG:C11555 phenio.json 1D-myo-Inositol 1,4,5,6-tetrakisphosphate|1D-myo-inositol 1,4,5,6-tetrakis(dihydrogen phosphate)|D-myo-Inositol 1,4,5,6-tetrakisphosphate|Inositol 1,4,5,6-tetrakisphosphate http://purl.obolibrary.org/obo/CHEBI_16067 3_STAR
CHEBI:16068 biolink:ChemicalSubstance 2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid The 2-(3,4-dihydroxybenzoyl) derivative of 2,4,6-trihydroxybenzoic acid. A metabolite of quercetin, an abundant flavonoid found in edible vegetables, grains and fruits which is used as an ingredient in supplements, beverages, or foods. CAS:30048-34-1|HMDB:HMDB0059651|KEGG:C04524|PMID:12105970|Reaxys:3005017 phenio.json 2,4DiOH-6(2,4DiOHBenAcid)BenzAcid|2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate|2-(3,4-dihydroxybenzoyloxy)-4,6-dihydroxybenzoic acid|2-Protocatechuoyl phloroglucinolcarboxylate|2PCPGCA http://purl.obolibrary.org/obo/CHEBI_16068 3_STAR
CHEBI:16069 biolink:ChemicalSubstance 1H-imidazole An imidazole tautomer which has the migrating hydrogen at position 1. CAS:288-32-4|Gmelin:1417|HMDB:HMDB0001525|KEGG:C01589|PDBeChem:IMD|PMID:9730817|Patent:US3255200|Reaxys:103853 phenio.json 1,3-Diazole|1,3-diaza-2,4-cyclopentadiene|1,3-diazole|1H-imidazole|Glyoxaline|Him|IMD|Imidazol|Imidazole|N,N'-1,2-ethenediylmethanimidamide|N,N'-vinyleneformamidine|imidazole|iminazole|miazole|pyrro[b]monazole http://purl.obolibrary.org/obo/CHEBI_16069 3_STAR
CHEBI:16070 biolink:ChemicalSubstance 1,5-anhydro-D-glucitol An anhydro sugar of D-glucitol. CAS:154-58-5|HMDB:HMDB0002712|KEGG:C07326|PDBeChem:ASO|PMID:15277408|PMID:18492944|PMID:19796288|Reaxys:80736|Wikipedia:1,5-Anhydroglucitol phenio.json (2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol|1,5-ANHYDROSORBITOL|1,5-Anhydro-D-glucitol|1,5-Anhydro-D-sorbitol|1,5-Anhydroglucitol|1,5-anhydro-D-glucitol|1,5-anhydro-D-sorbitol|1,5-anhydroglucitol http://purl.obolibrary.org/obo/CHEBI_16070 3_STAR
CHEBI:16072 biolink:ChemicalSubstance maleimide A cyclic dicarboximide in which the two carboacyl groups on nitrogen together with the nitogen itself form a 1H-pyrrole-2,5-dione structure. CAS:541-59-3|KEGG:C07272|MetaCyc:MALEIMIDE|PMID:11961142|Reaxys:106910|Wikipedia:Maleimide phenio.json 1H-pyrrole-2,5-dione|2,5-Pyrroledione|Maleic imide|Maleimide|maleimide http://purl.obolibrary.org/obo/CHEBI_16072 3_STAR
CHEBI:16073 biolink:ChemicalSubstance N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate A polyprenyl phospho oligosaccharide where N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl comprises the oligosaccharide component and the polyprenyl chain consists of eleven prenyl units. KEGG:G00177 phenio.json 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-mannopyranosyl]-2-deoxy-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_16073 3_STAR
CHEBI:16076 biolink:ChemicalSubstance 11alpha-hydroxyprogesterone A 11alpha-hydroxy steroid that is pregn-4-ene-3,20-dione substituted by a hydroxy group at position 11. CAS:80-75-1|HMDB:HMDB0000920|KEGG:C03747|LIPID_MAPS_instance:LMST02030184|PMID:10373218|PMID:1245704|PMID:13068348|PMID:13740999|PMID:702293|PMID:925270|Reaxys:2224223 phenio.json (11alpha)-11-hydroxypregn-4-ene-3,20-dione|11alpha-Hydroxyprogesterone|11alpha-hydroxypregn-4-ene-3,20-dione|11alpha-hydroxyprogesterone|4-pregnen-11alpha-ol-3,20-dione http://purl.obolibrary.org/obo/CHEBI_16076 3_STAR
CHEBI:16077 biolink:ChemicalSubstance D-glucopyranose 1-phosphate A D-glucose monophosphate in which the phosphate group is located at position 1. Beilstein:1348659|HMDB:HMDB0001586|MetaCyc:D-glucose-1-phosphates|PMID:17439666|PMID:21115809|PMID:23863124|Reaxys:1348659|Wikipedia:Glucose-1-phosphate phenio.json 1-O-phosphono-D-glucopyranose|Cori ester|D-Glucose 1-phosphate|D-glucopyranose 1-(dihydrogen phosphate)|Glc-1-P http://purl.obolibrary.org/obo/CHEBI_16077 3_STAR
CHEBI:16079 biolink:ChemicalSubstance benzyl 2-methyl-3-oxobutanoate A benzyl ester obtained by the formal condensation of the carboxy group of 2-methylacetoacetic acid with the hydroxy group of benzyl alcohol. KEGG:C04000|Reaxys:2417095 phenio.json Benzyl 2-methyl-3-oxobutanoate|benzyl 2-methyl-3-oxobutanoate http://purl.obolibrary.org/obo/CHEBI_16079 3_STAR
CHEBI:16080 biolink:ChemicalSubstance gamma-amino-beta-hydroxybutyric acid A gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent. Beilstein:1721708|Beilstein:1752568|CAS:352-21-6|Drug_Central:1263|KEGG:C03678|KEGG:D00174 phenio.json 3-hydroxy-GABA|4-Amino-3-hydroxybutanoic acid|4-amino-3-hydroxybutanoic acid|4-amino-3-hydroxybutyric acid|GABOB|gamma-Amino-beta-hydroxybutyric acid http://purl.obolibrary.org/obo/CHEBI_16080 3_STAR
CHEBI:16081 biolink:ChemicalSubstance dTDP-L-dihydrostreptose A dTDP-sugar having dihydrostreptose as the sugar component. KEGG:C03442 phenio.json dTDP-L-dihydrostreptose|thymidine 5'-{3-[5-deoxy-3-C-(hydroxymethyl)-L-lyxofuranosyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_16081 3_STAR
CHEBI:16082 biolink:ChemicalSubstance UDP-alpha-D-xylose A UDP-sugar having alpha-xylose as the sugar component. It is an important metabolite in the nucleotide sugar metabolism in animals, plants, fungi, and bacteria. CAS:3616-06-6|HMDB:HMDB0001018|KEGG:C00190|KEGG:G10613|PDBeChem:UDX|PMID:12481102|PMID:20847005|PMID:22008417|PMID:23053089|PMID:24561591|Reaxys:101812 phenio.json UDP-D-xylose|UDP-alpha-D-xylose|UDP-xylose|UDPxylose|URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE|Udp xylose|Uridine 5'-(trihydrogen diphosphate), P'-alpha-D-xylopyranosyl ester|Uridine diphosphate xylose|uridine 5'-[3-(alpha-D-xylopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16082 3_STAR
CHEBI:16083 biolink:ChemicalSubstance (S)-3-(indol-3-yl)-2-oxobutyric acid The (S)-enantiomer of 3-(indol-3-yl)-2-oxobutyric acid. Beilstein:477499 phenio.json (3S)-3-(1H-indol-3-yl)-2-oxobutanoic acid|(S)-beta-Methylindolepyruvate|(S)-beta-methylindolepyruvic acid http://purl.obolibrary.org/obo/CHEBI_16083 3_STAR
CHEBI:16084 biolink:ChemicalSubstance beta-D-fructofuranose 6-phosphate A D-fructofuranose 6-phosphate with a beta-configuration at the anomeric position. Beilstein:2334545|KEGG:C05345|KNApSAcK:C00019548|PDBeChem:F6P|Wikipedia:Fructose_6-phosphate phenio.json 6-O-phosphono-beta-D-fructofuranose|FRUCTOSE-6-PHOSPHATE|beta-D-Fructose 6-phosphate|beta-D-fructofuranose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16084 3_STAR
CHEBI:16085 biolink:ChemicalSubstance UDP-alpha-D-galacturonic acid CAS:50722-58-2|KEGG:C00617|KEGG:G11110|KNApSAcK:C00007237 phenio.json UDP-D-galacturonate|UDPgalacturonate|uridine 5'-(alpha-D-galactopyranosyluronic acid pyrophosphate)|uridine 5'-[3-(alpha-D-galactopyranuronosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16085 3_STAR
CHEBI:16086 biolink:ChemicalSubstance mycothione The disulfide resulting from oxidative coupling of the thiol groups of two molecules of mycothiol. Beilstein:6953243|KEGG:C11502|KEGG:G11175 phenio.json (2R,2'R)-3,3'-disulfanediylbis{2-(acetylamino)-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}tetrahydro-2H-pyran-3-yl]propanamide}|MSSM|Mycothione|mycothione http://purl.obolibrary.org/obo/CHEBI_16086 3_STAR
CHEBI:16087 biolink:ChemicalSubstance isocitrate(3-) Propan-1-ol with a hydrogen at each of the 3 carbon positions substituted with a carboxylate group. Gmelin:329802|HMDB:HMDB0000193|KEGG:C00311|MetaCyc:Isocitrate|Reaxys:3971277 phenio.json 1-hydroxypropane-1,2,3-tricarboxylate|1-hydroxytricarballylate|3-carboxylato-2,3-dideoxypentarate http://purl.obolibrary.org/obo/CHEBI_16087 3_STAR
CHEBI:16089 biolink:ChemicalSubstance 6-deoxyerythronolide B CAS:15797-36-1|DrugBank:DB04070|KEGG:C03240|LIPID_MAPS_instance:LMPK04000002|PDBeChem:DEB phenio.json (3R,4S,5R,6S,7S,9R,11R,12S,13R,14R)-14-ethyl-4,6,12-trihydroxy-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione|3,5,11-Trihydroxyerythranolid-9-one|6,12-Dideoxy-erythronolide A|6-DEOXYERYTHRONOLIDE B|6-Deoxyerythronolide B|6-deoxyerythronolide B http://purl.obolibrary.org/obo/CHEBI_16089 3_STAR
CHEBI:16091 biolink:ChemicalSubstance dolichol Any one of a group of prenol derivatives made up of varying numbers of cis-linked isoprene units, terminating in an alpha-saturated isoprenoid group containing an alcohol functional group, with the three isoprene units at the distal end trans-linked. KEGG:C00381|PMID:12702274|PMID:14739709|PMID:20637498|PMID:21570481|PMID:22717794|PMID:23059969|PMID:8486680 phenio.json 2,3-dihydropolyprenol|Dolichol|alpha-(4-hydroxy-2-methylbutyl)-omega-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]poly[(2Z)-2-methylbut-2-ene-1,4-diyl]|di-trans,poly-cis-dolichol|dolichols http://purl.obolibrary.org/obo/CHEBI_16091 3_STAR
CHEBI:16092 biolink:ChemicalSubstance isoquinoline An ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring. CAS:119-65-3|DrugBank:DB04329|Gmelin:3676|HMDB:HMDB0034244|KEGG:C06323|MetaCyc:ISOQUINOLINE|PDBeChem:ISQ|Reaxys:107549|Wikipedia:Isoquinoline phenio.json 2-Benzazine|2-benzazine|Benzo[c]pyridine|ISOQUINOLINE|Isochinolin|Isoquinoline|isoquinoline http://purl.obolibrary.org/obo/CHEBI_16092 3_STAR
CHEBI:16093 biolink:ChemicalSubstance 2-methylene-3-methylsuccinic acid A dicarboxylic acid that is succinic acid substituted by a methylene group at position 2 and a methyl group at position 3. KEGG:C02295|PMID:12670228|Reaxys:1766046 phenio.json 2-Methylene-3-methylsuccinate|2-methyl-3-methylidenebutanedoic acid|Methylitaconate|methylitaconic acid http://purl.obolibrary.org/obo/CHEBI_16093 3_STAR
CHEBI:16094 biolink:ChemicalSubstance thiosulfate(2-) A divalent inorganic anion obtained by removal of both protons from thiosulfuric acid. CAS:14383-50-7|Gmelin:2031|PDBeChem:THJ|UM-BBD_compID:c0570|Wikipedia:Thiosulfate phenio.json Hyposulfite|S2O3|S2O3(2-)|TETRATHIONATE|Thiosulfate|[SO3S](2-)|sulfurothioate|thiosulfate|thiosulfate (S2O3(2-))|thiosulfate dianion|thiosulfate ion|thiosulfate ion(2-)|thiosulphate|trioxido-1kappa(3)O-disulfate(S--S)(2-)|trioxidosulfidosulfate(2-) http://purl.obolibrary.org/obo/CHEBI_16094 3_STAR
CHEBI:16095 biolink:ChemicalSubstance sepiapterin CAS:17094-01-8|KEGG:C00835 phenio.json 1-(2-amino-7,8-dihydro-4-hydroxypteridine-6-yl)-2-hydroxypropan-1-one|2-amino-6-(2-hydroxypropanoyl)-7,8-dihydropteridin-4(3H)-one|2-amino-6-lactoyl-7,8-dihydropteridin-4(3H)-one|Sepiapterin|sepiapterin http://purl.obolibrary.org/obo/CHEBI_16095 3_STAR
CHEBI:16096 biolink:ChemicalSubstance palmatine Beilstein:1555498|CAS:3486-67-7|KEGG:C05315|KNApSAcK:C00001898|KNApSAcK:C00027159|LINCS:LSM-6625 phenio.json 2,3,9,10-tetramethoxy-5,6-dihydroisoquino[3,2-a]isoquinolinium|5,6-Dihydro-2,3,9,10-tetramethoxydibenzo[a,g]quinolizinium|7,8,13,13a-tetrahydro-2,3,9,10-tetramethoxyberbinium|O,O-dimethyldemethyleneberberine|Palmatine|berbericinine|palmatine http://purl.obolibrary.org/obo/CHEBI_16096 3_STAR
CHEBI:16098 biolink:ChemicalSubstance 4-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde KEGG:C04796|KEGG:C17758 phenio.json (2E,4Z)-4-(L-alanin-3-yl)-2-hydroxy-6-oxohexa-2,4-dienoic acid|(2E,4Z,6S)-6-amino-2-hydroxy-4-(2-oxoethylidene)hept-2-enedioic acid|4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde http://purl.obolibrary.org/obo/CHEBI_16098 3_STAR
CHEBI:16099 biolink:ChemicalSubstance 4'-O-beta-D-glucosyl-cis-p-coumaric acid Beilstein:7170003|KEGG:C06739 phenio.json (2Z)-3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylic acid|(2Z)-3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_16099 3_STAR
CHEBI:16100 biolink:ChemicalSubstance 1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid A cyclohexadienecarboxylic acid that is cyclohexa-2,4-diene-1-carboxylic acid substituted by hydroxy group at positions 1 and 6 and a methyl group at position 2. KEGG:C06731|UM-BBD_compID:c0252 phenio.json 1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate|1,6-dihydroxy-2-methylcyclohexa-2,4-diene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_16100 3_STAR
CHEBI:16101 biolink:ChemicalSubstance ethylbenzene An alkylbenzene carrying an ethyl substituent. It is a constituent of coal tar and petroleum. CAS:100-41-4|DrugBank:DB01722|Gmelin:2990|HMDB:HMDB0059905|KEGG:C07111|MetaCyc:ETHYLBENZENE|Reaxys:1901871|UM-BBD_compID:c0116|Wikipedia:Ethylbenzene phenio.json Aethylbenzol|Ethylbenzene|Ethylbenzol|Ethylenzene|PHENYLETHANE|Phenylethane|alpha-methyltoluene|ethylbenzene http://purl.obolibrary.org/obo/CHEBI_16101 3_STAR
CHEBI:16104 biolink:ChemicalSubstance 3-(2-hydroxyphenyl)propanoic acid A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 is substituted by a 2-hydroxyphenyl group. CAS:495-78-3|KEGG:C01198|KNApSAcK:C00002756|MetaCyc:MELILOTATE|PMID:14243380|PMID:14269315|PMID:4192639|PMID:7483862|PMID:7839702|Reaxys:1681601|UM-BBD_compID:c0398 phenio.json 2-hydroxybenzenepropanoic acid|3-(2-Hydroxyphenyl)propionic acid|3-(2-hydroxyphenyl)propanoic acid|3-(2-hydroxyphenyl)propionic acid|3-(o-hydroxyphenyl) propionic acid|melilotic acid|o-Hydroxyphenylpropionic acid http://purl.obolibrary.org/obo/CHEBI_16104 3_STAR
CHEBI:16106 biolink:ChemicalSubstance 2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetic acid An organochlorine compound that is 2,5-dihydro-2-furylacetic acid substituted by chloro groups at positions 2 and 4 and an oxo group at position 5. KEGG:C04625 phenio.json (2,4-dichloro-5-oxo-2,5-dihydrofuran-2-yl)acetic acid|2,4-Dichloro-2,5-dihydro-5-oxofuran-2-acetate|3,5-Dichloro-2,5-dihydro-2-oxofuran-5-acetate|3,5-dichloro-2,5-dihydro-2-oxofuran-5-acetate http://purl.obolibrary.org/obo/CHEBI_16106 3_STAR
CHEBI:16108 biolink:ChemicalSubstance dihydroxyacetone phosphate A member of the class of glycerone phosphates that consists of glycerone bearing a single phospho substituent. CAS:57-04-5|Chemspider:648|DrugBank:DB04326|FooDB:FDB001618|HMDB:HMDB0001473|KEGG:C00111|KNApSAcK:C00007560|MetaCyc:DIHYDROXY-ACETONE-PHOSPHATE|PDBeChem:13P|PMID:10098675|PMID:1332571|PMID:15882454|PMID:20092811|PMID:23857558|PMID:26602120|PMID:29112947|PMID:29593097|PMID:3119940|PMID:31762135|PMID:32719541|PMID:8931639|Reaxys:1708891|Wikipedia:Dihydroxyacetone_phosphate phenio.json 1,3-Dihydroxy-2-propanone monodihydrogen phosphate|1,3-Dihydroxy-2-propanone phosphate|1,3-Dihydroxyacetone 1-phosphate|1-hydroxy-3-(phosphonooxy)-2-Propanone|1-hydroxy-3-(phosphonooxy)acetone|2-Propanone, 1-hydroxy-3-(phosphonooxy)-|3-hydroxy-2-oxopropyl dihydrogen phosphate|3-hydroxy-2-oxopropyl phosphate|DHAP|Dihydroxyacetone monophosphate|Dihydroxyacetone phosphate|Glycerone phosphate|dihydroxyacetone 3-phosphate|glycerone monophosphate http://purl.obolibrary.org/obo/CHEBI_16108 3_STAR
CHEBI:16109 biolink:ChemicalSubstance propane-1,3-diol The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210degreeC) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze. CAS:504-63-2|DrugBank:DB02774|KEGG:C02457|MetaCyc:CPD-347|PDBeChem:PDO|PMID:10531640|PMID:16020043|PMID:17439666|Reaxys:969155|Wikipedia:1,3-Propanediol phenio.json (HOCH2)2CH2|1,3-PROPANDIOL|1,3-Propanediol|1,3-dihydroxypropane|1,3-propylene glycol|1,3-propylenediol|2-(hydroxymethyl)ethanol|2-deoxyglycerol|CH2(CH2OH)2|HO(CH2)3OH|HOCH2CH2CH2OH|Propane-1,3-diol|Trimethylene glycol|beta-propylene glycol|omega-propanediol|propane-1,3-diol http://purl.obolibrary.org/obo/CHEBI_16109 3_STAR
CHEBI:16110 biolink:ChemicalSubstance 1,2-diacyl-sn-glycero-3-phosphocholine(1+) A phosphatidylcholine that is a glycerol phosphatide (phosphoglyceride, glycerophospholipid) in which the hydroxy group of choline is esterified with the phosphate group of phosphatidic acid. CAS:8002-43-5|KEGG:C00157|PDBeChem:PC1|PMID:16341241|PMID:3196084|PMID:7192727 phenio.json (3-sn-phosphatidyl)choline|1,2-Diacyl-sn-glycero-3-phosphocholine|1,2-diacyl-sn-glycero-3-phosphocholine|1,2-diacyl-sn-glycero-3-phosphocholines|Choline phosphatide|L-alpha-phosphatidylcholine|Lecithin|PC|Phosphatidyl-N-trimethylethanolamine|Phosphatidylcholine|lecithins http://purl.obolibrary.org/obo/CHEBI_16110 3_STAR
CHEBI:16111 biolink:ChemicalSubstance nonane-4,6-dione A nonanone carrying oxo substituents at positions 4 and 6 respectively. CAS:14090-88-1|KEGG:C02445|MetaCyc:NONANE-46-DIONE|Reaxys:1757685 phenio.json Nonane-4,6-dione|nonane-4,6-dione http://purl.obolibrary.org/obo/CHEBI_16111 3_STAR
CHEBI:16112 biolink:ChemicalSubstance chlorogenic acid A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin. CAS:327-97-9|HMDB:HMDB0003164|KEGG:C00852|KNApSAcK:C00002724|MetaCyc:CAFFEOYLQUINATE|PMID:16507475|PMID:22770225|Reaxys:2017157|Wikipedia:Chlorogenic_acid phenio.json 3-(3,4-Dihydroxycinnamoyl)quinic acid|3-Caffeoylquinic acid|3-O-Caffeoylquinic acid|5-O-(3,4-Dihydroxycinnamoyl)-L-quinic acid|Caffeoyl quinic acid|Chlorogenate|Chlorogenic acid|[1S-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid|edit(1S,3R,4R,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid|trans-5-O-Caffeoyl-D-quinate http://purl.obolibrary.org/obo/CHEBI_16112 3_STAR
CHEBI:16113 biolink:ChemicalSubstance cholesterol A cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group. CAS:57-88-5|DrugBank:DB04540|Gmelin:550297|HMDB:HMDB0000067|KEGG:C00187|KEGG:D00040|KNApSAcK:C00003648|LIPID_MAPS_instance:LMST01010001|MetaCyc:CHOLESTEROL|PDBeChem:CLR|PMID:10901445|PMID:11412894|PMID:16341241|PMID:24287311|PMID:25308664|PMID:25451949|PMID:25522988|PMID:25658343|PMID:25977713|PMID:4696527|PMID:8838010|Reaxys:2060565|Wikipedia:Cholesterol phenio.json (3beta,14beta,17alpha)-cholest-5-en-3-ol|CHOLESTEROL|Cholest-5-en-3beta-ol|Cholesterin|Cholesterol|cholest-5-en-3beta-ol|cholesterol http://purl.obolibrary.org/obo/CHEBI_16113 3_STAR
CHEBI:16114 biolink:ChemicalSubstance medicarpin A member of the class of pterocarpans that is 3-hydroxyptercarpan with a methoxy substituent at position 9. Beilstein:1322055 phenio.json 9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol|medicarpin http://purl.obolibrary.org/obo/CHEBI_16114 3_STAR
CHEBI:16116 biolink:ChemicalSubstance 3-hydroxy-4-methylanthranilic acid An aminobenzoic acid that is anthranilic acid substituted by a hydroxy group at position 3 and a methyl group at position 4. CAS:552-14-7|KEGG:C03986|PMID:23423168|PMID:458423|PMID:6202316|Reaxys:2363060 phenio.json 2-amino-3-hydroxy-4-methylbenzoic acid|3,4-Cresotic acid, 2-amino-|4-Methyl-3-hydroxyanthranilic acid http://purl.obolibrary.org/obo/CHEBI_16116 3_STAR
CHEBI:16118 biolink:ChemicalSubstance berberine Beilstein:3570374|CAS:2086-83-1|Chemspider:2263|DrugBank:DB04115|FooDB:FDB023165|HMDB:HMDB0003409|KEGG:C00757|KNApSAcK:C00001819|LINCS:LSM-6553|MetaCyc:BERBERINE|PDBeChem:BER|PMID:11860742|PMID:12232209|PMID:12428952|PMID:12433089|PMID:12468268|PMID:15040083|PMID:15531889|PMID:15739507|PMID:15768991|PMID:16379555|PMID:16448624|PMID:16505103|PMID:17089049|PMID:17295371|PMID:17531424|PMID:18537696|PMID:19014947|PMID:19336898|PMID:19640223|PMID:19652370|PMID:19704371|PMID:20471843|PMID:20847417|PMID:21401114|PMID:21420512|PMID:21500372|PMID:21661731|PMID:23231038|PMID:26167392|PMID:8730735|Pesticides:berberine|Wikipedia:Berberine phenio.json 5,6-dihydro-9,10-dimethoxy-1,3-benzodioxolo[5,6-a]benzo[g]quinolizinium|7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-[methylenebis(oxy)]berbinium|9,10-dimethoxy-2,3-(methylenedioxy)-7,8,13,13a-tetradehydroberbinium|9,10-dimethoxy-5,6-dihydro[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ium|BERBERINE|Berberin|Berberine|Umbellatine|berberine http://purl.obolibrary.org/obo/CHEBI_16118 3_STAR
CHEBI:16119 biolink:ChemicalSubstance shikimic acid A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metabolite in plants and microorganisms. CAS:138-59-0|HMDB:HMDB0003070|KEGG:C00493|KNApSAcK:C00001203|PDBeChem:SKM|PMID:24190737|PMID:24628944|PMID:24783849|PMID:24836188|PMID:24894540|PMID:24981409|Reaxys:2210055|Wikipedia:Shikimic_acid phenio.json (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid|3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid|3alpha,4alpha,5beta-trihydroxy-1-cyclohexene-1-carboxylic acid|L-shikimic acid|Shikimate|Shikimic acid|[3R-(3alpha,4alpha,5beta)]-3,4,5-trihydroxy-1-cyclohexene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_16119 3_STAR
CHEBI:16120 biolink:ChemicalSubstance 5-oxopentanoate A 5-oxo monocarboxylic acid anion that is the conjugate base of 5-oxopentanoic acid, arising from deprotonation of the carboxy group. KEGG:C03273 phenio.json 5-oxopentanoate|5-oxovalerate http://purl.obolibrary.org/obo/CHEBI_16120 3_STAR
CHEBI:16121 biolink:ChemicalSubstance N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide KEGG:C04924|KEGG:G00176 phenio.json (2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|beta-D-GalNAc-(1->4)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer http://purl.obolibrary.org/obo/CHEBI_16121 3_STAR
CHEBI:16122 biolink:ChemicalSubstance 3-(4-hydroxy-3,5-diiodophenyl)lactic acid A 2-hydroxy monocarboxylic acid that is lactic acid substituted by a 4-hydroxy-3,5-diiodophenyl group at position 3. KEGG:C04367|Reaxys:3209481 phenio.json 2-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid|3-(3,5-Diiodo-4-hydroxyphenyl)lactate http://purl.obolibrary.org/obo/CHEBI_16122 3_STAR
CHEBI:16123 biolink:ChemicalSubstance 6-oxocineole Beilstein:81893|CAS:70222-88-7|KEGG:C00848 phenio.json (-)-1,3,3-Trimethyl-2-oxabicyclo(2.2.1)octan-6-one|(1R,4S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octan-6-one|(1R,4S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-one|(R)-1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octan-6-one|6-Oxocineole|6-oxocineole http://purl.obolibrary.org/obo/CHEBI_16123 3_STAR
CHEBI:16125 biolink:ChemicalSubstance hexadecan-1-ol A long-chain primary fatty alcohol that is hexadecane substituted by a hydroxy group at position 1. CAS:36653-82-4|DrugBank:DB09494|Drug_Central:4750|FooDB:FDB003051|HMDB:HMDB0003424|KEGG:C00823|KEGG:D00099|KNApSAcK:C00052572|LIPID_MAPS_instance:LMFA05000061|MetaCyc:CPD-348|PDBeChem:PL3|PMID:10884288|PMID:12676987|PMID:14988513|PMID:16839564|PMID:16952239|PMID:18045091|PMID:20429444|PMID:24029555|PMID:25466225|PMID:26830023|PMID:31901073|PMID:4562642|PMID:8733635|Reaxys:1748475|Wikipedia:Cetyl_Alcohol phenio.json 1-Hexadecanol|1-cetanol|1-hexadecyl alcohol|16-Hexadecanol|Cetyl alcohol|Cetylalkohol|FEMA 2554|HEXADECAN-1-OL|Hexadecanol|Palmityl alcohol|cetanol|hexadecan-1-ol|n-1-hexadecanol|n-hexadecyl alcohol http://purl.obolibrary.org/obo/CHEBI_16125 3_STAR
CHEBI:16128 biolink:ChemicalSubstance dTDP-4-dehydro-6-deoxy-alpha-D-glucose A dTDP-sugar having 4-dehydro-6-deoxy-alpha-D-glucose as the sugar component. It is an intermediate in dTDP-rhamnose biosynthesis. FooDB:FDB022601|HMDB:HMDB0001399|KEGG:C11907|PDBeChem:T46|PMID:24616215 phenio.json dTDP-4-dehydro-6-deoxy-D-galactose|dTDP-4-dehydro-6-deoxy-D-glucose|dTDP-4-dehydro-6-deoxy-alpha-D-galactose|dTDP-4-dehydro-6-deoxy-alpha-D-glucose|dTDP-4-oxo-6-deoxy-alpha-D-glucose|dTDP-6-deoxy-alpha-D-xylo-4-hexulose|dTDP-6-deoxy-alpha-D-xylo-hex-4-ulose|thymidine 5'-[3-(6-deoxy-alpha-D-xylo-hexopyranosyl-4-ulose) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16128 3_STAR
CHEBI:16130 biolink:ChemicalSubstance DDT A chlorophenylethane that is 1,1,1-trichloro-2,2-diphenylethane substituted by additional chloro substituents at positions 4 of the phenyl substituents. It is a commonly used organochlorine insecticide. CAS:50-29-3|Drug_Central:4396|Gmelin:509864|HMDB:HMDB0032127|KEGG:C04623|KEGG:D07367|LINCS:LSM-19015|MetaCyc:CPD-43|PMID:17949680|PMID:24328540|PPDB:3140|Reaxys:1882657|UM-BBD_compID:c0384|Wikipedia:DDT phenio.json 1,1'-(2,2,2-trichloroethylidene)bis[4-chlorobenzene]|1,1,1-Trichloro-2,2-bis(4-chlorophenyl)ethane|1,1,1-Trichloro-2,2-bis-(4'-chlorophenyl)ethane|1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane|1,1-bis(4-chlorophenyl)-2,2,2-trichloroethane|1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene|4,4'-DDT|Clofenotane|DDT|Dichlorodiphenyltrichloroethane|alpha,alpha-bis(p-chlorophenyl)-beta,beta,beta-trichlorethane|clofenotane|dichlorodiphenyltrichloroethane|p,p'-DDT|p,p'-dichlorodiphenyltrichloroethane http://purl.obolibrary.org/obo/CHEBI_16130 3_STAR
CHEBI:16132 biolink:ChemicalSubstance 2-deoxy-D-ribose 5-phosphate The 5-O-phosphono derivative of 2-deoxy-D-ribose. HMDB:HMDB0001031|KEGG:C00673|MetaCyc:DEOXY-RIBOSE-5P|PDBeChem:DRZ|PMID:22770225 phenio.json 2-Deoxy-D-ribose 5-phosphate|2-deoxy-5-O-phosphono-D-erythro-pentose|2-deoxy-D-erythro-pentose 5-(dihydrogen phosphate)|2-deoxy-D-ribose 5-phosphate http://purl.obolibrary.org/obo/CHEBI_16132 3_STAR
CHEBI:16133 biolink:ChemicalSubstance cyclopentanol The simplest member of the class of cyclopentanols bearing a single hydroxy substituent. The parent of the class of cyclopentanols. CAS:96-41-3|KEGG:C02020|MetaCyc:CYCLOPENTANOL|PMID:22145629|PMID:24273356|Reaxys:1900556|Wikipedia:Cyclopentanol phenio.json Cyclopentanol|Cyclopentyl alcohol|Hydroxycyclopentane|cyclopentanol http://purl.obolibrary.org/obo/CHEBI_16133 3_STAR
CHEBI:16134 biolink:ChemicalSubstance ammonia An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. CAS:7664-41-7|Drug_Central:4625|Gmelin:79|HMDB:HMDB0000051|KEGG:C00014|KEGG:D02916|KNApSAcK:C00007267|MetaCyc:AMMONIA|MolBase:930|PDBeChem:NH3|PMID:110589|PMID:11139349|PMID:11540049|PMID:11746427|PMID:11783653|PMID:13753780|PMID:14663195|PMID:15092448|PMID:15094021|PMID:15554424|PMID:15969015|PMID:16008360|PMID:16050680|PMID:16348008|PMID:16349403|PMID:16614889|PMID:16664306|PMID:16842901|PMID:17025297|PMID:17439666|PMID:17569513|PMID:17737668|PMID:18670398|PMID:22002069|PMID:22081570|PMID:22088435|PMID:22100291|PMID:22130175|PMID:22150211|PMID:22240068|PMID:22290316|PMID:22342082|PMID:22385337|PMID:22443779|PMID:22560242|Reaxys:3587154|Wikipedia:Ammonia phenio.json AMMONIA|Ammonia|Ammoniak|NH3|R-717|[NH3]|ammonia|ammoniac|amoniaco|azane|spirit of hartshorn http://purl.obolibrary.org/obo/CHEBI_16134 3_STAR
CHEBI:16135 biolink:ChemicalSubstance isobutyric acid A branched fatty acid comprising propanoic acid carrying a methyl branch at C-2. BPDB:3128|CAS:79-31-2|DrugBank:DB02531|Gmelin:49630|HMDB:HMDB0001873|KEGG:C02632|KNApSAcK:C00029462|LIPID_MAPS_instance:LMFA01020071|MetaCyc:ISOBUTYRATE|PDBeChem:ALQ|PMID:10757489|PMID:17580301|PMID:17877388|PPDB:3128|Reaxys:635770|UM-BBD_compID:c0383|Wikipedia:Isobutyric_acid phenio.json 2,2-dimethylacetic acid|2-METHYL-PROPIONIC ACID|2-Methylpropanoate|2-Methylpropanoic acid|2-Methylpropionsaeure|2-methylpropanoic acid|Dimethylacetic acid|ISOBUTYRIC ACID|Isobutanoate|Isobuttersaeure|Isobutyrate|Isobutyric acid|alpha-isobutyric acid|alpha-methylpropanoic acid|alpha-methylpropionic acid|iso-C3H7COOH|iso-butyric acid|isobutanoic acid|isopropylformic acid http://purl.obolibrary.org/obo/CHEBI_16135 3_STAR
CHEBI:16136 biolink:ChemicalSubstance hydrogen sulfide A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen. Beilstein:3535004|CAS:7783-06-4|Drug_Central:4260|Gmelin:303|KEGG:C00283|KNApSAcK:C00007266|MolBase:1709|PDBeChem:H2S|PMID:11788560|PMID:14654297|PMID:15003943|PMID:15607739|PMID:16446402|PMID:18098324|PMID:18524810|PMID:18948540|PMID:19695225|PMID:22004989|PMID:22378060|PMID:22448627|PMID:22473176|PMID:22486842|PMID:22520971|PMID:22787557|UM-BBD_compID:c0239|Wikipedia:Hydrogen_sulfide phenio.json H2S|HYDROSULFURIC ACID|Hydrogen sulfide|Hydrogen-sulfide|Schwefelwasserstoff|Sulfide|[SH2]|acide sulfhydrique|dihydridosulfur|dihydrogen monosulfide|dihydrogen sulfide|dihydrogen(sulfide)|hydrogen monosulfide|hydrogen sulfide|hydrogen sulphide|hydrogene sulfure|sulfane|sulfure d'hydrogene http://purl.obolibrary.org/obo/CHEBI_16136 3_STAR
CHEBI:16137 biolink:ChemicalSubstance chondroitin D-glucuronate A mucopolysaccharide composed of repeating beta-D-glucopyranuronosyl-(1->3)-beta-D-N-acetylgalactosaminyl units. KEGG:C00401|KEGG:G11334 phenio.json Chondroitin|Chondroitin-D-glucuronate http://purl.obolibrary.org/obo/CHEBI_16137 3_STAR
CHEBI:16138 biolink:ChemicalSubstance 2-deoxy-D-gluconic acid A derivative of D-gluconic acid lacking the 2-hydroxy group. KEGG:C02782 phenio.json 2-Deoxy-D-gluconate|2-deoxy-D-gluconic acid http://purl.obolibrary.org/obo/CHEBI_16138 3_STAR
CHEBI:16141 biolink:ChemicalSubstance undecaprenyl dihydrogen phosphate The all-trans-isomer of undecaprenyl phosphate. CAS:25126-51-6|KEGG:C00348|KNApSAcK:C00019557 phenio.json (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl dihydrogen phosphate|Undecaprenyl phosphate http://purl.obolibrary.org/obo/CHEBI_16141 3_STAR
CHEBI:16142 biolink:ChemicalSubstance 3-dehydro-L-gulonic acid A derivative of L-gulonic acid having a keto group at the 3-position. KEGG:C00618 phenio.json 3-Dehydro-L-gulonate|3-dehydro-L-gulonate|L-xylo-hex-3-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_16142 3_STAR
CHEBI:16143 biolink:ChemicalSubstance 1-guanidino-1-deoxy-scyllo-inositol 4-phosphate A scyllo-inositol phosphate having the phosphate at the 4-position and a guanidino group in place of the hydroxyl at position 1. KEGG:C01294 phenio.json (2R,3S,5R,6S)-4-carbamimidamido-2,3,5,6-tetrahydroxycyclohexyl dihydrogen phosphate|1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate|1-guanidino-1-deoxy-scyllo-inositol 4-phosphate|N-Amidino-scyllo-inosamine 4-phosphate http://purl.obolibrary.org/obo/CHEBI_16143 3_STAR
CHEBI:16144 biolink:ChemicalSubstance selenophosphate A trivalent inorganic anion obtained by removal of all three protons from selenophosphoric acid. phenio.json Selenophosphate|[PO3Se](3-)|selenophosphate|trioxidoselenidophosphate(3-) http://purl.obolibrary.org/obo/CHEBI_16144 3_STAR
CHEBI:16145 biolink:ChemicalSubstance 3,5/4-trihydroxycyclohexane-1,2-dione KEGG:C04287 phenio.json 3,5/4-Trihydroxycyclohexa-1,2-dione|3,5/4-trihydroxycyclohexane-1,2-dione|rel-(3S,4R,5S)-3,4,5-trihydroxycyclohexane-1,2-dione http://purl.obolibrary.org/obo/CHEBI_16145 3_STAR
CHEBI:16146 biolink:ChemicalSubstance maleamate A monocarboxylic acid anion that is the conjugate base of maleamic acid. MetaCyc:MALEAMATE phenio.json (2Z)-4-amino-4-oxobut-2-enoate|maleamate http://purl.obolibrary.org/obo/CHEBI_16146 3_STAR
CHEBI:16148 biolink:ChemicalSubstance heptadecane A straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntia littoralis and Annona squamosa. CAS:629-78-7|HMDB:HMDB0059830|KEGG:C01816|KNApSAcK:C00030472|LIPID_MAPS_instance:LMFA11000003|MetaCyc:HEPTADECANE-CPD|PMID:19296389|PMID:24354326|Reaxys:1738898|Wikipedia:Heptadecane phenio.json CH3-[CH2]15-CH3|Heptadecane|Heptadekan|heptadecane|n-heptadecane http://purl.obolibrary.org/obo/CHEBI_16148 3_STAR
CHEBI:16150 biolink:ChemicalSubstance benzoate The simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1. CAS:766-76-7|Gmelin:2945|HMDB:HMDB0001870|KEGG:C00180|MetaCyc:BENZOATE|Reaxys:1862486|UM-BBD_compID:c0121 phenio.json Benzenecarboxylate|Benzeneformate|Benzenemethanoate|Phenylcarboxylate|Phenylformate|benzoate|benzoate anion|benzoic acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_16150 3_STAR
CHEBI:16151 biolink:ChemicalSubstance 3,4-dihydrocoumarin A chromanone that is the 3,4-dihydro derivative of coumarin. CAS:119-84-6|Gmelin:874678|HMDB:HMDB0036626|KEGG:C02274|MetaCyc:DIHYDROCOUMARIN|PMID:12616288|PMID:16362078|PMID:16769080|Reaxys:4584|UM-BBD_compID:c0397 phenio.json 1,2-benzodihydropyrone|2-chromanone|2-hydroxydihydrocinnamic acid lactone|3,4-Dihydrocoumarin|3,4-dihydro-2H-1-benzopyran-2-one|3,4-dihydro-2H-chromen-2-one|3,4-dihydrocoumarin|Dihydrocoumarin|benzodihydropyrone|chroman-2-one|hydrocoumarin|melilotic acid lactone|melilotic lactone|melilotin|melilotol|o-hydroxydihydrocinnamic acid lactone|o-hydroxyhydrocinnamic acid delta-lactone|oxochroman http://purl.obolibrary.org/obo/CHEBI_16151 3_STAR
CHEBI:16152 biolink:ChemicalSubstance 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate KEGG:C11554 phenio.json 1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4'-bisphosphate)|1-O-(3-sn-phosphatidyl)-1D-myo-inositol 3,4-bis(dihydrogen phosphate)|1-Phosphatidyl-1D-myo-inositol 3,4-bisphosphate|PtsIns(3,4)P2|PtsIns-3,4-P2 http://purl.obolibrary.org/obo/CHEBI_16152 3_STAR
CHEBI:16153 biolink:ChemicalSubstance N-acetyllactosamine A beta-D-galactopyranosyl-(1->4)-N-acetyl-D-glucosamine having beta-configuration at the reducing end anomeric centre. CAS:32181-59-2|GlyGen:G00055MO|GlyTouCan:G00055MO|KEGG:C00611|KEGG:G00246|PMID:11181561|PMID:11429474|PMID:14631106|PMID:14672941|PMID:16966407|PMID:18280060|PMID:18849325|PMID:19443021|PMID:19486884|PMID:21496117|PMID:2457603|PMID:25568069|PMID:26802542|PMID:31537530|PMID:7706263|PMID:8737251|Reaxys:1440779 phenio.json 2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl-beta-D-glucopyranose|Galb1-4GlcNAcb|Galbeta1-4GlcNAcbeta|LacNAc|N-Acetyllactosamine|N-acetyllactosamine|WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2/a4-b1|beta-D-Galactosyl-1,4-N-acetyl-D-glucosamine|beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose|beta-D-glucopyranose, 2-(acetylamino)-2-deoxy-4-O-beta-D-galactopyranosyl- http://purl.obolibrary.org/obo/CHEBI_16153 3_STAR
CHEBI:16154 biolink:ChemicalSubstance L-gulonic acid A gulonic acid formed by oxidising the aldehyde group of L-gulose to a carboxylic acid group. CAS:526-97-6|HMDB:HMDB0003290|KEGG:C00800|PMID:23970495 phenio.json Gulonic acid|L-Gulonic acid|L-gulonic acid http://purl.obolibrary.org/obo/CHEBI_16154 3_STAR
CHEBI:16155 biolink:ChemicalSubstance myo-inositol 1,3,4,6-tetrakisphosphate A myo-inositol tetrakisphosphate having the phosphate groups placed at the 1-, 3-, 4- and 6-positions. Beilstein:6992533|CAS:110298-84-5|KEGG:C04477|PDBeChem:I4P phenio.json 1D-myo-Inositol 1,3,4,6-tetrakisphosphate|D-myo-Inositol 1,3,4,6-tetrakisphosphate|Inositol 1,3,4,6-tetrakisphosphate|Inositol-1,3,4,6-tetrakisphosphate|Inositol-1,3,4,6-tetraphosphate|Ins-1,3,4,6-P4|myo-Inositol-1,3,4,6-tetrakisphosphate|myo-inositol 1,3,4,6-tetrakis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16155 3_STAR
CHEBI:16157 biolink:ChemicalSubstance D-arabinonate Conjugate base of D-arabinonic acid. Beilstein:3589753|KEGG:C00878 phenio.json D-Arabinonate|D-arabinonate http://purl.obolibrary.org/obo/CHEBI_16157 3_STAR
CHEBI:16158 biolink:ChemicalSubstance steroid sulfate A sulfuric ester obtained by the formal condensation of a hydroxy group of any steroid with sulfuric acid. KEGG:C02590 phenio.json Phenolic steroid O-sulfate|Steroid O-sulfate|steroid O-sulfates|steroid sulfates http://purl.obolibrary.org/obo/CHEBI_16158 3_STAR
CHEBI:16159 biolink:ChemicalSubstance sulochrin A benzophenone that is the methyl ester of 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoic acid. CAS:519-57-3|KEGG:C00495|KNApSAcK:C00000572|PMID:10450959|PMID:12195960|PMID:15129726|PMID:19038408|PMID:19452466|PMID:5838081|PMID:5948239|PMID:9592574|PMID:9831326|Reaxys:2170800 phenio.json Sulochrin|methyl 2-(2,6-dihydroxy-4-methylbenzoyl)-5-hydroxy-3-methoxybenzoate http://purl.obolibrary.org/obo/CHEBI_16159 3_STAR
CHEBI:16160 biolink:ChemicalSubstance O-succinyl-L-homoserine The O-succinyl derivative of L-homoserine. CAS:1492-23-5|KEGG:C01118|KNApSAcK:C00019621|MetaCyc:O-SUCCINYL-L-HOMOSERINE|PMID:14607989|PMID:22855027|PMID:2405903|PMID:24291053|Reaxys:1973467 phenio.json (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid|O-Succinyl-L-homoserine|O-Succinylhomoserine|O-succinyl-L-homoserine|O4-Succinyl-L-homoserine http://purl.obolibrary.org/obo/CHEBI_16160 3_STAR
CHEBI:16161 biolink:ChemicalSubstance CoA-disulfide An organic disulfide obtained via oxidative dimerisation of coenzyme A. CAS:31664-36-5|KEGG:C02015|PMID:410791|PMID:7007371|PMID:8324473|PMID:9488707|Reaxys:4872608 phenio.json (CoA)2|CoA disulfide|Coenzyme A disulfide http://purl.obolibrary.org/obo/CHEBI_16161 3_STAR
CHEBI:16162 biolink:ChemicalSubstance o-orsellinate A dihydroxybenzoate that is the conjugate base of o-orsellinic acid. MetaCyc:CPD-47|Reaxys:14405027 phenio.json 2,4-dihydroxy-6-methylbenzoate|orsellinate http://purl.obolibrary.org/obo/CHEBI_16162 3_STAR
CHEBI:16163 biolink:ChemicalSubstance S-carboxymethyl-L-cysteine An L-cysteine thioether that is L-cysteine in which the hydrogen of the thiol group has been replaced by a carboxymethyl group. CAS:638-23-3|Drug_Central:4160|Gmelin:1043764|HMDB:HMDB0029415|KEGG:C03727|KEGG:D00175|MetaCyc:CPD-44|PDBeChem:CCS|PMID:19126298|PMID:22497630|PMID:23728642|Reaxys:1725012|Wikipedia:Carbocisteine phenio.json (2R)-2-amino-3-[(carboxymethyl)sulfanyl]propanoic acid|(L)-2-Amino-3-(carboxymethylthio)propionic acid|(R)-S-(carboxymethyl)cysteine|L-3-((carboxymethyl)thio)alanine|L-Carbocisteine|Mucodyne|S-(carboxymethyl)-(R)-cysteine|S-(carboxymethyl)-L-cysteine|S-Carboxymethyl-L-cysteine|S-carboxymethylcysteine|carbocisteina|carbocisteine|carbocisteinum|carbocysteine http://purl.obolibrary.org/obo/CHEBI_16163 3_STAR
CHEBI:16164 biolink:ChemicalSubstance pyrogallol A benzenetriol carrying hydroxy groups at positions 1, 2 and 3. CAS:87-66-1|HMDB:HMDB0013674|KEGG:C01108|KNApSAcK:C00002670|MetaCyc:PYROGALLOL|PMID:10427737|PMID:18506365|PMID:18760383|PMID:19948158|PMID:24415452|PMID:24458986|Reaxys:907431|UM-BBD_compID:c0025|Wikipedia:Pyrogallol phenio.json 1,2,3-Benzenetriol|1,2,3-Trihydroxybenzene|1,2,3-trihydroxybenzene|Pyrogallic acid|Pyrogallol|benzene-1,2,3-triol http://purl.obolibrary.org/obo/CHEBI_16164 3_STAR
CHEBI:16168 biolink:ChemicalSubstance 6-hydroxynicotinic acid A monohydroxypyridine that is the 6-hydroxy derivative of nicotinic acid. CAS:5006-66-6|Chemspider:65756|FooDB:FDB023041|HMDB:HMDB0002658|KEGG:C01020|KNApSAcK:C00007415|PDBeChem:OA7|PMID:13463004|PMID:14389240|PMID:15759292|PMID:18338586|PMID:21389975|PMID:22770225|PMID:30810301|PMID:31697703|PMID:3926801|PMID:5079068|PMID:5128334|PMID:5128335|PMID:5498533|PMID:5767303|Patent:EP0152948|Patent:EP0152949|Reaxys:115991 phenio.json 6-Hydroxynicotinate|6-Hydroxynicotinic acid|6-hydroxypyridine-3-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_16168 3_STAR
CHEBI:161680 biolink:ChemicalSubstance aztreonam A synthetic monocyclic beta-lactam antibiotic (monobactam), used primarily to treat infections caused by Gram-negative bacteria. It inhibits mucopeptide synthesis in the bacterial cell wall, thereby blocking peptidoglycan crosslinking. Beilstein:3577211|CAS:78110-38-0|DrugBank:DB00355|Drug_Central:279|KEGG:C06840|KEGG:D00240|PDBeChem:AZR|PMID:1384868|PMID:15123864|PMID:24119095|PMID:24176390|PMID:24369293|PMID:25049240|PMID:25091537|PMID:25295210|PMID:28543395|PMID:29017833|Patent:NL8100571|Reaxys:3577211|Wikipedia:Aztreonam phenio.json (2S,3S)-3-{(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-[(2-carboxypropan-2-yloxy)imino]acetamido}-2-methyl-4-oxoazetidine-1-sulfonate|(Z,)-2-((((2-Amino-4-thiazolyl)(((2S,3S,)-2-methyl-4-oxo-1-sulfo-3-azetidinyl)carbamoyl)methylene)amino)oxy)-2-methylpropionic acid|AZT|Azactam|Primbactam|aztreonam|aztreonamum http://purl.obolibrary.org/obo/CHEBI_161680 3_STAR
CHEBI:16169 biolink:ChemicalSubstance homogentisate A dihydroxy monocarboxylic acid anion that is the conjugate base of (2,6-dihydroxyphenyl)acetic (homogentisic) acid, arising from deprotonation of the carboxy group. KEGG:C00544|Reaxys:3668593|UM-BBD_compID:c0108 phenio.json (2,5-dihydroxyphenyl)acetate|homogentisate http://purl.obolibrary.org/obo/CHEBI_16169 3_STAR
CHEBI:1617 biolink:ChemicalSubstance 4-hydroxy-3-octaprenylbenzoate A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 8 prenyl units; major species at pH 7.3. phenio.json 3-Octaprenyl-4-hydroxybenzoate|4-Hydroxy-3-octaprenylbenzoate|4-hydroxy-3-(all-trans-octaprenyl)benzoate|4-hydroxy-3-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl]benzoate http://purl.obolibrary.org/obo/CHEBI_1617 3_STAR
CHEBI:16170 biolink:ChemicalSubstance mercury(0) Elemental mercury of oxidation state zero. CAS:7439-97-6|KEGG:C01319|UM-BBD_compID:c0387|Wikipedia:Mercury_(element) phenio.json Elemental mercury|Hg|Hg(0)|Hgn|Mercury|mercury|mercury(0)|metallic mercury http://purl.obolibrary.org/obo/CHEBI_16170 3_STAR
CHEBI:16171 biolink:ChemicalSubstance NMN zwitterion Beilstein:3570187|CAS:1094-61-7|KEGG:C00455|KNApSAcK:C00019694|PDBeChem:NMN phenio.json 3-(aminocarbonyl)-1-(5-O-phosphonato-beta-D-ribofuranosyl)pyridinium|3-(aminocarbonyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridinium, inner salt|3-carbamoyl-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridinium|NMN|Nicotinamide D-ribonucleotide|Nicotinamide mononucleotide|Nicotinamide nucleotide|Nicotinamide ribonucleotide|beta-Nicotinamide D-ribonucleotide|beta-Nicotinamide mononucleotide|beta-Nicotinamide ribonucleotide http://purl.obolibrary.org/obo/CHEBI_16171 3_STAR
CHEBI:16172 biolink:ChemicalSubstance neryl diphosphate A polyprenol diphosphate having neryl as the polyprenyl component. CAS:16751-02-3|KEGG:C02569|LIPID_MAPS_instance:LMPR0102010002 phenio.json (2Z)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate|Neryl diphosphate|Neryl pyrophosphate http://purl.obolibrary.org/obo/CHEBI_16172 3_STAR
CHEBI:16173 biolink:ChemicalSubstance aldehydo-N-acyl-D-mannosamine 6-phosphate KEGG:C00686 phenio.json N-Acyl-D-mannosamine 6-phosphate|N-acyl-D-mannosamine 6-phosphates http://purl.obolibrary.org/obo/CHEBI_16173 3_STAR
CHEBI:16174 biolink:ChemicalSubstance dADP A purine 2'-deoxyribonucleoside 5'-diphosphate having adenine as the nucleobase. HMDB:HMDB0001508|KEGG:C00206|PDBeChem:DAT|PMID:11947151|PMID:1545776|PMID:23721485|PMID:5316336|PMID:5316337|PMID:5316338|PMID:6980023|Wikipedia:Deoxyadenosine_diphosphate phenio.json 2'-DEOXYADENOSINE-5'-DIPHOSPHATE|2'-Deoxyadenosine 5'-diphosphate|2'-deoxyadenosine 5'-(trihydrogen diphosphate)|2'-deoxyadenosine 5'-diphosphate|dADP|deoxyadenosine diphosphate http://purl.obolibrary.org/obo/CHEBI_16174 3_STAR
CHEBI:16175 biolink:ChemicalSubstance cholest-4-en-3-one A cholestanoid that is cholest-4-ene substituted by an oxo group at position 3. CAS:601-57-0|FooDB:FDB022319|HMDB:HMDB0000921|KEGG:C00599|KNApSAcK:C00036093|LIPID_MAPS_instance:LMST01010015|MetaCyc:CPD-323|PDBeChem:K2B|PMID:10566877|PMID:11958788|PMID:12036855|PMID:12777473|PMID:12943786|PMID:14597406|PMID:17496168|PMID:20671299|PMID:24465993|PMID:24565079|PMID:24927729|PMID:29201491|PMID:29413944|PMID:29573289|PMID:31477154|PMID:6892636 phenio.json 4-Cholesten-3-one|4-cholesten-3-one|Cholest-4-en-3-one|Cholestenone|cholest-4-en-3-one http://purl.obolibrary.org/obo/CHEBI_16175 3_STAR
CHEBI:16176 biolink:ChemicalSubstance D-ornithine The D-enantiomer of ornithine. It is an intermediate metabolite produced in the urea cycle. CAS:348-66-3|Gmelin:431663|HMDB:HMDB0003374|KEGG:C00515|MetaCyc:CPD-217|PDBeChem:ORD|PMID:21525873|PMID:24326351|PMID:24562332|Reaxys:1722297 phenio.json (2R)-2,5-diaminopentanoic acid|(R)-ornithine|D-Ornithine|D-ornithine http://purl.obolibrary.org/obo/CHEBI_16176 3_STAR
CHEBI:16177 biolink:ChemicalSubstance vicianose CAS:14116-69-9|GlyTouCan:G42865BX|KEGG:C01625|KEGG:G00688|KNApSAcK:C00001155 phenio.json 6-O-alpha-L-arabinopyranosyl-D-glucopyranose|O-alpha-L-Arabinopyranosyl-(1-6)-D-glucopyranose|O-alpha-L-Arabinopyranosyl-(1-6)-beta-D-glucopyranose|Vicianose|WURCS=2.0/2,2,1/[a2122h-1x_1-5][a211h-1a_1-5]/1-2/a6-b1|alpha-L-arabinopyranosyl-(1->-6)-beta-D-glucopyranose|vicianose http://purl.obolibrary.org/obo/CHEBI_16177 3_STAR
CHEBI:16179 biolink:ChemicalSubstance retinyl ester A carboxylic ester obtained by formal condensation of the hydroxy group of retinol with the carboxy group of any carboxylic acid. phenio.json Retinyl ester|retinyl ester|retinyl esters http://purl.obolibrary.org/obo/CHEBI_16179 3_STAR
CHEBI:16180 biolink:ChemicalSubstance N-acylglycine An N-acyl-amino acid in which amino acid specified is glycine. KEGG:C02055|MetaCyc:CPD-426 phenio.json N-Acylglycine http://purl.obolibrary.org/obo/CHEBI_16180 3_STAR
CHEBI:16181 biolink:ChemicalSubstance 1-amino-1-deoxy-scyllo-inositol KEGG:C01214 phenio.json (1,3,5/2,4,6)-6-aminocyclohexane-1,2,3,4,5-pentol|(1R,2S,3r,4R,5S,6s)-6-aminocyclohexane-1,2,3,4,5-pentol|1-Amino-1-deoxy-scyllo-inositol|1-amino-1-deoxy-scyllo-inositol|scyllo-Inosamine http://purl.obolibrary.org/obo/CHEBI_16181 3_STAR
CHEBI:16182 biolink:ChemicalSubstance 2-methylbutanal A methylbutanal in which the methyl substituent is at position 2. CAS:96-17-3|HMDB:HMDB0031526|KEGG:C02223|PMID:15667998|PMID:23461409|PMID:24281757|PMID:24295708|PMID:25148982|PMID:25315151|Reaxys:1633540 phenio.json 2-Methylbutanal|2-Methylbutyraldehyde|2-methylbutanal|2-methylbutyraldehyde http://purl.obolibrary.org/obo/CHEBI_16182 3_STAR
CHEBI:16183 biolink:ChemicalSubstance methane A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC). CAS:74-82-8|Gmelin:59|HMDB:HMDB0002714|KEGG:C01438|MetaCyc:CH4|PMID:17791569|PMID:23104415|PMID:23353606|PMID:23376302|PMID:23397538|PMID:23718889|PMID:23739479|PMID:23742231|PMID:23756351|PMID:24132456|PMID:24161402|PMID:24259373|Patent:FR994032|Patent:US2583090|Reaxys:1718732|UM-BBD_compID:c0095|Wikipedia:Methane phenio.json CH4|Methan|Methane|marsh gas|metano|methane|methyl hydride|tetrahydridocarbon http://purl.obolibrary.org/obo/CHEBI_16183 3_STAR
CHEBI:16184 biolink:ChemicalSubstance 7-O-acetylsalutaridinol Beilstein:6826994|KEGG:C05322 phenio.json 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7alpha-yl acetate|7-O-Acetylsalutaridinol|7-O-acetylsalutaridinol|Salutaridinol acetate http://purl.obolibrary.org/obo/CHEBI_16184 3_STAR
CHEBI:16185 biolink:ChemicalSubstance N(5)-acyl-L-ornithine ester phenio.json http://purl.obolibrary.org/obo/CHEBI_16185 1_STAR
CHEBI:16187 biolink:ChemicalSubstance 1-piperideine-2-carboxylate A piperidinecarboxylate that is the conjugate base of 1-piperideine-2-carboxylic acid. MetaCyc:DELTA1-PIPERIDEINE-2-CARBOXYLATE|PMID:11686926|PMID:15561717|PMID:16192274|PMID:1680851|PMID:17259313|PMID:2118517|PMID:2871015|PMID:33924554|PMID:6801013|PMID:7181096 phenio.json 1,2-didehydropipecolate|1,2-didehydropiperidine-2-carboxylate|3,4,5,6-tetrahydropyridine-2-carboxylate|Delta(1)-piperideine-2-carboxylate|delta(1)-piperideine-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_16187 3_STAR
CHEBI:16188 biolink:ChemicalSubstance octan-1-ol An octanol carrying the hydroxy group at position 1. CAS:111-87-5|Gmelin:82528|KEGG:C00756|KNApSAcK:C00001264|PDBeChem:OC9|PMID:19846748|PMID:20954704|PMID:21485271|PMID:24290301|PMID:29881455|PMID:32707169|PMID:33099596|PMID:33531600|PMID:34003632|PMID:35071860|PMID:35779097|PMID:35985434|PMID:36130986|PMID:36171735|Reaxys:1697461|UM-BBD_compID:c0045 phenio.json 1-Octanol|1-Oktanol|1-hydroxyoctane|OCTAN-1-OL|capryl alcohol|caprylic alcohol|n-heptyl carbinol|n-octan-1-ol|octan-1-ol|primary octyl alcohol http://purl.obolibrary.org/obo/CHEBI_16188 3_STAR
CHEBI:16189 biolink:ChemicalSubstance sulfate A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid. CAS:14808-79-8|Gmelin:2120|HMDB:HMDB0001448|KEGG:C00059|KEGG:D05963|MetaCyc:SULFATE|PDBeChem:SO4|PMID:11200094|PMID:11452993|PMID:11581495|PMID:11798107|PMID:12166931|PMID:12668033|PMID:14597181|PMID:15093386|PMID:15984785|PMID:16186560|PMID:16345535|PMID:16347366|PMID:16348007|PMID:16483812|PMID:16534979|PMID:16656509|PMID:16742508|PMID:16742518|PMID:17120760|PMID:17420092|PMID:17439666|PMID:17709180|PMID:18398178|PMID:18815700|PMID:18846414|PMID:19047345|PMID:19244483|PMID:19544990|PMID:19628332|PMID:19812358|PMID:30398859|Reaxys:3648446|Wikipedia:Sulfate phenio.json SO4(2-)|SULFATE ION|Sulfate|Sulfate anion(2-)|Sulfate dianion|Sulfate(2-)|Sulfuric acid ion(2-)|[SO4](2-)|sulfate|sulphate|sulphate ion|tetraoxidosulfate(2-)|tetraoxosulfate(2-)|tetraoxosulfate(VI) http://purl.obolibrary.org/obo/CHEBI_16189 3_STAR
CHEBI:16190 biolink:ChemicalSubstance cis-cyclohexa-3,5-diene-1,2-diol The cis-stereoisomer of cyclohexa-3,5-diene-1,2-diol. Beilstein:2205169|CAS:17793-95-2|Gmelin:200913|KEGG:C04091|Reaxys:2205169|UM-BBD_compID:c0143 phenio.json cis-1,2-Dihydrobenzene-1,2-diol|cis-1,2-dihydrobenzene-1,2-diol|cis-Benzeneglycol|cis-Cyclohexa-3,5-diene-1,2-diol|rel-(1R,2S)-cyclohexa-3,5-diene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_16190 3_STAR
CHEBI:16192 biolink:ChemicalSubstance 2'-deoxyguanosine 5'-monophosphate A purine 2'-deoxyribonucleoside 5'-monophosphate having guanine as the nucleobase. CAS:902-04-5|DrugBank:DB04457|ECMDB:ECMDB01044|HMDB:HMDB0001044|KEGG:C00362|KNApSAcK:C00019356|MetaCyc:DGMP|PDBeChem:DGP|PMID:13610867|PMID:20085298|PMID:21720611|PMID:23365666|PMID:2559771|PMID:9858930|Reaxys:58430|Wikipedia:Deoxyguanosine_monophosphate|YMDB:YMDB00506 phenio.json 2'-Deoxy-GMP|2'-Deoxyguanosine 5'-(dihydrogen phosphate)|2'-Deoxyguanosine 5'-monophosphate|2'-Deoxyguanosine 5'-phosphate|2'-Deoxyguanylic acid|2'-dGMP|2'-deoxy-5'-guanylic acid|2'-deoxyguanosine 5'-monophosphate|Deoxy-GMP|Deoxyguanosine 5'-monophosphate|Deoxyguanosine 5'-phosphate|Deoxyguanosine monophosphate|Deoxyguanylic acid|dGMP http://purl.obolibrary.org/obo/CHEBI_16192 3_STAR
CHEBI:16193 biolink:ChemicalSubstance 3-hydroxybenzoate A monohydroxybenzoate that is the conjugate base of 3-hydroxybenzoic acid. Gmelin:327380|KEGG:C00587|MetaCyc:3-HYDROXYBENZOATE|Reaxys:3904772|UM-BBD_compID:c0187 phenio.json 3-hydroxybenzoate http://purl.obolibrary.org/obo/CHEBI_16193 3_STAR
CHEBI:16196 biolink:ChemicalSubstance oleic acid An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. CAS:112-80-1|DrugBank:DB04224|Drug_Central:3400|ECMDB:ECMDB21348|Gmelin:109551|Gmelin:57556|HMDB:HMDB0000207|KEGG:C00712|KEGG:D02315|KNApSAcK:C00001232|LIPID_MAPS_instance:LMFA01030002|PDBeChem:OLA|PMID:11304127|PMID:15325315|PMID:15723125|PMID:18772370|PMID:19761868|PMID:23844805|PMID:24819471|PMID:25584012|PMID:25794012|PMID:5332408|PMID:6205897|Reaxys:1726542|Wikipedia:Oleic_acid phenio.json (9Z)-Octadecenoic acid|(9Z)-octadec-9-enoic acid|(Z)-Octadec-9-enoic acid|18:1 n-9|18:1Delta9cis|C18:1 n-9|FA 18:1|OLEIC ACID|Octadec-9-enoic acid|Oelsaeure|Oleate|Oleic acid|cis-9-octadecenoic acid|cis-Delta(9)-octadecenoic acid|cis-oleic acid http://purl.obolibrary.org/obo/CHEBI_16196 3_STAR
CHEBI:16197 biolink:ChemicalSubstance N-acylsphingosine 1-phosphate A ceramide phosphate compound having the phosphate group in the 1-position and an unspecified acyl group atached to the nitrogen atom. KEGG:C02960|LIPID_MAPS_instance:LMSP02050000 phenio.json Ceramide 1-phosphate|Ceramide phosphate|N-(acyl)-sphing-4-enine-1-phosphate|N-Acyl ceramide phosphate|ceramide 1-phosphates http://purl.obolibrary.org/obo/CHEBI_16197 3_STAR
CHEBI:16199 biolink:ChemicalSubstance urea A carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O). CAS:57-13-6|DrugBank:DB03904|Drug_Central:4264|ECMDB:ECMDB04172|Gmelin:1378|HMDB:HMDB0000294|KEGG:C00086|KEGG:D00023|KNApSAcK:C00007314|MetaCyc:UREA|PDBeChem:URE|PMID:18037357|PMID:22770225|PPDB:1728|Reaxys:635724|UM-BBD_compID:c0165|Wikipedia:Urea|YMDB:YMDB00003 phenio.json 1728|Carbamide|E927b|H2NC(O)NH2|Harnstoff|Karbamid|UREA|Urea|carbamide|carbonyldiamide|ur|urea|uree http://purl.obolibrary.org/obo/CHEBI_16199 3_STAR
CHEBI:16200 biolink:ChemicalSubstance questin A dihydroxyanthraquinone that is 1,6-dihyroxy-9,10-anthraquinone which is substituted by a methyl group at position 3 and a methoxy group at position 8. Beilstein:2061188|CAS:3774-64-9|KEGG:C01448|KNApSAcK:C00000570 phenio.json 1,6-dihydroxy-3-methyl-8-(methyloxy)anthracene-9,10-dione|1,6-dihydroxy-8-methoxy-3-methyl-9,10-anthraquinone|1,6-dihydroxy-8-methoxy-3-methylanthracene-9,10-dione|3,8-dihydroxy-1-methoxy-6-methylanthracene-9,10-dione|Questin|emodin-8-methyl ether http://purl.obolibrary.org/obo/CHEBI_16200 3_STAR
CHEBI:16204 biolink:ChemicalSubstance phloroglucinol A benzenetriol with hydroxy groups at position 1, 3 and 5. CAS:108-73-6|Drug_Central:2153|HMDB:HMDB0013675|KEGG:C02183|KEGG:D00152|KNApSAcK:C00002665|MetaCyc:CPD-16|PMID:25456733|PMID:25640118|Reaxys:1341907|UM-BBD_compID:c0026|Wikipedia:Phloroglucinol phenio.json 1,3,5-Benzenetriol|1,3,5-Trihydroxybenzene|1,3,5-trihydroxybenzene|Phloroglucinol|benzene-1,3,5-triol|s-Trihydroxybenzene http://purl.obolibrary.org/obo/CHEBI_16204 3_STAR
CHEBI:16205 biolink:ChemicalSubstance biphenyl-2,3-diol A member of the class of hydroxybiphenyls that is 1,1'-biphenyl substituted by hydroxy groups at positions 2 and 3. CAS:1133-63-7|DrugBank:DB02923|KEGG:C02526|MetaCyc:BIPHENYL-23-DIOL|PDBeChem:BPY|PMID:9951522|Reaxys:1869593 phenio.json (1,1'-biphenyl)-2,3-diol|2,3-Dihydroxybiphenyl|2,3-biphenyldiol|3-Phenylcatechol|BIPHENYL-2,3-DIOL|Biphenyl-2,3-diol|[1,1'-biphenyl]-2,3-diol|biphenyl-2,3-diol http://purl.obolibrary.org/obo/CHEBI_16205 3_STAR
CHEBI:16206 biolink:ChemicalSubstance sn-3-O-(geranylgeranyl)glycerol 1-phosphate Beilstein:6156507|KEGG:C04590 phenio.json (2S)-2-hydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yloxy]propyl dihydrogen phosphate|sn-3-O-(Geranylgeranyl)glycerol 1-phosphate http://purl.obolibrary.org/obo/CHEBI_16206 3_STAR
CHEBI:16207 biolink:ChemicalSubstance 3-hydroxybenzaldehyde A hydroxybenzaldehyde carrying a hydroxy substituent at position 3. CAS:100-83-4|Gmelin:602042|KEGG:C03067|PMID:24122667|Reaxys:507099|UM-BBD_compID:c0055|Wikipedia:3-Hydroxybenzaldehyde phenio.json 3-Hydroxybenzaldehyde|3-formylphenol|3-hydroxybenzaldehyde|m-formylphenol|m-hydroxybenzaldehyde|meta-hydroxybenzaldehyde http://purl.obolibrary.org/obo/CHEBI_16207 3_STAR
CHEBI:16208 biolink:ChemicalSubstance 3-mercaptopyruvic acid A 2-oxo monocarboxylic acid that is pyruvic acid substituted by a sulfanyl group at position 3. CAS:2464-23-5|ECMDB:ECMDB01368|HMDB:HMDB0001368|KEGG:C00957|KNApSAcK:C00007464|MetaCyc:3-MERCAPTO-PYRUVATE|PMID:7054184|Reaxys:1747058|Wikipedia:3-Mercaptopyruvic_acid phenio.json 2-oxo-3-sulfanylpropanoic acid|3-Mercaptopyruvate|3-Mercaptopyruvic acid|3-mercapto-2-oxopropanoic acid|Mercaptopyruvate http://purl.obolibrary.org/obo/CHEBI_16208 3_STAR
CHEBI:16209 biolink:ChemicalSubstance hypotaurocyamine Beilstein:2355606|KEGG:C02419 phenio.json 2-(carbamimidamido)ethanesulfinic acid|2-guanidinoethanesulfinic acid|Hypotaurocyamine http://purl.obolibrary.org/obo/CHEBI_16209 3_STAR
CHEBI:16210 biolink:ChemicalSubstance sinapoyltartronic acid The ester obtained from formal condensation of sinapic acid and hydroxymalonic acid. KEGG:C02750 phenio.json Sinapoyltartronate|[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]propanedioic acid|trans-sinapoyltartronate|{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}malonic acid http://purl.obolibrary.org/obo/CHEBI_16210 3_STAR
CHEBI:16211 biolink:ChemicalSubstance cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide The 2-chloro derivative of cis-4-carboxymethylenebut-2-en-1,4-olide. Beilstein:1366698|CAS:115793-61-8|KEGG:C04706|UM-BBD_compID:c0293 phenio.json (2E)-[4-chloro-5-oxofuran-2(5H)-ylidene]acetic acid|cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide|cis-2-Chlorodienelactone http://purl.obolibrary.org/obo/CHEBI_16211 3_STAR
CHEBI:16213 biolink:ChemicalSubstance coformycin An N-glycosyl in which (8R)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol is attached to ribofuranose via a beta-N(3)-glycosidic bond. compound The parent of the class of coformycins. CAS:11033-22-0|KEGG:C01677|MetaCyc:COFORMYCIN|PMID:11913523|PMID:14630012|PMID:6860359|PMID:7204504|Reaxys:5609987 phenio.json (8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol|(R)-3,4,7,8-Tetrahydro-3-beta-D-ribofuranosylimidazo(4,5-d)(1,3)diazepin-8-ol|Coformycin http://purl.obolibrary.org/obo/CHEBI_16213 3_STAR
CHEBI:16214 biolink:ChemicalSubstance dolichyl phosphate CAS:12698-55-4|KEGG:C00110|KEGG:G10622 phenio.json Dolichol phosphate|Dolicholmonophosphate|Dolichyl monophosphate|Dolichyl phosphate|alpha-[2-methyl-4-(phosphonooxy)butyl]-omega-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]poly[(2Z)-2-methylbut-2-ene-1,4-diyl]|dolichol monophosphate http://purl.obolibrary.org/obo/CHEBI_16214 3_STAR
CHEBI:16215 biolink:ChemicalSubstance phosphonate(2-) A divalent inorganic anion obtained by removal of both protons from phosphonic acid Gmelin:1618|KEGG:C06701|MetaCyc:PHOSPHONATE|PDBeChem:2PO phenio.json PHO3(2-)|PHOSPHONATE|Phosphonate|[PHO3](2-)|hydridotrioxidophosphate(2-)|hydridotrioxophosphate(2-)|phosphonate http://purl.obolibrary.org/obo/CHEBI_16215 3_STAR
CHEBI:16216 biolink:ChemicalSubstance 3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid A dicarboxylic acid that is succinic acid substituted at position 2 by an acetamidomethylidene group and at position 3 by a hydroxymethyl group. KEGG:C04690 phenio.json 2-(Acetamidomethylene)-3-(hydroxymethyl)succinate|2-(Hydroxymethyl)-3-(acetamidomethylene)succinate|2-(acetamidomethylidene)-3-(hydroxymethyl)butanedioic acid http://purl.obolibrary.org/obo/CHEBI_16216 3_STAR
CHEBI:16217 biolink:ChemicalSubstance D-glucono-1,5-lactone An aldono-1,5-lactone obtained from D-gluconic acid. CAS:90-80-2|DrugBank:DB04564|Drug_Central:5144|Gmelin:50890|HMDB:HMDB0000150|KEGG:C00198|KEGG:D04332|PDBeChem:LGC|PMID:23349779|PMID:24392858|Reaxys:83286|Wikipedia:Gluconolactone phenio.json (3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-one|(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one|1,5-D-gluconolactone|1,5-Gluconolactone|D-Aldonolactone|D-Glucono-1,5-lactone|D-Gluconolactone|D-gluconic acid delta-lactone|D-gluconic acid lactone|D-glucono-1,5-lactone|D-threo-Aldono-1,5-lactone|Glucarolactone|Gluconic acid lactone|Gluconic lactone|Gluconolactone|delta-D-gluconolactone|delta-Gluconolactone|gluconic delta-lactone http://purl.obolibrary.org/obo/CHEBI_16217 3_STAR
CHEBI:16218 biolink:ChemicalSubstance beta-D-glucose 1-phosphate The beta-anomer of D-glucose 1-phosphate. Beilstein:87850|KEGG:C00663|MetaCyc:CPD-448|Reaxys:87850|Wikipedia:Glucose-1-phosphate phenio.json 1-O-phosphono-beta-D-glucopyranose|1-phospho-beta-D-glucopyranose|beta-D-Glucose 1-phosphate|beta-D-glucopyranose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16218 3_STAR
CHEBI:16219 biolink:ChemicalSubstance cucurbitacin Any one of a class of tetracyclic triterpenoids, formally derived from the triterpene hydrocarbon cucurbitane, developed by some plants (especially those of the family Cucurbitaceaeas) as a defence mechanism against herbivores. Wikipedia:Cucurbitacin phenio.json cucurbitacins http://purl.obolibrary.org/obo/CHEBI_16219 3_STAR
CHEBI:16220 biolink:ChemicalSubstance coniferin A monosaccharide derivative that is coniferol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. CAS:531-29-3|HMDB:HMDB0013682|KEGG:C00761|KNApSAcK:C00002727|MetaCyc:CPD-1777|PMID:22689568|PMID:24490565|Reaxys:1296933|Wikipedia:Coniferin phenio.json 4-(3-hydroxyprop-1-en-1-yl)-2-methoxyphenyl beta-D-glucopyranoside|4-O-(beta-D-glucosyl)-(E)-coniferol|Coniferin|Coniferyl alcohol beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_16220 3_STAR
CHEBI:16221 biolink:ChemicalSubstance sn-glycerol 1-phosphate An optically active glycerol 1-phosphate having (S)-configuration. CAS:5746-57-6|KEGG:C00623|MetaCyc:SN-GLYCEROL-1-PHOSPHATE|PDBeChem:1GP|PMID:15066037|PMID:16428851|PMID:8586635|Reaxys:1723976 phenio.json (2S)-2,3-dihydroxypropyl dihydrogen phosphate|D-(glycerol 3-phosphate)|L-(glycerol 1-phosphate)|L-Glycerol 1-phosphate|SN-GLYCEROL-1-PHOSPHATE|sn-Glycerol 1-phosphate|sn-Gro-1-P|sn-glycerol 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16221 3_STAR
CHEBI:16222 biolink:ChemicalSubstance D-galacto-hexodialdose Beilstein:2440950|KEGG:C03269 phenio.json D-galacto-Hexodialdose|D-galacto-hexodialdose http://purl.obolibrary.org/obo/CHEBI_16222 3_STAR
CHEBI:16223 biolink:ChemicalSubstance dimethylarsinate The arsenic oxoanion that is the conjugate base of dimethylarsinic acid. KEGG:C07308|PDBeChem:CAC|PMID:19657532|PMID:21093857|UM-BBD_compID:c0753 phenio.json CACODYLATE ION|DMA|Dimethylarsinate|Kakodylat|Me2AsO2(-)|[As(CH3)2O2](-)|dimethylarsinate http://purl.obolibrary.org/obo/CHEBI_16223 3_STAR
CHEBI:162247 biolink:ChemicalSubstance 2-cis,6-trans-farnesyl diphosphate(3-) Trianion of 2-cis,6-trans-farnesyl diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. Beilstein:12225173 phenio.json (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl diphosphate|(2Z,6E)-farnesyl diphosphate|2-cis,6-trans-farnesyl diphosphate trianion http://purl.obolibrary.org/obo/CHEBI_162247 3_STAR
CHEBI:16225 biolink:ChemicalSubstance S-formylglutathione A S-acylglutathione in which the acyl group specified is formyl. CAS:50409-81-9|ECMDB:ECMDB01550|HMDB:HMDB0001550|KEGG:C01031|MetaCyc:CPD-548|PMID:22937752|PMID:23274177|PMID:2806555|Reaxys:2170960|UM-BBD_compID:c0270|YMDB:YMDB00320 phenio.json L-gamma-glutamyl-S-formyl-L-cysteinylglycine|N-(S-(formyl-N-L-gamma-glutamyl)-L-cysteinyl)glycine|S-Formylglutathione http://purl.obolibrary.org/obo/CHEBI_16225 3_STAR
CHEBI:16226 biolink:ChemicalSubstance limonin AGR:IND44319571|CAS:1180-71-8|KEGG:C03514|KEGG:C16717|KEGG:D00173|KNApSAcK:C00003719|PMID:19782062|PMID:21338095|PMID:22907263|PMID:22999474|Wikipedia:Limonin phenio.json (4aS,6aR,8aR,8bR,9aS,12R,12aS,14aR,14bR)-12-(3-furyl)-6,6,8a,12a-tetramethyldecahydro-3H-oxireno[d]pyrano[4',3':3,3a][2]benzofuro[5,4-f]isochromene-3,8,10(6H,9aH)-trione|7,16-Dioxo-7,16-dideoxylimondiol|Citrolimonin|Dictamnolactone|Evodia fruit|Evodin|Limonin|Limonoate D-ring-lactone|Limonoic acid, di-delta-lactone|Obaculactone|limonin|limonoic acid 3,19:16,17-dilactone http://purl.obolibrary.org/obo/CHEBI_16226 3_STAR
CHEBI:16227 biolink:ChemicalSubstance pyridine An azaarene comprising a benzene core in which one -CH group is replaced by a nitrogen atom. It is the parent compound of the class pyridines. CAS:110-86-1|Gmelin:1996|HMDB:HMDB0000926|KEGG:C00747|PDBeChem:0PY|PMID:24364496|PMID:24425539|PMID:8070089|Reaxys:103233|Wikipedia:Pyridine phenio.json Azabenzene|Pyridine|py|pyridine http://purl.obolibrary.org/obo/CHEBI_16227 3_STAR
CHEBI:16228 biolink:ChemicalSubstance 2,2-dialkylglycine A non-proteinogenic alpha-amino acid that is glycine substituted by two alkyl groups at position 2. KEGG:C02623 phenio.json 2,2-Dialkylglycine|2,2-dialkylglycines http://purl.obolibrary.org/obo/CHEBI_16228 3_STAR
CHEBI:16229 biolink:ChemicalSubstance 3beta-hydroxy-5beta-pregnan-20-one The 3beta-stereoisomer of 3-hydroxy-5beta-pregnan-20-one. CAS:128-21-2|HMDB:HMDB0001471|KEGG:C11825|LIPID_MAPS_instance:LMST02030185|PMID:1265794|PMID:17583491|PMID:347637|Reaxys:3035289 phenio.json (3beta,5beta)-3-hydroxypregnan-20-one|3beta-Hydroxy-5beta-pregnane-20-one|3beta-hydroxy-5beta-pregnan-20-one|3beta-hydroxy-5beta-pregnane-20-one|3beta-hydroxy-5beta-tetrahydroprogesterone|epipregnanolone http://purl.obolibrary.org/obo/CHEBI_16229 3_STAR
CHEBI:16230 biolink:ChemicalSubstance 5-hydroxypentanoate A hydroxy monocarboxylic acid anion that is the conjugate base of 5-hydroxypentanoic acid. KEGG:C02804|Reaxys:3661453 phenio.json 5-Hydroxypentanoate|5-hydroxypentanoate|5-hydroxyvalerate http://purl.obolibrary.org/obo/CHEBI_16230 3_STAR
CHEBI:16231 biolink:ChemicalSubstance cis-4-hydroxy-D-proline A 4-hydroxy-D-proline in which the hydroxy group at position 4 has R-configuration. CAS:2584-71-6|Chemspider:389028|HMDB:HMDB0060460|KEGG:C03440|PDBeChem:UYA|PMID:22770225|PMID:22804907|PMID:25678137|PMID:26833407|PMID:29191113|PMID:33333077|PMID:5082949|Reaxys:81439 phenio.json (2R,4R)-4-hydroxypyrrolidine-2-carboxylic acid|(4R)-4-hydroxy-D-proline|cis-4-hydroxy-D-proline http://purl.obolibrary.org/obo/CHEBI_16231 3_STAR
CHEBI:16232 biolink:ChemicalSubstance N(6)-acyl-L-lysine Any N-acyl-L-alpha-amino acid that is L-lysine in which the N(6) amino group has been acylated. KEGG:C02444 phenio.json N(6)-acyl-L-lysines|N6-Acyl-L-lysine http://purl.obolibrary.org/obo/CHEBI_16232 3_STAR
CHEBI:16233 biolink:ChemicalSubstance (S)-cheilanthifoline CAS:483-44-3|KEGG:C05174|KNApSAcK:C00026087 phenio.json (6aS)-6,6a,11,14-Tetrahydro-8-methoxy-12H-benzo[a]-1,3-benzodioxolo[4,5-g]quinolizim-9-ol|(6aS)-6,6a,11,14-tetrahydro-8-methoxy-12H-benzo[a]-1,3-benzodioxolo[4,5-g]quinolizim-9-ol|(6aS)-9-methoxy-6,11,12,14-tetrahydro-2H,6aH-[1,3]dioxolo[4,5-h]isoquino[2,1-b]isoquinolin-8-ol|(S)-Cheilanthifoline|(S)-cheilanthifoline http://purl.obolibrary.org/obo/CHEBI_16233 3_STAR
CHEBI:16234 biolink:ChemicalSubstance hydroxide CAS:14280-30-9|Gmelin:24714|KEGG:C01328|PDBeChem:OH phenio.json HO-|HYDROXIDE ION|Hydroxide ion|OH(-)|OH-|hydridooxygenate(1-)|hydroxide|oxidanide http://purl.obolibrary.org/obo/CHEBI_16234 3_STAR
CHEBI:16235 biolink:ChemicalSubstance guanine A 2-aminopurine carrying a 6-oxo substituent. CAS:73-40-5|DrugBank:DB02377|Gmelin:431879|HMDB:HMDB0000132|KEGG:C00242|KNApSAcK:C00001501|MetaCyc:GUANINE|PDBeChem:GUN|PMID:22770225|PMID:8070089|Reaxys:147911|Wikipedia:Guanine phenio.json 2-Amino-6-hydroxypurine|2-amino-1,9-dihydro-6H-purin-6-one|2-amino-6-oxopurine|G|GUANINE|Gua|Guanine|guanine http://purl.obolibrary.org/obo/CHEBI_16235 3_STAR
CHEBI:16236 biolink:ChemicalSubstance ethanol A primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group. CAS:64-17-5|DrugBank:DB00898|Drug_Central:1076|Gmelin:787|HMDB:HMDB0000108|KEGG:C00469|KEGG:D00068|KEGG:D06542|KNApSAcK:C00019560|MetaCyc:ETOH|MolBase:858|MolBase:859|PDBeChem:EOH|PMID:11046114|PMID:11090978|PMID:11198720|PMID:11200745|PMID:11262320|PMID:11303910|PMID:11333032|PMID:11505026|PMID:11590970|PMID:11728426|PMID:11750186|PMID:11754521|PMID:11810019|PMID:11826039|PMID:11981228|PMID:12824058|PMID:12829422|PMID:12888778|PMID:12946583|PMID:14674846|PMID:15019421|PMID:15239123|PMID:15285839|PMID:15464411|PMID:15465973|PMID:15749123|PMID:15900217|PMID:15902919|PMID:16084479|PMID:16133132|PMID:16352430|PMID:16390872|PMID:16737463|PMID:16891664|PMID:16934862|PMID:17043811|PMID:17190852|PMID:17663926|PMID:17687877|PMID:18095657|PMID:18249266|PMID:18320157|PMID:18347649|PMID:18408978|PMID:18411066|PMID:18456322|PMID:18513832|PMID:18922656|PMID:18925476|PMID:19280886|PMID:19359288|PMID:19384566|PMID:19458312|PMID:19851413|PMID:19901811|PMID:21600756|PMID:21762181|PMID:21881875|PMID:21967628|PMID:22019193|PMID:22222864|PMID:22261437|PMID:22286266|PMID:22306018|PMID:22331491|PMID:22336593|PPDB:1373|Reaxys:1718733|UM-BBD_compID:c0038|Wikipedia:Ethanol phenio.json 1-hydroxyethane|Aethanol|Aethylalkohol|Alkohol|C2H5OH|Dehydrated ethanol|ETHANOL|EtOH|Ethanol|Ethyl alcohol|Methylcarbinol|[CH2Me(OH)]|[OEtH]|alcohol|alcohol etilico|alcool ethylique|etanol|ethanol|hydroxyethane|spiritus vini http://purl.obolibrary.org/obo/CHEBI_16236 3_STAR
CHEBI:16237 biolink:ChemicalSubstance 4-chlorophenylacetate A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 4-chlorophenylacetic acid. KEGG:C03077|MetaCyc:CPD-1786|Reaxys:3665314|UM-BBD_compID:c0385 phenio.json (4-chlorophenyl)acetate|4-chlorophenylacetate http://purl.obolibrary.org/obo/CHEBI_16237 3_STAR
CHEBI:16238 biolink:ChemicalSubstance FAD A flavin adenine dinucleotide in which the substituent at position 10 of the flavin nucleus is a 5'-adenosyldiphosphoribityl group. Beilstein:1208946|CAS:146-14-5|COMe:MOL000039|DrugBank:DB03147|Gmelin:108834|KEGG:C00016|KEGG:D00005|KNApSAcK:C00001500|PDBeChem:FAD|PMID:24643482|PMID:25108762 phenio.json Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine|FAD|FLAVIN-ADENINE DINUCLEOTIDE|Flavin adenine dinucleotide|Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine|Riboflavin 5'-adenosine diphosphate|adenosine 5'-(3-{D-ribo-5-[7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl} dihydrogen diphosphate)|adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16238 3_STAR
CHEBI:16239 biolink:ChemicalSubstance benzyl (2R,3S)-3-hydroxy-2-methylbutanoate The (2R,3S)-stereoisomer of benzyl 2-methyl-3-hydroxybutanoate. KEGG:C04561 phenio.json Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate|benzyl (2R,3S)-2-methyl-3-hydroxybutanoate|benzyl (2R,3S)-3-hydroxy-2-methylbutanoate http://purl.obolibrary.org/obo/CHEBI_16239 3_STAR
CHEBI:1624 biolink:ChemicalSubstance 3-oxo-5beta-steroid Any 3-oxo steroid that has beta- configuration at position 5. KEGG:C02797|MetaCyc:3-Oxo-5-Beta-Steroids phenio.json 3-oxo-5beta steroid|3-oxo-5beta steroids|3-oxo-5beta- steroid|3-oxo-5beta- steroids|3-oxo-5beta-steroids|a 3-oxo-5beta-steroid http://purl.obolibrary.org/obo/CHEBI_1624 3_STAR
CHEBI:16240 biolink:ChemicalSubstance hydrogen peroxide An inorganic peroxide consisting of two hydroxy groups joined by a covalent oxygen-oxygen single bond. CAS:7722-84-1|Drug_Central:3281|Gmelin:509|HMDB:HMDB0003125|KEGG:C00027|KEGG:D00008|MetaCyc:HYDROGEN-PEROXIDE|MolBase:932|PDBeChem:PEO|PMID:10455187|PMID:10557015|PMID:10849784|PMID:11033421|PMID:11105916|PMID:11318558|PMID:11387393|PMID:11809417|PMID:11864786|PMID:11893576|PMID:12867293|PMID:12934880|PMID:14679422|PMID:15028418|PMID:15133946|PMID:15298493|PMID:16337875|PMID:16463018|PMID:16864869|PMID:17020896|PMID:17179007|PMID:17610934|PMID:17948137|PMID:18179203|PMID:18182702|PMID:18306736|PMID:18443210|PMID:18592736|PMID:19107210|PMID:19229032|PMID:19297450|PMID:19509065|PMID:26352695|PMID:26365231|PMID:7548021|PMID:7581816|PMID:8048546|PMID:8375042|PMID:8451754|PMID:9051670|PMID:9100841|PMID:9168257|PMID:9202721|PMID:9558114|PPDB:387|Reaxys:3587191|Wikipedia:Hydrogen_peroxide phenio.json H2O2|HOOH|HYDROGEN PEROXIDE|Hydrogen peroxide|Oxydol|[OH(OH)]|bis(hydridooxygen)(O--O)|dihydrogen dioxide|dihydrogen peroxide|dihydrogen(peroxide)|dioxidane|hydrogen peroxide|perhydrol http://purl.obolibrary.org/obo/CHEBI_16240 3_STAR
CHEBI:16241 biolink:ChemicalSubstance aldehydo-D-arabinose 5-phosphate The 5-phospho derivative of D-arabinose. It is an intermediate in the synthesis of lipopolysaccharides. CAS:13137-52-5|KEGG:C01112|MetaCyc:ARABINOSE-5P|PMID:12805358|PMID:21438567|PMID:6541043|Reaxys:1728060 phenio.json 5-O-phosphono-D-arabinose|D-A-5-P|D-Arabinose 5-phosphate|D-arabinose 5-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16241 3_STAR
CHEBI:16243 biolink:ChemicalSubstance quercetin A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. CAS:117-39-5|DrugBank:DB04216|Drug_Central:3514|FooDB:FDB011904|Gmelin:579210|HMDB:HMDB0005794|KEGG:C00389|KNApSAcK:C00004631|LINCS:LSM-4199|LIPID_MAPS_instance:LMPK12110004|MetaCyc:CPD-520|PDBeChem:QUE|PMID:16226777|PMID:17015250|PMID:17135030|PMID:17426744|PMID:18096136|PMID:18484521|PMID:18549926|PMID:18564899|PMID:18579649|PMID:18785622|PMID:19043800|PMID:19461927|PMID:22920589|PMID:23342112|PMID:23359794|PMID:27565033|PMID:27589790|PMID:27591927|PMID:27704720|Patent:KR20120121684|Patent:US2013012577|Reaxys:317313|Wikipedia:Quercetin phenio.json 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one|3,3',4',5,7-pentahydroxyflavone|3,5,7,3',4'-PENTAHYDROXYFLAVONE|3,5,7,3',4'-Pentahydroxyflavone|Quercetin|sophoretin|xanthaurine http://purl.obolibrary.org/obo/CHEBI_16243 3_STAR
CHEBI:16244 biolink:ChemicalSubstance 4-(trimethylammonio)butanoate An amino-acid betaine gamma-aminobutyric acid zwitterion in which all of the hydrogens attached to the nitrogen are replaced by methyl groups. CAS:407-64-7|ECMDB:ECMDB21336|HMDB:HMDB0006831|MetaCyc:GAMMA-BUTYROBETAINE|PMID:3148329|PMID:398096|Reaxys:3538300 phenio.json 3-Dehydroxycarnitine|4-(N-trimethylamino)butyrate|4-(trimethylamino)butanoate|4-(trimethylammonio)butanoate|4-butyrobetaine|Actinine|butyrobetaine|deoxycarnitine|gamma-Butyrobetain|gamma-butyrobetaine http://purl.obolibrary.org/obo/CHEBI_16244 3_STAR
CHEBI:16246 biolink:ChemicalSubstance D-ribitol 5-phosphate The 5-phospho derivative of D-ribitol. KEGG:C01068|PDBeChem:R5P|PMID:25108762 phenio.json 5-O-phosphono-D-ribitol|D-Ribitol 5-phosphate|D-ribitol 5-(dihydrogen phosphate)|L-Ribitol 1-phosphate|Rbt-5-P|Ribitol 5-phosphate http://purl.obolibrary.org/obo/CHEBI_16246 3_STAR
CHEBI:16247 biolink:ChemicalSubstance phospholipid A lipid containing phosphoric acid as a mono- or di-ester. The term encompasses phosphatidic acids and phosphoglycerides. KEGG:C00865 phenio.json Phospholipid|a phospholipid derivative|phospholipids http://purl.obolibrary.org/obo/CHEBI_16247 3_STAR
CHEBI:16249 biolink:ChemicalSubstance protein disulfide KEGG:C02582 phenio.json Protein disulfide|protein disulfides http://purl.obolibrary.org/obo/CHEBI_16249 3_STAR
CHEBI:16251 biolink:ChemicalSubstance deaminohydroxyblasticidin S KEGG:C03860|PDBeChem:BLO phenio.json 1-{4-[3-amino-5-(N-methylcarbamimidamido)pentanamido]-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl}pyrimidine-2,4(1H,3H)-dione|Deaminohydroxyblasticidin S|Desaminohydroxyblasticidin-S http://purl.obolibrary.org/obo/CHEBI_16251 3_STAR
CHEBI:16252 biolink:ChemicalSubstance 6-methoxymellein An isochromane that is mellein bearing a methoxy substituent at position 6. CAS:6803-02-7|PMID:10552637|PMID:12797757|PMID:7730162|PMID:9630860|Reaxys:169582 phenio.json 2,4-Dihydro-8-hydroxy-6-methoxy-3-methyl-1H-2-benzopyran-1-one|3,4-dihydro-8-hydroxy-6-methoxy-3-methylisocoumarin|3-methyl-6-methoxy-8-hydroxy-3,4-dihydroisocoumarin|6-Methoxy-8-hydroxy-3-methyl-3,4-dihydroisocoumarin|6-Mhmd-isocoumarin|6-methoxymellein|8-hydroxy-6-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one|8-hydroxy-6-methoxy-3-methylisochroman-1-one http://purl.obolibrary.org/obo/CHEBI_16252 3_STAR
CHEBI:16253 biolink:ChemicalSubstance 2-(acetamidomethylidene)succinic acid A dicarboxylic acid that is succinic acid substituted by a acetamidomethylidene group at position 2. KEGG:C01215|Reaxys:2102480 phenio.json 2-(Acetamidomethylene)succinate|2-(acetamidomethylidene)butanedioic acid http://purl.obolibrary.org/obo/CHEBI_16253 3_STAR
CHEBI:16254 biolink:ChemicalSubstance 11-cis-retinyl palmitate The 11-cis-isomer of retinyl palmitate. HMDB:HMDB0060338|KEGG:C03455|LIPID_MAPS_instance:LMPR01090052|PMID:3793734|PMID:3875178 phenio.json (2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate|11-cis-Retinyl palmitate|11-cis-retinyl hexadecanoate|11-cis-retinyl palmitate http://purl.obolibrary.org/obo/CHEBI_16254 3_STAR
CHEBI:16255 biolink:ChemicalSubstance L-histidinol An amino alcohol that is propanol substituted by 1H-imidazol-4-yl group at position 3 and an amino group at position 2 (the 2S stereoisomer). CAS:4836-52-6|DrugBank:DB03811|HMDB:HMDB0003431|KEGG:C00860|KNApSAcK:C00007479|MetaCyc:HISTIDINOL|PMID:1617631|PMID:1768057|PMID:21573440|PMID:2292205|PMID:2405251|PMID:7042909|PMID:8297120|PMID:885850|PMID:9042234|PMID:9778369|Reaxys:81955 phenio.json (2S)-2-amino-3-(1H-imidazol-4-yl)propan-1-ol|4-[(S)-2-amino-3-hydroxypropyl]imidazole|L-Histidinol http://purl.obolibrary.org/obo/CHEBI_16255 3_STAR
CHEBI:16256 biolink:ChemicalSubstance 2-methyl-3-oxopropanoic acid The 2-methyl-3-oxo derivative of propanoic acid. KEGG:C00349 phenio.json 2-Methyl-3-oxopropanoate|2-methyl-3-oxopropanoic acid|3-Oxo-2-methylpropanoate|3-oxo-2-methylpropanoate|Methylmalonate semialdehyde http://purl.obolibrary.org/obo/CHEBI_16256 3_STAR
CHEBI:16257 biolink:ChemicalSubstance 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid KEGG:C01269|KNApSAcK:C00007627|PDBeChem:EPS|PMID:17586643 phenio.json (3R,4S,5R)-5-(1-carboxyethenyloxy)-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid|5-O-(1-Carboxyvinyl)-3-phosphoshikimate|5-O-(1-carboxyvinyl)-3-phosphoshikimate|O5-(1-Carboxyvinyl)-3-phosphoshikimate|O5-(1-carboxyvinyl)-3-phosphoshikimate http://purl.obolibrary.org/obo/CHEBI_16257 3_STAR
CHEBI:16259 biolink:ChemicalSubstance N-acetyl-L-phenylalanine The N-acetyl derivative of L-phenylalanine. CAS:2018-61-3|HMDB:HMDB0000512|KEGG:C03519|MetaCyc:CPD-439|PMID:22770225|Reaxys:2213853 phenio.json (2S)-2-(acetylamino)-3-phenylpropanoic acid|Acetyl-L-phenylalanine|Acetylphenylalanine|L-N-Acetylphenylalanine|N-Acetyl-L-phenylalanine|N-Acetylphenylalanine|N-acetyl-L-phenylalanine http://purl.obolibrary.org/obo/CHEBI_16259 3_STAR
CHEBI:16260 biolink:ChemicalSubstance 2-nitrophenol A member of the class of 2-nitrophenols that is phenol in which one of the hydrogens that is ortho to the hydroxy group has been replaced by a nitro group. CAS:88-75-5|Gmelin:101867|KEGG:C01988|MetaCyc:CPD-258|PMID:23796307|PMID:24347320|Reaxys:775403 phenio.json 2-Nitrophenol|2-hydroxynitrobenzene|2-nitrophenol|o-hydroxynitrobenzene|o-nitrophenol http://purl.obolibrary.org/obo/CHEBI_16260 3_STAR
CHEBI:16261 biolink:ChemicalSubstance chitosan An aminoglycan consisting of beta-(1->4)-linked D-glucosamine residues. CAS:9012-76-4|DrugBank:DB14155|FooDB:FDB015634|HMDB:HMDB0003404|KEGG:C00734|KEGG:G10536|MetaCyc:Chitosan|PMID:33208634|PMID:34885715|PMID:36076877|PMID:36191784|PMID:36315326|PMID:36362923|PMID:36431043|PMID:36437390|PMID:36449553|PMID:36501559|PMID:36547302|PMID:36547931|Pesticides:chitosan|Wikipedia:Chitosan phenio.json (1->4)-2-amino-2-deoxy-beta-D-glucan|Chitosan|Deacetylchitin|[4)-beta-D-GlcpN(1->]n|beta-1,4-Poly-D-glucosamine|poliglusam http://purl.obolibrary.org/obo/CHEBI_16261 3_STAR
CHEBI:16264 biolink:ChemicalSubstance UDP-N-acetyl-alpha-D-glucosamine A UDP-amino sugar having N-acetyl-alpha-D-glucosamine as the amino sugar component. CAS:528-04-1|HMDB:HMDB0000290|KEGG:C00043|KEGG:G10610|KNApSAcK:C00019358|PDBeChem:UD1|PMID:21627825|PMID:22825354|PMID:22887999|PMID:22901411|Reaxys:78982 phenio.json (2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)|UDP-GlcNAc|UDP-N-acetyl-D-glucosamine|UDP-N-acetylglucosamine|URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE|uridine 5'-[3-(2-acetamido-2-deoxy-alpha-D-glucopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16264 3_STAR
CHEBI:16265 biolink:ChemicalSubstance succinic semialdehyde Beilstein:1745187|CAS:692-29-5|KEGG:C00232|KNApSAcK:C00019682|UM-BBD_compID:c0311 phenio.json 3-formylpropanoic acid|3-formylpropionic acid|4-Oxobutanoate|4-oxobutanoic acid|Succinate semialdehyde|Succinic semialdehyde|beta-formylpropionic acid|semialdehyde succinique|succinaldehydic acid|succinic acid semialdehyde http://purl.obolibrary.org/obo/CHEBI_16265 3_STAR
CHEBI:16266 biolink:ChemicalSubstance 2,3-bis-O-(geranylgeranyl)glycerol 1-phosphate KEGG:C04638 phenio.json 2,3-Bis-O-(geranylgeranyl)glycerol 1-phosphate|2,3-bis-O-(geranylgeranyl)glycerol 1-(dihydrogen phosphate)|2,3-bis[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yloxy]propyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_16266 3_STAR
CHEBI:16267 biolink:ChemicalSubstance (R)-4-hydroxymandelonitrile beta-D-glucoside A beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. CAS:21401-21-8|KEGG:C01855|PMID:10380623|PMID:1194256|PMID:12711800|PMID:16989538|PMID:17340339|PMID:7012151|PMID:7458352|Patent:CN101112354|Patent:CN101112355|Reaxys:92612 phenio.json (2R)-(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile|(R)-4-Hydroxymandelonitrile beta-D-glucoside|(R)-alpha-(beta-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile|(R)-p-hydroxymandelonitrile-D-glucopyranoside|Taxiphyllin|taxiphyllin http://purl.obolibrary.org/obo/CHEBI_16267 3_STAR
CHEBI:16268 biolink:ChemicalSubstance nitroethane A nitroalkane that is ethane substituted by a nitro group. CAS:79-24-3|Gmelin:68639|KEGG:C01837|MetaCyc:CPD-12077|PDBeChem:NIE|PMID:18491914|PMID:24963606|Reaxys:1209324|Wikipedia:Nitroethane phenio.json 1-nitroethane|Nitroethan|Nitroethane|nitroethane http://purl.obolibrary.org/obo/CHEBI_16268 3_STAR
CHEBI:16269 biolink:ChemicalSubstance N,N-dimethylaniline A tertiary amine that is aniline in which the amino hydrogens are replaced by two methyl groups. CAS:121-69-7|HMDB:HMDB0001020|KEGG:C02846|MetaCyc:NN-DIMETHYLANILINE|PMID:24315030|Reaxys:507140|Wikipedia:Dimethylaniline phenio.json Dimethylaminobenzene|Dimethylaniline|Dimethylphenylamine|N,N-Dimethyl-N-phenylamine|N,N-Dimethylaniline|N,N-Dimethylbenzenamine|N,N-Dimethylbenzeneamine|N,N-Dimethylphenylamine|N,N-dimethylaniline http://purl.obolibrary.org/obo/CHEBI_16269 3_STAR
CHEBI:16270 biolink:ChemicalSubstance benzoylagmatine KEGG:C02253 phenio.json Benzoylagmatine|N-(4-guanidinobutyl)benzamide|N-[4-(carbamimidamido)butyl]benzamide http://purl.obolibrary.org/obo/CHEBI_16270 3_STAR
CHEBI:16271 biolink:ChemicalSubstance 2-exo-hydroxy-1,8-cineole A cineole in which the 1,8-cineole skeleton is substituted at C-2 with a hydroxy group oriented exo (S configuration). Beilstein:5727572|KEGG:C03092|LIPID_MAPS_instance:LMPR0102090065|PMID:11159812|PMID:11695850 phenio.json (1R,4S,6S)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-ol|2-exo-hydroxy-1,8-cineole|6-endo-Hydroxycineole http://purl.obolibrary.org/obo/CHEBI_16271 3_STAR
CHEBI:16274 biolink:ChemicalSubstance 5,12-dihydroxanthommatin CAS:25705-16-2|KEGG:C03476 phenio.json 11-(3-amino-3-carboxypropanoyl)-1-hydroxy-5-oxo-6,12-dihydro-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid|5,12-Dihydroxanthommatin http://purl.obolibrary.org/obo/CHEBI_16274 3_STAR
CHEBI:16275 biolink:ChemicalSubstance all-trans-octaprenyl diphosphate An all-trans-polyprenyl diphosphate composed from eight isoprenyl units. KEGG:C04146|LIPID_MAPS_instance:LMPR01070226|PDBeChem:OTP phenio.json (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE|(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaen-1-yl trihydrogen diphosphate|Farnesylfarnesylgeraniol|all-trans-Octaprenyl diphosphate|all-trans-octaprenyl pyrophosphate http://purl.obolibrary.org/obo/CHEBI_16275 3_STAR
CHEBI:16277 biolink:ChemicalSubstance haloacetic acid A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a halogen atom. KEGG:C01812 phenio.json http://purl.obolibrary.org/obo/CHEBI_16277 3_STAR
CHEBI:16278 biolink:ChemicalSubstance 2-hydroxy-3-oxoadipic acid An oxo dicarboxylic acid comprising adipic acid having the oxo group at the 3-position as well as a hydroxy substituent at the 2-position. KEGG:C03217 phenio.json 2-Hydroxy-3-oxoadipate|2-hydroxy-3-oxohexanedioic acid http://purl.obolibrary.org/obo/CHEBI_16278 3_STAR
CHEBI:16279 biolink:ChemicalSubstance 1-O-trans-cinnamoyl-beta-D-glucopyranose An O-acyl carbohydrate consisting of beta-D-glucose carrying a O-trans-cinnamoyl group at the anomeric position. KEGG:C04164|PMID:11330708|PMID:11409967|Reaxys:7436104 phenio.json 1-O-(trans-cinnamoyl)-beta-D-glucose|1-O-[(2E)-3-phenylprop-2-enoyl]-beta-D-glucopyranose|1-O-trans-Cinnamoyl-beta-D-glucopyranose|trans-Cinnamoyl beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_16279 3_STAR
CHEBI:16281 biolink:ChemicalSubstance 3-(2-carboxyethenyl)-cis,cis-muconic acid KEGG:C04366 phenio.json (2Z,5Z)-4-(carboxymethylidene)hepta-2,5-dienedioic acid|3-(2-Carboxyethenyl)-cis,cis-muconate|3-(2-carboxyethenyl)-cis,cis-muconate|3-(2-carboxyvinyl)-cis,cis-muconate http://purl.obolibrary.org/obo/CHEBI_16281 3_STAR
CHEBI:16282 biolink:ChemicalSubstance 2-ureidoglycine Allantoic acid in which one of the aminocarbonyl groups is replaced by hydrogen. KEGG:C02091 phenio.json (+-)-2-(carbamoylamino)glycine|(+-)-2-ureidoglycine|(+-)-amino(carbamoylamino)acetic acid|2-(carbamoylamino)glycine|Ureidoglycine|amino(carbamoylamino)acetic acid http://purl.obolibrary.org/obo/CHEBI_16282 3_STAR
CHEBI:16283 biolink:ChemicalSubstance L-cystine The L-enantiomer of the sulfur-containing amino acid cystine. CAS:56-89-3|DrugBank:DB00138|Drug_Central:4130|Gmelin:397179|HMDB:HMDB0000192|KEGG:C00491|KEGG:D03636|KNApSAcK:C00001352|PMID:14726201|PMID:24264736|PMID:24327171|Reaxys:1728094 phenio.json (2R,2'R)-3,3'-disulfanediylbis(2-aminopropanoic acid)|(R,R)-3,3'-dithiobis(2-aminopropanoic acid)|(R-(R*,R*))-3,3'-Dithiobis(2-aminopropanoic acid)|3,3'-Dithiobis-L-alanine|E921|L-Cystine|L-Dicysteine|L-alpha-Diamino-beta-dithiolactic acid|L-cystine|beta,beta'-diamino-beta,beta'-dicarboxydiethyl disulfide|beta,beta'-dithiodialanine|bis(beta-amino-beta-carboxyethyl) disulfide|oxidized L-cysteine http://purl.obolibrary.org/obo/CHEBI_16283 3_STAR
CHEBI:16284 biolink:ChemicalSubstance dATP A purine 2'-deoxyribonucleoside 5'-triphosphate having adenine as the nucleobase. CAS:1927-31-7|Chemspider:15194|DrugBank:DB03222|FooDB:FDB022674|HMDB:HMDB0001532|KEGG:C00131|PDBeChem:DTP|PMID:22595174|PMID:26100204|PMID:26497964|PMID:26727048|PMID:29712847|PMID:31110001|PMID:32787210|PMID:32818298|PMID:32956632|PMID:6783298|Wikipedia:Deoxyadenosine_triphosphate phenio.json 2'-Deoxyadenosine 5'-triphosphate|2'-dATP|2'-deoxy-ATP|2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)|2'-deoxyadenosine 5'-triphosphate|2'-deoxyadenosine triphosphate|Deoxyadenosine 5'-triphosphate|Deoxyadenosine triphosphate|dATP http://purl.obolibrary.org/obo/CHEBI_16284 3_STAR
CHEBI:16285 biolink:ChemicalSubstance phytanic acid A branched-chain saturated fatty acid consisting of hexadecanoic acid carrying methyl substituents at positions 3, 7, 11 and 15. CAS:14721-66-5|KEGG:C01607|LIPID_MAPS_instance:LMFA01020251|PMID:12187408|PMID:17956237|PMID:9819701|Reaxys:1789963 phenio.json 3,7,11,15-Tetramethyl-hexadecansaeure|3,7,11,15-tetramethyl hexadecanoic acid|3,7,11,15-tetramethyl-hexadecanoic acid|3,7,11,15-tetramethylhexadecanoic acid|Phytanic acid http://purl.obolibrary.org/obo/CHEBI_16285 3_STAR
CHEBI:16287 biolink:ChemicalSubstance UDP-N-acetyl-D-mannosamine A UDP-amino sugar having N-acetyl-D-mannosamine as the amino sugar component. KEGG:G11112 phenio.json UDP-N-acetyl-D-mannosamine|uridine 5'-[3-(2-acetamido-2-deoxy-D-mannopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16287 3_STAR
CHEBI:16288 biolink:ChemicalSubstance O-acetyl-L-homoserine The O-acetyl derivative of L-homoserine. Beilstein:1724342|CAS:7540-67-2|KEGG:C01077|KNApSAcK:C00019570|MetaCyc:CPD-667|PMID:11566369|PMID:16233482|PMID:2517474|PMID:35287716 phenio.json (2S)-4-(acetyloxy)-2-aminobutanoic acid|O-Acetyl-L-homoserine|O-Acetylhomoserine http://purl.obolibrary.org/obo/CHEBI_16288 3_STAR
CHEBI:16289 biolink:ChemicalSubstance beta-D-galactosyl group A galactosyl group obtained by removing the hydroxy group from the hemiacetal function of beta-D-galactose and, by extension, of a lower oligosaccharide having galactose at the reducing end. The unsubstituted parent of the class of beta-D-galactosyl groups. PMID:29069089 phenio.json Galbeta-yl|Galbeta-yl group|beta-D-Galp|beta-D-galactopyranosyl|beta-D-galactosyl|beta-D-galactosyl group http://purl.obolibrary.org/obo/CHEBI_16289 3_STAR
CHEBI:16290 biolink:ChemicalSubstance 5alpha-cholesta-7,24-dien-3beta-ol CAS:651-54-7|KEGG:C05439 phenio.json (3beta,5alpha)-cholesta-7,24-dien-3-ol|5alpha-Cholesta-7,24-dien-3beta-ol|5alpha-cholesta-7,24-dien-3beta-ol|cholesta-7,24-dien-3-ol http://purl.obolibrary.org/obo/CHEBI_16290 3_STAR
CHEBI:16291 biolink:ChemicalSubstance 1-alkyl-2-acetyl-sn-glycerol A 1-alkyl-2-acylglycerol having acetyl as the acyl substituent. KEGG:C03820 phenio.json 1-Alkyl-2-acetyl-sn-glycerol|1-O-Alkyl-2-acetyl-sn-glycerol|1-alkyl-2-acetyl-sn-glycerols|2-Acetyl-1-alkyl-sn-glycerol|a 1-O-alkyl-2-acetyl-sn-glycerol http://purl.obolibrary.org/obo/CHEBI_16291 3_STAR
CHEBI:16292 biolink:ChemicalSubstance D-arabinono-1,4-lactone CAS:2782-09-4|KEGG:C00652 phenio.json (3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one|1,4-D-Arabinonolactone|D-Arabinonic acid, gamma-lactone|D-Arabinono-1,4-lactone|D-Arabonolactone|D-arabinono-1,4-lactone http://purl.obolibrary.org/obo/CHEBI_16292 3_STAR
CHEBI:16294 biolink:ChemicalSubstance barbituric acid A barbiturate, the structure of which is that of perhydropyrimidine substituted at C-2, -4 and -6 by oxo groups. Barbituric acid is the parent compound of barbiturate drugs, although it is not itself pharmacologically active. CAS:67-52-7|Gmelin:101571|HMDB:HMDB0041833|KEGG:C00813|PMID:22139480|PMID:23038042|PMID:23915243|PMID:3654008|Reaxys:120502|Wikipedia:Barbituric_acid phenio.json 2,4,6(1H,3H,5H)-pyrimidinetrione|Barbituric acid|Barbitursaeure|Malonylharnstoff|Malonylurea|pyrimidine-2,4,6(1H,3H,5H)-trione http://purl.obolibrary.org/obo/CHEBI_16294 3_STAR
CHEBI:16295 biolink:ChemicalSubstance alpha-D-glucosyl-(1->6)-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl-(1->3')-1-alkyl-2-acylglycerol A glycosylglycerol derivative in which the glycosyl moiety alpha-D-glucosyl-(1->6)-alpha-D-glucosyl-(1->6)-alpha-D-glucose is attached at position 3 of 1-alkyl-2-acylglycerol KEGG:C04909|MetaCyc:ALPHA-D-GLUCOSYL-ETCETERA-ACYLGLYCEROL phenio.json an alpha-D-glucosyl-(1->6)-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl-(1->3)-1-alkyl-2-acylglycerol http://purl.obolibrary.org/obo/CHEBI_16295 3_STAR
CHEBI:16296 biolink:ChemicalSubstance D-tryptophan The D-enantiomer of tryptophan. CAS:153-94-6|DrugBank:DB03225|Gmelin:83743|HMDB:HMDB0013609|KEGG:C00525|MetaCyc:D-TRYPTOPHAN|PDBeChem:DTR|PMID:21560237|PMID:22156410|PMID:22336999|PMID:24097941|Reaxys:86198|YMDB:YMDB00998 phenio.json (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid|(R)-tryptophan|D-TRYPTOPHAN|D-Tryptophan|D-tryptophan|DTR http://purl.obolibrary.org/obo/CHEBI_16296 3_STAR
CHEBI:16298 biolink:ChemicalSubstance D-mannitol 1-phosphate An alditol 1-phosphate that is the 1-O-phospho derivative of mannitol with D-configuration. CAS:15806-48-1|HMDB:HMDB0001530|KEGG:C00644|KNApSAcK:C00019638|MetaCyc:MANNITOL-1P|PMID:21299839|Reaxys:1728362 phenio.json 1-O-phosphono-D-mannitol|D-Mannitol 1-phosphate|D-mannitol 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16298 3_STAR
CHEBI:16299 biolink:ChemicalSubstance dehydrocoformycin A coformycin derivative in which the hydroxy group on the diazepine ring of coformycin is replaced by an oxo group. KEGG:C02243 phenio.json 3-(beta-D-ribofuranosyl)-6,7-dihydroimidazo[4,5-d][1,3]diazepin-8(3H)-one|8-Oxocoformycin http://purl.obolibrary.org/obo/CHEBI_16299 3_STAR
CHEBI:16300 biolink:ChemicalSubstance alpha-D-ribose 1-phosphate The 1-phospho derivative of alpha-D-ribose. CAS:14075-00-4|DrugBank:DB03101|HMDB:HMDB0001489|KEGG:C00620|MetaCyc:RIBOSE-1P|PDBeChem:R1P|Reaxys:85832 phenio.json 1-O-phosphono-alpha-D-ribofuranose|1-phospho-alpha-D-ribofuranose|D-Ribose 1-phosphate|Ribose 1-phosphate|alpha-D-Ribose 1-phosphate|alpha-D-ribofuranose 1-(dihydrogen phosphate)|alpha-D-ribose 1-phosphate http://purl.obolibrary.org/obo/CHEBI_16300 3_STAR
CHEBI:16301 biolink:ChemicalSubstance nitrite The nitrogen oxoanion formed by loss of a proton from nitrous acid. CAS:14797-65-0|Gmelin:977|KEGG:C00088|PDBeChem:NO2|Wikipedia:Nitrite phenio.json NITRITE ION|NO2|NO2(-)|Nitrit|Nitrite|[NO2](-)|dioxidonitrate(1-)|dioxonitrate(1-)|dioxonitrate(III)|nitrite|nitrite anion|nitrite(1-)|nitrous acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_16301 3_STAR
CHEBI:16302 biolink:ChemicalSubstance 11-cis-retinol CAS:22737-96-8|KEGG:C00899|LIPID_MAPS_instance:LMPR01090005 phenio.json (2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|11-cis-Retinol|11-cis-retinol http://purl.obolibrary.org/obo/CHEBI_16302 3_STAR
CHEBI:16303 biolink:ChemicalSubstance 3-amino-L-alanine A 3-aminoalanine that has S configuration. CAS:4033-39-0|KEGG:C03401|PDBeChem:DPP|PMID:22182933|Reaxys:1721400|Wikipedia:2,3-Diaminopropionic_acid phenio.json (2S)-2,3-diaminopropanoic acid|3-amino-L-alanine|Dpr|L-2,3-Diaminopropanoate|L-2,3-Diaminopropanoic acid|L-2,3-Diaminopropionate|L-2,3-Diaminopropionic acid http://purl.obolibrary.org/obo/CHEBI_16303 3_STAR
CHEBI:16304 biolink:ChemicalSubstance cob(II)alamin A cobalamin in which the central cobalt atom has an oxidation state of +2. CAS:14463-33-3|COMe:MOL000033|Gmelin:1243558|KEGG:C00541 phenio.json Cob(II)alamin|Vitamin B12r|cob(II)alamin|vitamin B-12r http://purl.obolibrary.org/obo/CHEBI_16304 3_STAR
CHEBI:16307 biolink:ChemicalSubstance anthocyanidin 3-O-beta-D-glucoside An anthocyanidin glucoside having the glucosyl residue at the 3-position attached via a beta-linkage. KEGG:C03940 phenio.json Anthocyanidin-3-O-D-glucoside|Anthocyanidin-3-O-beta-D-glucoside|an anthocyanidin 3-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_16307 3_STAR
CHEBI:16308 biolink:ChemicalSubstance sucrose 6(F)-phosphate KEGG:C02591|KEGG:G10508|PDBeChem:SUP phenio.json 6-O-Phosphonosucrose|6-O-phosphono-beta-D-fructofuranosyl alpha-D-glucopyranoside|6-Phosphosucrose|Sucrose 6-phosphate|Sucrose 6F-phosphate|beta-D-Fructofuranosyl-6-O-phosphono-alpha-D-glucopyranoside|sugar 1-phosphate http://purl.obolibrary.org/obo/CHEBI_16308 3_STAR
CHEBI:16309 biolink:ChemicalSubstance 4-sulfobenzoate(1-) phenio.json 4-sulfobenzoate|4-sulphobenzoate|HO3S-C6H4-COO(-) http://purl.obolibrary.org/obo/CHEBI_16309 3_STAR
CHEBI:16310 biolink:ChemicalSubstance sulcatone A heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil. CAS:110-93-0|HMDB:HMDB0035915|KEGG:C07287|KNApSAcK:C00011400|PMID:23590828|PMID:24627092|Reaxys:1741705 phenio.json 6-Methyl-5-hepten-2-one|6-Methylhept-5-en-2-one|6-methyl-5-hepten-2-one|6-methylhept-5-en-2-one|Sulcatone|sulcatone http://purl.obolibrary.org/obo/CHEBI_16310 3_STAR
CHEBI:16311 biolink:ChemicalSubstance dCTP A 2'-deoxycytidine phosphate having cytosine as the nucleobase. CAS:2056-98-6|Chemspider:58601|DrugBank:DB03258|FooDB:FDB022359|HMDB:HMDB0000998|KEGG:C00458|PDBeChem:DCP|PMID:11200258|PMID:15787173|PMID:15935150|PMID:16061253|PMID:16061997|PMID:16120835|PMID:19328748|PMID:22212996|PMID:29989586|PMID:31377845|PMID:32800127|PMID:32926292|PMID:34110794|PMID:6601514|PMID:761229|PMID:7877593|Wikipedia:Deoxycytidine_triphosphate phenio.json 2'-deoxy-CTP|2'-deoxycytidine 5'-(tetrahydrogen triphosphate)|2'-deoxycytidine 5'-triphosphate|2'-deoxycytidine triphosphate|dCTP|deoxy-CTP|deoxycytidine 5'-triphosphate|deoxycytidine triphosphate|deoxycytidine-triphosphate http://purl.obolibrary.org/obo/CHEBI_16311 3_STAR
CHEBI:16312 biolink:ChemicalSubstance 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid Beilstein:3224670|CAS:2458-08-4|KEGG:C01292|LIPID_MAPS_instance:LMST04010176 phenio.json (3alpha,5beta,7alpha)-3,7-dihydroxy-12-oxocholan-24-oic acid|3,7-dihydroxy-12-oxocholanoic acid|3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate|3alpha,7alpha-dihydroxy-12-oxo-5beta-cholan-24-oic acid http://purl.obolibrary.org/obo/CHEBI_16312 3_STAR
CHEBI:16313 biolink:ChemicalSubstance D-proline The D-enantiomer of proline. CAS:344-25-2|DrugBank:DB02853|Gmelin:833984|HMDB:HMDB0003411|KEGG:C00763|MetaCyc:D-PROLINE|PDBeChem:DPR|PMID:19023642|PMID:20023020|PMID:20959625|PMID:21374575|PMID:21563681|PMID:22475019|PMID:22479580|Reaxys:80811|Wikipedia:D-proline phenio.json (2R)-pyrrolidine-2-carboxylic acid|(R)-2-Carboxypyrrolidine|(R)-pyrrolidine-2-carboxylic acid|D-PROLINE|D-Prolin|D-Proline|D-proline|DPR http://purl.obolibrary.org/obo/CHEBI_16313 3_STAR
CHEBI:16314 biolink:ChemicalSubstance N-formylmethanofuran CAS:94483-60-0|KEGG:C01001 phenio.json Formylmethanofuran|N(2)-[rel-(4R,5S)-4,5,7-tricarboxyheptanoyl]-L-gamma-glutamyl-N(5)-[2-(4-{[5-(formamidomethyl)-3-furyl]methoxy}phenyl)ethyl]-L-glutamine http://purl.obolibrary.org/obo/CHEBI_16314 3_STAR
CHEBI:16317 biolink:ChemicalSubstance 3alpha-hydroxyglycyrrhetinic acid KEGG:C03930 phenio.json 3-alpha-hydroxyglycyrrhetinate|3alpha-Hydroxyglycyrrhetinate|3alpha-hydroxy-11-oxoolean-12-en-30-oic acid|3betaH-glycyrrhetinate|3betaH-glycyrrhetinic acid http://purl.obolibrary.org/obo/CHEBI_16317 3_STAR
CHEBI:16318 biolink:ChemicalSubstance 4-nitrocatechol A member of the class of catechols that is benzene-1,2-diol substituted by a nitro group at position 4.It is the by-product of the hydroxylation of p-nitrophenol. CAS:3316-09-4|DrugBank:DB03407|HMDB:HMDB0002916|KEGG:C02235|MetaCyc:CPD-158|PDBeChem:4NC|PMID:14993710|PMID:20854995|PMID:8214571|PMID:8267647|Reaxys:1867508|UM-BBD_compID:c0263 phenio.json 1,2-Dihydroxy-4-nitrobenzene|4-Nitrocatechol|4-Nitropyrocatechol|4-nitrobenzene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_16318 3_STAR
CHEBI:16319 biolink:ChemicalSubstance 2-acetamido-5-oxopentanoic acid A glutamic semialdehyde that is L-glutamate 5-semialdehyde in which one of the hydrogens of the amino group has been replaced by an acetyl group. KEGG:C01250 phenio.json (2S)-2-acetamido-5-oxopentanoic acid|2-acetamido-5-oxovaleric acid|N-Acetyl-L-glutamate 5-semialdehyde|N-acetyl-5-oxo-L-norvaline http://purl.obolibrary.org/obo/CHEBI_16319 3_STAR
CHEBI:16320 biolink:ChemicalSubstance (R)-3-aminoisobutyric acid The (R)-enantiomer of 3-aminoisobutyric acid. Beilstein:1720957|KEGG:C01205|Reaxys:1720957 phenio.json (2R)-3-amino-2-methylpropanoic acid|(R)-3-Amino-2-methylpropanoate|(R)-3-amino-2-methylpropanoate|(R)-beta-aminoisobutyric acid|D-3-Amino-isobutanoate http://purl.obolibrary.org/obo/CHEBI_16320 3_STAR
CHEBI:16321 biolink:ChemicalSubstance 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid A tricarboxylic acid that is buta-1,3-diene-1,2,4-tricarboxylic acid substituted by a hydroxy group at position 4. PMID:32586023 phenio.json 4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid http://purl.obolibrary.org/obo/CHEBI_16321 3_STAR
CHEBI:16322 biolink:ChemicalSubstance myo-inositol 1,3,4,5,6-pentakisphosphate Beilstein:2495585|KEGG:C01284|PDBeChem:5MY phenio.json 1D-myo-Inositol 1,3,4,5,6-pentakisphosphate|D-myo-Inositol 1,3,4,5,6-pentakisphosphate|Inositol 1,3,4,5,6-pentakisphosphate|myo-inositol 1,3,4,5,6-pentakis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16322 3_STAR
CHEBI:16324 biolink:ChemicalSubstance rifamycin O CAS:14487-05-9|KEGG:C01849|KNApSAcK:C00018712|LIPID_MAPS_instance:LMPK05000004 phenio.json (2'S,12'Z,14'E,16'S,17'S,18'R,19'R,20'R,21'S,22'R,23'S,24'E)-5',17',19'-trihydroxy-23'-methoxy-2',4',12',16',18',20',22'-heptamethyl-1',4,6',11'-tetraoxo-1',2'-dihydro-6'H-spiro[1,3-dioxolane-2,9'-[2,7](epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan]-21'-yl acetate|Rifamycin O|Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, gamma-lactone|rifamycin O http://purl.obolibrary.org/obo/CHEBI_16324 3_STAR
CHEBI:16325 biolink:ChemicalSubstance lithocholic acid A monohydroxy-5beta-cholanic acid with a alpha-hydroxy substituent at position 3. It is a bile acid obtained from chenodeoxycholic acid by bacterial action. CAS:434-13-9|HMDB:HMDB0000761|KEGG:C03990|LINCS:LSM-5371|LIPID_MAPS_instance:LMST04010003|MetaCyc:CPD-7235|PDBeChem:4OA|PMID:20622262|PMID:23639599|PMID:24270587|PMID:24332653|PMID:24399466|PMID:7068113|Reaxys:3217757|Wikipedia:Lithocholic_acid phenio.json (3alpha,5beta)-3-hydroxycholan-24-oic acid|3alpha-Hydroxy-5beta-cholanate|3alpha-Hydroxy-5beta-cholanic acid|3alpha-hydroxy-5beta-cholan-24-oic acid|3alpha-hydroxy-5beta-cholanic acid|3alpha-hydroxy-5beta-cholanoic acid|5beta-cholanic acid-3alpha-ol|Lithocholic acid http://purl.obolibrary.org/obo/CHEBI_16325 3_STAR
CHEBI:16326 biolink:ChemicalSubstance alpha-D-hexose 1-phosphate Any hexose-1-phosphate which has D configuration at position 5 and alpha-configuration at the anomeric centre. KEGG:C01171 phenio.json alpha-D-Hexose 1-phosphate|alpha-D-hexose 1-phosphates http://purl.obolibrary.org/obo/CHEBI_16326 3_STAR
CHEBI:16327 biolink:ChemicalSubstance 2-oxosuccinamic acid A dicarboxylic acid monoamide that is succinamic acid substituted by an oxo group at position 2. KEGG:C02362|PMID:186027 phenio.json 2-Oxosuccinamate|2-Oxosuccinamic acid|4-amino-2,4-dioxobutanoic acid|Oxaloacetamid|gamma-Aminooxaloacetate http://purl.obolibrary.org/obo/CHEBI_16327 3_STAR
CHEBI:16329 biolink:ChemicalSubstance UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysine KEGG:C05892 phenio.json UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysine|UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysine|UDPMurAc(oyl-L-Ala-D-gamma-Glu-L-Lys)|uridine 5'-(3-{2-acetamido-3-O-[1-({(2S)-1-[(4-{[(1S)-5-amino-1-carboxypentyl]amino}-1-carboxy-4-oxobutyl)amino]-1-oxopropan-2-yl}amino)-1-oxopropan-2-yl]-2-deoxy-D-glucopyranosyl} dihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_16329 3_STAR
CHEBI:16330 biolink:ChemicalSubstance 17beta-hydroxy-5alpha-androstan-3-one A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5. CAS:521-18-6|DrugBank:DB02901|Drug_Central:3927|HMDB:HMDB0002961|KEGG:C03917|KEGG:D07456|LIPID_MAPS_instance:LMST02020042|MetaCyc:17-BETA-HYDROXY-5ALPHA-ANDROSTAN-3-O|PDBeChem:DHT|PMID:15251265|PMID:15811352|PMID:18076420|Wikipedia:Dihydrotestosterone phenio.json 17beta-Hydroxy-5alpha-androstan-3-one|17beta-Hydroxyandrostan-3-one|17beta-hydroxy-5alpha-androstan-3-one|17beta-hydroxyandrostan-3-one|4,5alpha-dihydrotestosterone|5alpha-DHT|5alpha-Dihydrotestosterone|5alpha-dihydrotestosterone|Androstanolone|DHT|DIHYDROTESTOSTERONE|Dihydrotestosteron|Stanolone|androstanolona|androstanolone|androstanolonum|dihydrotestosterone http://purl.obolibrary.org/obo/CHEBI_16330 3_STAR
CHEBI:16331 biolink:ChemicalSubstance phloretate A hydroxy monocarboxylic acid anion that is the conjugate base of phloretic acid, arising from deprotonation of the carboxy group. Gmelin:1785227|KEGG:C01744 phenio.json 3-(4-hydroxyphenyl)propanate|3-(4-hydroxyphenyl)propanoate|phloretate http://purl.obolibrary.org/obo/CHEBI_16331 3_STAR
CHEBI:16332 biolink:ChemicalSubstance D-xylulose 5-phosphate The D-enantiomer of xylulose 5-phosphate. CAS:60802-29-1|KEGG:C00231|KNApSAcK:C00019693|Reaxys:1913425 phenio.json 5-O-phosphono-D-threo-pentos-2-ulose|5-O-phosphono-D-xylulose|D-Xylulose 5-phosphate|D-Xylulose-5-phosphate|D-threo-pentos-2-ulose 5-(dihydrogen phosphate)|D-xylulose 5-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16332 3_STAR
CHEBI:16333 biolink:ChemicalSubstance 2-arylpropionic acid A class of carboxylic acids of general formula RCHCH3C(=O)OH where R represents an aryl group. KEGG:C06389 phenio.json 2-Arylpropionate|2-arylpropanoic acid|2-arylpropionic acids http://purl.obolibrary.org/obo/CHEBI_16333 3_STAR
CHEBI:16335 biolink:ChemicalSubstance adenosine A ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. CAS:58-61-7|DrugBank:DB00640|Drug_Central:90|ECMDB:ECMDB00050|Gmelin:53385|HMDB:HMDB0000050|KEGG:C00212|KEGG:D00045|KNApSAcK:C00007444|LINCS:LSM-28568|MetaCyc:ADENOSINE|PDBeChem:ADN|PDBeChem:ArF00|PDBeChem:ArS00|PMID:11213237|PMID:11820865|PMID:11978011|PMID:16183671|PMID:16917093|PMID:17190852|PMID:18000974|PMID:323854|Reaxys:93029|Wikipedia:Adenosine|YMDB:YMDB00058 phenio.json (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol|6-Amino-9-beta-D-ribofuranosyl-9H-purine|9-beta-D-Ribofuranosidoadenine|9-beta-D-Ribofuranosyl-9H-purin-6-amine|9-beta-D-ribofuranosyl-9H-purin-6-amine|9-beta-D-ribofuranosyladenine|ADENOSINE|Ade-Rib|Adenocard|Adenocor|Adenoscan|Adenosin|Adenosine|Ado|adenine riboside|adenosine|beta-D-adenosine http://purl.obolibrary.org/obo/CHEBI_16335 3_STAR
CHEBI:16336 biolink:ChemicalSubstance hyaluronic acid A mucopolysaccharide composed of N-acetylglucosamine and glucuronic acid subunits. It is found in the connective tissues of vertebrates. A principal constituent of the extracellular matrix (ECM), it mediates the growth and metastasis of tumour cells. Beilstein:8538277|CAS:9004-61-9|HMDB:HMDB0010366|KEGG:C00518|KEGG:D08043|KEGG:G10505|PMID:11122186|PMID:18056362|PMID:18290544|Reaxys:8187837|Wikipedia:Hyaluronan phenio.json Hyaluronic acid|Hyaluronsaeure|[beta-D-glucopyranuronosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)]n|[beta-N-Acetyl-D-glucosaminyl(1,4)beta-D-glucuronosyl(1,3)]n|acide hyaluronique|acido hialuronico|hyaluronan http://purl.obolibrary.org/obo/CHEBI_16336 3_STAR
CHEBI:16337 biolink:ChemicalSubstance phosphatidic acid A derivative of glycerol in which one hydroxy group, commonly but not necessarily primary, is esterified with phosphoric acid and the other two are esterified with fatty acids. KEGG:C00416 phenio.json 1,2-Diacyl-sn-glycerol 3-phosphate|3-sn-Phosphatidate|Phosphatidate|Phosphatidic acid|phosphatidic acids http://purl.obolibrary.org/obo/CHEBI_16337 3_STAR
CHEBI:16338 biolink:ChemicalSubstance 4-hydroxy-L-glutamate(2-) A doubly-charged L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of 4-hydroxy-L-glutamic acid. KEGG:C03079 phenio.json (2S)-2-amino-4-hydroxypentanedioate|4-hydroxy-L-glutamate http://purl.obolibrary.org/obo/CHEBI_16338 3_STAR
CHEBI:16342 biolink:ChemicalSubstance L-5-carboxymethylhydantoin An imidazolidine-2,4-dione having a carboxymethyl group at the 5-position. KEGG:C03703 phenio.json L-5-Carboxymethylhydantoin|[(4S)-2,5-dioxoimidazolidin-4-yl]acetic acid http://purl.obolibrary.org/obo/CHEBI_16342 3_STAR
CHEBI:16343 biolink:ChemicalSubstance phenylethanolamine The simplest member of the class of phenylethanolamines that is 2-aminoethanol bearing a phenyl substituent at the 1-position. The parent of the phenylethanolamine class. CAS:7568-93-6|Drug_Central:3460|HMDB:HMDB0001065|KEGG:C02735|MetaCyc:PHENYLETHANOLAMINE|PMID:3137238|PMID:7201021|Reaxys:971222|Wikipedia:Phenylethanolamine phenio.json 2-Amino-1-phenylethanol|2-Hydroxy-2-phenylethylamine|2-Hydroxyphenethylamine|2-Phenyl-2-hydroxyethylamine|2-amino-1-phenylethanol|Bisnorephedrine|Phenethanolamine|Phenylethanolamine|alpha-(Aminomethyl)benzyl alcohol|alpha-(aminomethyl)benzyl alcohol|beta-Hydroxy-beta-phenylethylamine|beta-Hydroxyphenethylamine|beta-Phenethanolamine|beta-Phenylethanolamine http://purl.obolibrary.org/obo/CHEBI_16343 3_STAR
CHEBI:16344 biolink:ChemicalSubstance guanidinoacetic acid The N-amidino derivative of glycine. CAS:352-97-6|DrugBank:DB02751|HMDB:HMDB0000128|KEGG:C00581|MetaCyc:GUANIDOACETIC_ACID|PDBeChem:NMG|PMID:15462098|PMID:16538977|PMID:22770225|PMID:23329885|PMID:24103317|PMID:25460748|PMID:25468046|PMID:25622538|PMID:25680689|PMID:25896543|PMID:26079223|PMID:26216477|PMID:26255041|PMID:26311810|PMID:26376857|PMID:26411433|PMID:26445773|PMID:26485404|PMID:26684475|Reaxys:1759179|Wikipedia:Glycocyamine phenio.json (carbamimidamido)acetic acid|Glycocyamine|Guanidinoacetate|Guanidinoacetic acid|Guanidoacetic acid|N-(carbamimidoyl)glycine|N-Amidinoglycine|N-[Amino(Imino)Methyl]Glycine|N-amidinoglycine|N-carbamimidoylglycine http://purl.obolibrary.org/obo/CHEBI_16344 3_STAR
CHEBI:16345 biolink:ChemicalSubstance 3-sulfino-L-alanine The organosulfinic acid arising from oxidation of the sulfhydryl group of L-cysteine. CAS:1115-65-7|DrugBank:DB02153|HMDB:HMDB0000996|KEGG:C00606|PDBeChem:CSD|PMID:18559081|PMID:19885389|PMID:7978266|Reaxys:1724100|Wikipedia:Cysteine_sulfinic_acid phenio.json (2R)-2-amino-3-sulfinopropanoic acid|3-SULFINOALANINE|3-Sulfino-L-alanine|3-Sulfinoalanine|3-Sulphino-L-alanine|3-sulfino-L-alanine|L-Cysteinesulfinic acid http://purl.obolibrary.org/obo/CHEBI_16345 3_STAR
CHEBI:16346 biolink:ChemicalSubstance (S)-1-phenylethanol The (S)-enantiomer of 1-phenylethanol. CAS:1445-91-6|Gmelin:26803|KEGG:C11348|PDBeChem:SS1|Reaxys:2039797|UM-BBD_compID:c0266 phenio.json (1S)-1-phenylethanol|(S)-1-Phenethyl alcohol|(S)-1-Phenylethanol|(S)-1-phenylethanol|(S)-alpha-methylbenzenemethanol http://purl.obolibrary.org/obo/CHEBI_16346 3_STAR
CHEBI:16347 biolink:ChemicalSubstance (R)-carnitine The (R)-enantiomer of carnitine. Beilstein:4292315|Beilstein:5732837|CAS:541-15-1|DrugBank:DB00583|Drug_Central:513|Gmelin:1782973|HMDB:HMDB0000062|KEGG:C00318|KEGG:D02176|MetaCyc:CARNITINE|PDBeChem:152 phenio.json (-)-Carnitine|(-)-L-Carnitine|(3R)-3-hydroxy-4-(trimethylammonio)butanoate|(R)-Carnitine|(R)-carnitine|3-Carboxy-2-hydroxy-N,N,N-trimethyl-1-propanaminium hydroxide, inner salt|Carnicor|Carnitene|Carnitine|Carnitor|L-Carnitine|Levocarnitine|Vitamin BT http://purl.obolibrary.org/obo/CHEBI_16347 3_STAR
CHEBI:16348 biolink:ChemicalSubstance 3-nitropropanoic acid A C-nitro compound that is propanoic acid in which one of the methyl hydrogens has been replaced by a nitro group. Beilstein:1759889|CAS:504-88-1|Gmelin:533092|KEGG:C05669|KNApSAcK:C00018684|LINCS:LSM-6632|PDBeChem:3NP|PMID:11409756|PMID:11785916|PMID:14700739|PMID:16038559|PMID:16300642|PMID:16443208|PMID:16940769|PMID:17183449|PMID:17344940|PMID:17566644|PMID:19755148|PMID:19763544|PMID:19779956|PMID:25963711|PMID:26796265|PMID:26957301|PMID:27289244|PMID:27682807|PMID:27690136|PMID:27890093|PMID:28164735|PMID:28271107|PMID:8848189 phenio.json 3-NITROPROPANOIC ACID|3-nitropropanoic acid|3-nitropropionic acid|Bovinocidin|beta-Nitropropanoic acid|beta-Nitropropionic acid http://purl.obolibrary.org/obo/CHEBI_16348 3_STAR
CHEBI:16349 biolink:ChemicalSubstance L-citrulline The L-enantiomer of citrulline. Beilstein:6055157|CAS:372-75-8|DrugBank:DB00155|Drug_Central:3103|ECMDB:ECMDB00904|Gmelin:774677|HMDB:HMDB0000904|KEGG:C00327|KEGG:D07706|KNApSAcK:C00001348|MetaCyc:L-CITRULLINE|PDBeChem:CIR|PMID:11862757|PMID:17190852|PMID:18022291|PMID:19173225|PMID:21067832|PMID:21915076|PMID:21955999|PMID:22119809|PMID:22345866|PMID:22348173|PMID:22387109|PMID:22388927|PMID:22402328|PMID:22402472|PMID:22512552|Reaxys:1725416|Wikipedia:Citrulline|YMDB:YMDB00060 phenio.json (2S)-2-amino-5-(carbamoylamino)pentanoic acid|(S)-2-Amino-5-ureidopentanoic acid|2-Amino-5-ureidovaleric acid|CITRULLINE|Cit|Citrulline|L-2-Amino-5-ureidovaleric acid|L-Citrulline|L-citrulline|N(5)-(aminocarbonyl)-L-ornithine|N(5)-carbamoyl-L-ornithine|N(delta)-carbamylornithine|N5-(Aminocarbonyl)ornithine|N5-carbamoylornithine|alpha-amino-delta-ureidovaleric acid|delta-ureidonorvaline http://purl.obolibrary.org/obo/CHEBI_16349 3_STAR
CHEBI:16350 biolink:ChemicalSubstance 2'-deoxyribonucleoside 5'-diphosphate phenio.json http://purl.obolibrary.org/obo/CHEBI_16350 1_STAR
CHEBI:16351 biolink:ChemicalSubstance 2-(alpha-D-mannosyl)-3-phosphoglyceric acid A is a monophosphoglyceric acid having the phosphate group at the 3-position as well as an alpha-D-mannosyl residue attached at the 2-position. KEGG:C11516 phenio.json 2-(alpha-D-Mannosyl)-3-phosphoglycerate|2-(alpha-D-mannopyranosyloxy)-3-(phosphonooxy)propanoic acid http://purl.obolibrary.org/obo/CHEBI_16351 3_STAR
CHEBI:16352 biolink:ChemicalSubstance 4-hydroxy-1-pyrroline-2-carboxylic acid A 1-pyrrolinecarboxylic acid having a hydroxy substituent at the 4-position. Beilstein:471742|HMDB:HMDB0002234|KEGG:C04282 phenio.json 1-Pyrroline-4-hydroxy-2-carboxylate|3-hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_16352 3_STAR
CHEBI:16353 biolink:ChemicalSubstance sinapine An acylcholine in which the acyl group specified is sinapoyl. CAS:18696-26-9|KEGG:C00933|KNApSAcK:C00002777|PMID:16827311|PMID:18589789|PMID:23030806|Reaxys:4933491 phenio.json 2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium|2-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]-N,N,N-trimethylethanaminium|O-sinapoylcholine|Sinapine|Sinapoylcholine http://purl.obolibrary.org/obo/CHEBI_16353 3_STAR
CHEBI:16354 biolink:ChemicalSubstance N-methylhydantoin A imidazolidine-2,4-dione that is the N-methyl-derivative of hydantoin. CAS:616-04-6|HMDB:HMDB0003646|KEGG:C02565|MetaCyc:N-METHYLHYDANTOIN|PMID:15533691|PMID:3196760|PMID:8287520|Reaxys:112062 phenio.json 1-Methylhydantoin|1-methylimidazolidine-2,4-dione|Dioxy-creatinine|N-Methylhydantoin|N-Methylimidazolidine-2,4-dione|N-methylhydantoin http://purl.obolibrary.org/obo/CHEBI_16354 3_STAR
CHEBI:16355 biolink:ChemicalSubstance 1-iodo-2-methoxybenzene An organoiodine compound that is iodobenzene substituted by methoxy group at psotion 2. CAS:529-28-2|KEGG:C03575|PMID:16323837|PMID:24204408|Reaxys:1860243 phenio.json 1-iodo-2-methoxybenzene|2-Iodophenol methyl ether|o-iodoanisole http://purl.obolibrary.org/obo/CHEBI_16355 3_STAR
CHEBI:16356 biolink:ChemicalSubstance 3',5'-cyclic GMP A 3',5'-cyclic purine nucleotide in which the purine nucleobase is specified as guanidine. CAS:7665-99-8|DrugBank:DB02315|HMDB:HMDB0001314|KEGG:C00942|KNApSAcK:C00019673|PDBeChem:35G|PDBeChem:PCG|PMID:24591051|PMID:24705918|Reaxys:586222 phenio.json 3',5'-Cyclic GMP|Cyclic GMP|Guanosine 3',5'-cyclic monophosphate|Guanosine 3',5'-cyclic phosphate|Guanosine cyclic monophosphate|cGMP|guanosine 3',5'-(hydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16356 3_STAR
CHEBI:16357 biolink:ChemicalSubstance 3-(pyrazol-1-yl)-L-alanine CAS:10162-27-3|KEGG:C01162|KNApSAcK:C00001390 phenio.json 3-(1H-pyrazol-1-yl)-L-alanine|3-(Pyrazol-1-yl)-L-alanine|3-(pyrazol-1-yl)-L-alanine|beta-Pyrazol-1-ylalanine|beta-pyrazol-1-ylalanine http://purl.obolibrary.org/obo/CHEBI_16357 3_STAR
CHEBI:16358 biolink:ChemicalSubstance (R)-vicianin CAS:155-57-7|KEGG:C01870|KNApSAcK:C00001458 phenio.json (2R)-[beta-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyloxy](phenyl)acetonitrile|(R)-Vicianin|(R)-vicianin http://purl.obolibrary.org/obo/CHEBI_16358 3_STAR
CHEBI:16359 biolink:ChemicalSubstance cholic acid A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12. CAS:81-25-4|DrugBank:DB02659|Drug_Central:3096|HMDB:HMDB0000619|KEGG:C00695|LINCS:LSM-5541|LIPID_MAPS_instance:LMST04010001|MetaCyc:CHOLATE|PDBeChem:CHD|PMID:22770225|Reaxys:2822009|Wikipedia:Cholic_Acid phenio.json (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid|3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid|3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid|CHOLIC ACID|Cholic acid|Cholsaeure http://purl.obolibrary.org/obo/CHEBI_16359 3_STAR
CHEBI:16362 biolink:ChemicalSubstance D-aldose KEGG:C00737 phenio.json D-Aldose|D-aldoses http://purl.obolibrary.org/obo/CHEBI_16362 3_STAR
CHEBI:16364 biolink:ChemicalSubstance pyridine-2,5-diol A dihydroxypyridine that is pyridine substituted by hydroxy groups at positions 2 and 5. CAS:5154-01-8|KEGG:C01059|Reaxys:108753 phenio.json 2,5-Dihydroxypyridine|2,5-dihydroxypyridine|pyridine-2,5-diol http://purl.obolibrary.org/obo/CHEBI_16364 3_STAR
CHEBI:16365 biolink:ChemicalSubstance quinolin-2-ol A monohydroxyquinoline carrying a hydroxy substituent at position 2. It is an intermediate metabolite produced duting the microbial degradation of quinoline. CAS:59-31-4|KEGG:C06338|PDBeChem:OCH|PMID:15202860|PMID:19856115|PMID:21558655|Reaxys:386285 phenio.json 2-Chinolinol|2-Hydroxyquinoline|2-Quinolinol|Quinolin-2-ol|quinolin-2-ol http://purl.obolibrary.org/obo/CHEBI_16365 3_STAR
CHEBI:16366 biolink:ChemicalSubstance anthocyanidin cation Any organic cation that is an aglycon of anthocyanin cation; they are oxygenated derivatives of flavylium (2-phenylchromenylium). HMDB:HMDB0031460|KEGG:C02003|MetaCyc:Anthocyanidins|Wikipedia:Anthocyanidins phenio.json Anthocyanidin|anthocyanidin cations|anthocyanidins http://purl.obolibrary.org/obo/CHEBI_16366 3_STAR
CHEBI:16367 biolink:ChemicalSubstance N(tele)-methyl-L-histidine residue DrugBank:DB04151|KEGG:C04087|PDBeChem:HIC|RESID:AA0317 phenio.json 1'-methyl-L-histidine|4-METHYL-HISTIDINE|N(tele)-methyl-L-histidine residue|Protein Ntau-methyl-L-histidine http://purl.obolibrary.org/obo/CHEBI_16367 3_STAR
CHEBI:16368 biolink:ChemicalSubstance 6-hydroxymellein An isochromane that is mellein bearing an additional hydroxy substituent at the 6-position. CAS:70901-60-9|KEGG:C02379|KNApSAcK:C00000554|PMID:7706125|Reaxys:3544385 phenio.json (-)-6-hydroxymellein|(3R)-3,4-dihydro-6,8-dihydroxy-3-methyl-isocoumarin|(3R)-6,8-dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one|(R)-(-)-6-hydroxymellein|(R)-3,4-dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one|(R)-6-hydroxymellein|3,4-Dihydro-6,8-dihydroxy-3-methylisocoumarin|6,8-Dihydroxy-3-methyl-3,4-dihydroisocoumarin|6-Hydroxymellein|6-hydroxymellein http://purl.obolibrary.org/obo/CHEBI_16368 3_STAR
CHEBI:16369 biolink:ChemicalSubstance 5-dehydro-4-deoxy-D-glucaric acid An oxo dicarboxylic acid that is derived from 4-deoxy-D-glucaric acid by oxidation of the hydroxy group at position 5 to give the corresponding ketone. KEGG:C00679|PDBeChem:GLR|Reaxys:7581871 phenio.json 3-deoxy-L-threo-hex-2-ulosaric acid|5-Dehydro-4-deoxy-D-glucarate http://purl.obolibrary.org/obo/CHEBI_16369 3_STAR
CHEBI:16370 biolink:ChemicalSubstance dihydrophloroglucinol KEGG:C06719|UM-BBD_compID:c0027 phenio.json 3,5-dihydroxycyclohex-2-en-1-one|Dihydrophloroglucinol http://purl.obolibrary.org/obo/CHEBI_16370 3_STAR
CHEBI:16374 biolink:ChemicalSubstance menaquinone Any member of the class of menaquinones that is 2-methyl-1,4-naphthoquinone with an unsaturated isoprenoid chain at the 3-position. CAS:11032-49-8|KEGG:C00828|Wikipedia:Vitamin_K2 phenio.json MK-n|Menaquinone|Menatetrenone|a menaquinone|menaquinone-n|vitamin K2 http://purl.obolibrary.org/obo/CHEBI_16374 3_STAR
CHEBI:16375 biolink:ChemicalSubstance D-cysteine An optically active form of cysteine having D-configuration. CAS:921-01-7|DrugBank:DB03201|ECMDB:ECMDB03417|Gmelin:363236|HMDB:HMDB0003417|KEGG:C00793|KNApSAcK:C00007323|PDBeChem:DCY|PMID:13761469|PMID:23340406|PMID:24800864|Reaxys:1721407|YMDB:YMDB00913 phenio.json (2S)-2-amino-3-mercaptopropanoic acid|(2S)-2-amino-3-sulfanylpropanoic acid|(S)-2-amino-3-mercaptopropanoic acid|D-Amino-3-mercaptopropionic acid|D-CYSTEINE|D-Cystein|D-Cysteine|D-Zystein|D-cysteine|DCY http://purl.obolibrary.org/obo/CHEBI_16375 3_STAR
CHEBI:16377 biolink:ChemicalSubstance sabinene hydrate CAS:15537-55-0|CAS:546-79-2|KEGG:C02462|KNApSAcK:C00000830 phenio.json 5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol|Sabinene hydrate|sabinene hydrate http://purl.obolibrary.org/obo/CHEBI_16377 3_STAR
CHEBI:16378 biolink:ChemicalSubstance threo-3-methyl-L-aspartate(2-) phenio.json (2S,3S)-2-amino-3-methylbutanedioate|(3S)-3-methyl-L-aspartate http://purl.obolibrary.org/obo/CHEBI_16378 3_STAR
CHEBI:16379 biolink:ChemicalSubstance Co-methyl-Co-5-hydroxybenzimidazolylcob(III)amide KEGG:C04665 phenio.json Co-methyl-Co-5-hydroxybenzimidazolylcob(III)amide http://purl.obolibrary.org/obo/CHEBI_16379 3_STAR
CHEBI:16380 biolink:ChemicalSubstance vindoline CAS:2182-14-1|KEGG:C01626|KNApSAcK:C00001784|KNApSAcK:C00024613 phenio.json Vindoline|methyl 4beta-acetyloxy-3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate http://purl.obolibrary.org/obo/CHEBI_16380 3_STAR
CHEBI:16381 biolink:ChemicalSubstance 2'-deoxyribonucleoside 5'-triphosphate KEGG:C00677 phenio.json 2'-deoxynucleoside 5'-(tetrahydrogen triphosphate)|2'-deoxyribonucleoside 5'-triphosphates|deoxynucleoside triphosphate http://purl.obolibrary.org/obo/CHEBI_16381 3_STAR
CHEBI:16382 biolink:ChemicalSubstance iodide Beilstein:3587184|CAS:20461-54-5|Gmelin:14912|KEGG:C00708|PDBeChem:IOD phenio.json I(-)|I-|IODIDE ION|Iodide|iodide|iodide(1-)|iodine anion http://purl.obolibrary.org/obo/CHEBI_16382 3_STAR
CHEBI:16383 biolink:ChemicalSubstance cis-aconitate(3-) An aconitate(3-) that is the conjugate base of cis-aconitic acid. Gmelin:329168|KEGG:C00417|MetaCyc:CIS-ACONITATE phenio.json (1Z)-prop-1-ene-1,2,3-tricarboxylate|cis-aconitate http://purl.obolibrary.org/obo/CHEBI_16383 3_STAR
CHEBI:16384 biolink:ChemicalSubstance trans-5-O-caffeoyl-D-quinic acid A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 5-hydroxy group of quinic acid. CAS:202650-88-2|CAS:906-33-2|KEGG:C17147|PMID:19022950|PMID:24079179|PMID:24619353|PMID:24842397|Reaxys:3039251 phenio.json (1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid|1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid|Caffeoyl quinic acid|Neochlorogenate|Neochlorogenic acid|trans-5-O-Caffeoyl-D-quinate|trans-Neochlorogenic acid http://purl.obolibrary.org/obo/CHEBI_16384 3_STAR
CHEBI:16385 biolink:ChemicalSubstance organic sulfide Compounds having the structure RSR (R =/= H). Such compounds were once called thioethers. KEGG:C00297 phenio.json RSR|Sulfide|Thioether|organic sulfides|sulfides|thioethers http://purl.obolibrary.org/obo/CHEBI_16385 3_STAR
CHEBI:16387 biolink:ChemicalSubstance (R)-N-methylcoclaurine The (R)-enantiomer of N-methylcoclaurine. CAS:5096-70-8|KEGG:C05243|KNApSAcK:C00025619 phenio.json (1R)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol|(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol|(R)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol|(R)-N-Methylcoclaurine|(R)-N-methylcoclaurine http://purl.obolibrary.org/obo/CHEBI_16387 3_STAR
CHEBI:16388 biolink:ChemicalSubstance 4-hydroxymandelic acid A 2-hydroxy carboxylic acid that is mandelic acid bearing a phenolic hydroxy substituent at position 4. CAS:1198-84-1|Gmelin:486823|HMDB:HMDB0000822|KEGG:C11527|PMID:22770225|Reaxys:2365374 phenio.json 4-Hydroxymandelic acid|4-hydroxymandelic acid|4-hydroxyphenylglycolic acid|hydroxy(4-hydroxyphenyl)acetic acid http://purl.obolibrary.org/obo/CHEBI_16388 3_STAR
CHEBI:16389 biolink:ChemicalSubstance ubiquinones Any benzoquinone derived from 2,3-dimethoxy-5-methylbenzoquinone; one of a group of naturally occurring homologues. The redox-active quinoid moiety usually carries a polyprenoid side chain at position 6, the number of isoprenoid units in which is species-specific. Ubiquinones are involved in the control of mitochondrial electron transport, and are also potent anti-oxidants. CAS:1339-63-5|KEGG:C00399|PMID:15788391|PMID:7599208 phenio.json CoQ|Coenzym Q|Coenzyme Q|Koenzym Q|Q|Ubichinon|Ubiquinone|Ubiquinones|a ubiquinone|coenzyme Q|coenzymes Q|mitochondrial ubiquinone|mitochondrial ubiquinones|mitoquinones http://purl.obolibrary.org/obo/CHEBI_16389 3_STAR
CHEBI:16390 biolink:ChemicalSubstance 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanic acid Beilstein:3224679|CAS:911-40-0|KEGG:C04643|LIPID_MAPS_instance:LMST04010184 phenio.json (3alpha,5beta,12alpha)-3,12-dihydroxy-7-oxocholan-24-oic acid|3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate|3alpha,12alpha-dihydroxy-7-keto-5beta-cholanoic acid|3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oic acid|3alpha,12alpha-diol-7-one-5beta-cholanoic acid|7-ketodeoxycholic acid|7-oxodeoxycholic acid http://purl.obolibrary.org/obo/CHEBI_16390 3_STAR
CHEBI:16392 biolink:ChemicalSubstance D-xylono-1,4-lactone Beilstein:82061|CAS:15384-37-9 phenio.json (3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one|D-Xylono-1,4-lactone|D-xylono-1,4-lactone http://purl.obolibrary.org/obo/CHEBI_16392 3_STAR
CHEBI:16393 biolink:ChemicalSubstance sphingosine A sphing-4-enine in which the double bond is trans. Beilstein:4676153|CAS:123-78-4|DrugBank:DB03203|HMDB:HMDB0000252|KEGG:C00319|LIPID_MAPS_instance:LMSP01010001|PDBeChem:SQS|PMID:10453988|PMID:16341241|PMID:24731183|PMID:8482346|Reaxys:1727294 phenio.json (2S,3R)-(E)-2-amino-1,3-dihydroxy-4-octadecene|(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-ene-1-ol|(2S,3R,4E)-2-amino-4-octadecene-1,3-diol|(2S,3R,4E)-2-aminooctadec-4-ene-1,3-diol|(2S,3R,E)-2-aminooctadec-4-ene-1,3-diol|(4E)-sphing-4-enine|(4E)-sphingenine|(E)-2-amino-4-octadecan-1,3-diol|(E)-D-erythro-4-octadecene-1,3-diol|2-amino-4-octadecene-1,3-diol|C18 sphingosine|D-(+)-erythro-1,3-dihydroxy-2-amino-4-trans-octadecene|D-erythro-sphingosine|Sph|Sphing-4-enine|Sphingenine|Sphingoid|Sphingosine|Sphingosine d18:1|sphingosin|trans-4-sphingenine|trans-D-erythro-2-amino-4-octadecene-1,3-diol http://purl.obolibrary.org/obo/CHEBI_16393 3_STAR
CHEBI:16394 biolink:ChemicalSubstance N-methylanthranilic acid An aromatic amino acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is substituted by a methyl group. CAS:119-68-6|HMDB:HMDB0032609|KEGG:C03005|LINCS:LSM-20003|PMID:14267380|PMID:17404973|PMID:17404992|Reaxys:2208135 phenio.json 2-(Methylamino)benzoic acid|2-(methylamino)benzoic acid|N-Methyl-2-aminobenzoic acid|N-Methyl-o-aminobenzoic acid|N-Methylanthranilic acid|o-(Methylamino)benzoic acid http://purl.obolibrary.org/obo/CHEBI_16394 3_STAR
CHEBI:16395 biolink:ChemicalSubstance N-acetoxy-1,1'-biphenyl-4-amine An N-acetoxyarylamine having 1,1'-biphenyl-4-amine as the arylamine component. CAS:119273-47-1|KEGG:C03621|Reaxys:3545465 phenio.json N-Acetoxy-4-aminobiphenyl|N-acetoxy-4-aminobiphenyl|N-acetyloxy-[1,1'-biphenyl]-4-amine|N-hydroxy-4-aminobiphenyl O-acetylated conjugate|O-acetyl-N-([1,1'-biphenyl]-4-yl)hydroxylamine http://purl.obolibrary.org/obo/CHEBI_16395 3_STAR
CHEBI:16397 biolink:ChemicalSubstance formamide The simplest monocarboxylic acid amide, obtained by formal condensation of formic acid with ammonia. The parent of the class of formaldehydes. CAS:75-12-7|Gmelin:824|HMDB:HMDB0001536|KEGG:C00488|MetaCyc:FORMAMIDE|PDBeChem:ARF|PMID:11282235|PMID:11545392|PMID:12115814|PMID:14750843|PMID:15082074|PMID:17184725|PMID:19334838|PMID:21215846|PMID:21229996|PMID:21573300|PMID:21647491|PMID:21647492|PMID:21769603|PMID:21932847|Reaxys:505995|UM-BBD_compID:c0796|Wikipedia:Formamide phenio.json Ameisensaeureamid|FORMAMIDE|Formamid|Formamide|Methanamid|Methanamide|carbamaldehyde|formamide|formimidic acid http://purl.obolibrary.org/obo/CHEBI_16397 3_STAR
CHEBI:16398 biolink:ChemicalSubstance D-threonine An optically active form of threonine having D-configuration. Beilstein:4656043|CAS:632-20-2|DrugBank:DB03700|ECMDB:ECMDB21519|Gmelin:874136|HMDB:HMDB0013775|KEGG:C00820|PDBeChem:DTH|PMID:15375647|PMID:17081141|PMID:22176976|Reaxys:1721643|YMDB:YMDB00802 phenio.json (2R,3S)-2-amino-3-hydroxybutanoic acid|D-2-Amino-3-hydroxybutyric acid|D-THREONINE|D-Threonin|D-Threonine|D-threonine|DTH http://purl.obolibrary.org/obo/CHEBI_16398 3_STAR
CHEBI:16399 biolink:ChemicalSubstance N(3)-oxalyl-L-2,3-diaminopropionic acid An N(beta)-acyl-L-2,3-diaminopropionic acid in which the acyl group is oxalyl. CAS:5302-45-4|KEGG:C04209|KNApSAcK:C00001339 phenio.json (2-Amino-2-carboxyethyl)-L-oxamic acid|(2S)-2-amino-3-[(carboxycarbonyl)amino]propanoic acid|3-N-Oxalyl-L-2,3-diaminopropanoic acid|3-[(carboxycarbonyl)amino]-L-alanine|L-Dencichin|L-alpha-Amino-beta-oxalylaminopropionic acid|N3-Oxalyl-L-2,3-diaminopropanoate|beta-N-Oxalyl-L-alpha,beta-diaminopropionic acid|beta-N-Oxalylamino-L-alanine http://purl.obolibrary.org/obo/CHEBI_16399 3_STAR
CHEBI:16400 biolink:ChemicalSubstance gossypetin A hexahydroxyflavone having the hydroxy groups placed at the 3-, 3'-, 4'-, 5- 7- and 8-positions. CAS:489-35-0|KEGG:C04109|KNApSAcK:C00004721|LINCS:LSM-36971|LIPID_MAPS_instance:LMPK12113231|MetaCyc:334578-HEXAHYDROXYFLAVONE|PMID:19895818|PMID:22953867|PMID:2676226|PMID:8424824|Patent:JP55054883|Patent:WO0103681|Reaxys:332194|Wikipedia:Gossypetin phenio.json 2-(3,4-dihydroxyphenyl)-3,5,7,8-tetrahydroxy-4H-chromen-4-one|3,3',4',5,7,8-Hexahydroxyflavone|Articulatidin|Equisporol|Gossypetin http://purl.obolibrary.org/obo/CHEBI_16400 3_STAR
CHEBI:16404 biolink:ChemicalSubstance 3-oxoglycyrrhetinic acid KEGG:C02943 phenio.json 3,11-dioxoolean-12-en-30-oic acid|3-Oxoglycyrrhetinate http://purl.obolibrary.org/obo/CHEBI_16404 3_STAR
CHEBI:16405 biolink:ChemicalSubstance beta-D-Xylp-(1->6)-beta-D-Glcp A beta-D-Xylp-(1->6)-D-Glcp in which the carbon bearing the anomeric hydroxy group has beta configuration. GlyGen:G74556OQ|GlyTouCan:G74556OQ|KEGG:C11535|KEGG:G00322 phenio.json 6-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranose|6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranose|WURCS=2.0/2,2,1/[a2122h-1b_1-5][a212h-1b_1-5]/1-2/a6-b1|a 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranose|beta-D-xylopyranosyl-(1->6)-beta-D-glucopyranose|beta-Primeverose http://purl.obolibrary.org/obo/CHEBI_16405 3_STAR
CHEBI:16406 biolink:ChemicalSubstance 5'-acylphosphoadenosine phenio.json 5'-acylphosphoadenosines http://purl.obolibrary.org/obo/CHEBI_16406 3_STAR
CHEBI:16408 biolink:ChemicalSubstance vomilenine An indole alkaloid that is vinorine bearing a hydroxy substituent at position 21. CAS:6880-50-8|KEGG:C01761|KNApSAcK:C00024322|KNApSAcK:C00024338|PMID:10234858|PMID:11937349|PMID:18205139|Patent:US2007212745|Reaxys:53093|Reaxys:6985044|Reaxys:9588723 phenio.json 21alpha-hydroxy-22-norajmala-1,19-dien-17alpha-yl acetate|Vomilenine|vomilenine http://purl.obolibrary.org/obo/CHEBI_16408 3_STAR
CHEBI:16409 biolink:ChemicalSubstance 5-pyridoxic acid A pyridinemonocarboxylic acid that is pyridine-3-carboxylic acid substituted by a hydroxy group at position 5, hydroxy methyl group at position 4 and a methyl group at position 6. AGR:FNI91003265|CAS:524-07-2|KEGG:C04773|PMID:13610871|Reaxys:162958 phenio.json 5-Pyridoxic acid|5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylic acid|5-hydroxy-4-(hydroxymethyl)-6-methylnicotinic acid|5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylic acid|5-pyridoxic acid http://purl.obolibrary.org/obo/CHEBI_16409 3_STAR
CHEBI:16410 biolink:ChemicalSubstance pyridoxamine A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 3, an aminomethyl group at position 4, a hydroxymethyl group at position 5 and a methyl group at position 2. The 4-aminomethyl form of vitamin B6, it is used (in the form of the hydrochloride salt) for treatment of diabetic nephropathy. CAS:85-87-0|Chemspider:1023|FooDB:FDB021819|Gmelin:774473|HMDB:HMDB0001431|KEGG:C00534|KNApSAcK:C00007504|MetaCyc:PYRIDOXAMINE|PDBeChem:PXM|PMID:1400785|PMID:15369738|PMID:18434162|PMID:19212411|PMID:23504149|PMID:23841818|PMID:24094054|PMID:2580028|PMID:33535220|PMID:33665688|PMID:7710125|PMID:8054960|Reaxys:6993|Wikipedia:Pyridoxamine phenio.json 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL|4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol|PM|Pyridoxamine http://purl.obolibrary.org/obo/CHEBI_16410 3_STAR
CHEBI:16411 biolink:ChemicalSubstance indole-3-acetic acid A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. BPDB:1106|CAS:87-51-4|DrugBank:DB07950|Gmelin:143197|HMDB:HMDB0000197|KEGG:C00954|KNApSAcK:C00000100|PDBeChem:IAC|PMID:13610897|PMID:23545355|PMID:24285754|Reaxys:143358|Wikipedia:Indole-3-acetic_acid phenio.json (Indol-3-yl)acetate|1H-indol-3-ylacetic acid|2-(indol-3-yl)ethanoic acid|3-Indolylessigsaeure|IAA|IES|Indole-3-acetic acid|Indoleacetic acid|heteroauxin http://purl.obolibrary.org/obo/CHEBI_16411 3_STAR
CHEBI:16412 biolink:ChemicalSubstance lipopolysaccharide Liposaccharide natural compounds consisting of a trisaccharide repeating unit (two heptose units and octulosonic acid) with oligosaccharide side chains and 3-hydroxytetradecanoic acid units (they are a major constituent of the cell walls of Gram-negative bacteria). KEGG:C00338|PMID:15589368|PMID:24186868|PMID:24506665|PMID:24642373|PMID:24659348 phenio.json LPS|Lipopolysaccharide|lipopolysaccharides http://purl.obolibrary.org/obo/CHEBI_16412 3_STAR
CHEBI:16413 biolink:ChemicalSubstance but-2-yne-1,4-diol A butynediol that is but-2-yne substituted by hydroxy groups at positions 1 and 4. CAS:110-65-6|KEGG:C02497|Reaxys:1071237 phenio.json 1,4-dihydroxy-2-butyne|1,4-dimethoxyacetylene|2-Butyne-1,4-diol|2-butyne-1,4-diol|bis(hydroxymethyl)acetylene|but-2-yne-1,4-diol http://purl.obolibrary.org/obo/CHEBI_16413 3_STAR
CHEBI:16414 biolink:ChemicalSubstance L-valine The L-enantiomer of valine. CAS:72-18-4|DrugBank:DB00161|Drug_Central:4128|Gmelin:2827|HMDB:HMDB0000883|KEGG:C00183|KEGG:D00039|KNApSAcK:C00001398|MetaCyc:VAL|PDBeChem:VAL|PMID:14608070|PMID:17670823|PMID:21706252|PMID:22138982|PMID:22287678|PMID:22585822|Reaxys:1721136|Wikipedia:L-valine phenio.json (2S)-2-amino-3-methylbutanoic acid|(S)-valine|2-Amino-3-methylbutyric acid|L-(+)-alpha-Aminoisovaleric acid|L-Valin|L-Valine|L-alpha-Amino-beta-methylbutyric acid|L-valine|V|VALINE|Val http://purl.obolibrary.org/obo/CHEBI_16414 3_STAR
CHEBI:16415 biolink:ChemicalSubstance protopine A dibenzazecine alkaloid isolated from Fumaria vaillantii. CAS:130-86-9|KEGG:C05189|KNApSAcK:C00001906|LINCS:LSM-3874|PMID:22029392 phenio.json 4,6,7,14-Tetrahydro-5-methyl-bis(1,3)benzodioxolo(4,5-c-5',6'-g)azecin-13(5H)-one|7-methyl-2,3:9,10-bis[methylenebis(oxy)]-7,13a-secoberbin-13a-one|7-methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one|Corydinine|Fumarine|Macleyine|Protopine|protopine http://purl.obolibrary.org/obo/CHEBI_16415 3_STAR
CHEBI:16419 biolink:ChemicalSubstance limonoic acid KEGG:C01593 phenio.json (1S,3'S,3aR,5aR,6R,7S,9aR,9bR)-1-(carboxymethyl)-7-[(R)-3-furyl(hydroxy)methyl]-9b-(hydroxymethyl)-3,3,5a,7-tetramethyl-5-oxodecahydro-3H-spiro[naphtho[1,2-c]furan-6,2'-oxirane]-3'-carboxylic acid|Limonoate http://purl.obolibrary.org/obo/CHEBI_16419 3_STAR
CHEBI:164200 biolink:ChemicalSubstance triclosan An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes. CAS:3380-34-5|DrugBank:DB08604|Drug_Central:3631|KEGG:C12059|KEGG:D06226|LINCS:LSM-2929|PDBeChem:TCL|PMID:11175846|PMID:11418506|PMID:15269185|PMID:17567585|PMID:18837732|PMID:18937596|PMID:19388793|PMID:21094257|PMID:21166831|PMID:21833630|PMID:22105314|PMID:22561896|PMID:22746545|PMID:23146048|PMID:23161706|PMID:23192912|PMID:23282071|PMID:23313217|PMID:23320506|PMID:23368947|PMID:23435526|PMID:23561013|PMID:23592331|PMID:23614034|PMID:23648333|PMID:23791346|PMID:23831729|PMID:23890965|PMID:23927454|PMID:24079913|PMID:25179274|PMID:28236114|PMID:28339349|PMID:28632490|PMID:28741979|PMID:29030459|PMID:29067681|PMID:29100157|PMID:29109308|PMID:29111213|PMID:29111444|PMID:29131715|PMID:29150338|PMID:29154092|PMID:29172042|PMID:29175687|PMID:29197580|PMID:29205483|PMID:29214481|PMID:29232866|PMID:29277667|PMID:29332277|PMID:29340711|PMID:29348637|Patent:NL6401526|Patent:US3506720|Patent:US3629477|Reaxys:2057142|Wikipedia:Triclosan phenio.json 2,4,4'-Trichloro-2'-hydroxydiphenyl ether|5-Chloro-2-(2,4-dichloro-phenoxy)-phenol|5-chloro-2-(2,4-dichlorophenoxy)phenol|Triclosan|triclosan|triclosanum http://purl.obolibrary.org/obo/CHEBI_164200 3_STAR
CHEBI:16421 biolink:ChemicalSubstance 1-deoxy-D-altro-heptulose 7-phosphate KEGG:C04359 phenio.json 1-Deoxy-D-altro-heptulose 7-phosphate|1-deoxy-7-O-phosphono-D-altro-hept-2-ulose|1-deoxy-D-altro-heptulose 7-(dihydrogen phosphate)|1-deoxy-D-altro-heptulose 7-phosphate http://purl.obolibrary.org/obo/CHEBI_16421 3_STAR
CHEBI:16422 biolink:ChemicalSubstance androst-4-ene-3,17-dione A 3-oxo Delta(4)-steroid that is androst-4-ene substituted by oxo groups at positions 3 and 17. It is a steroid hormone synthesized in the adrenal glands and gonads. CAS:63-05-8|DrugBank:DB01536|Drug_Central:215|Gmelin:961672|HMDB:HMDB0000053|KEGG:C00280|KEGG:D00051|KNApSAcK:C00003644|LIPID_MAPS_instance:LMST02020007|MetaCyc:ANDROST4ENE|PDBeChem:ASD|PMID:24423344|PMID:24740546|Reaxys:2059239|Wikipedia:Androstenedione phenio.json 4-ANDROSTENE-3-17-DIONE|4-Androstene-3,17-dione|Androst-4-ene-3,17-dione|Androstenedione|Delta(4)-androsten-3,17-dione|Delta(4)-androstene-3,17-dione|androst-4-ene-3,17-dione http://purl.obolibrary.org/obo/CHEBI_16422 3_STAR
CHEBI:16423 biolink:ChemicalSubstance (9Z)-octadec-9-en-12-ynoic acid An octadecenynoic acid having a cis-double bond at C-9 and a triple bond at position 12. CAS:2277-31-8|KEGG:C07289|KNApSAcK:C00001278|LIPID_MAPS_instance:LMFA01030742|PMID:17329262|PMID:17805875|PMID:2822134|PMID:4086624|PMID:4676643|PMID:5028298|Reaxys:1911942 phenio.json (9Z)-octadec-9-en-12-ynoic acid|(Z)-9-Octadecen-12-ynoic acid|(Z)-octadec-9-en-12-ynoic acid|9c12a-18:2|Crepenynic acid|Crepenynsaeure|cis-9-Octadecen-12-ynoic acid|cis-Octadec-9-en-12-in-1-saeure http://purl.obolibrary.org/obo/CHEBI_16423 3_STAR
CHEBI:16424 biolink:ChemicalSubstance phenylacetaldehyde An aldehyde that consists of acetaldehyde bearing a methyl substituent; the parent member of the phenylacetaldehyde class of compounds. CAS:122-78-1|DrugBank:DB02178|HMDB:HMDB0006236|KEGG:C00601|KNApSAcK:C00007535|MetaCyc:PHENYLACETALDEHYDE|PDBeChem:HY1|PMID:14698165|PMID:16557466|PMID:18954073|PMID:21495722|PMID:21627324|Reaxys:385791|UM-BBD_compID:c0210|Wikipedia:Phenylacetaldehyde phenio.json 1-Oxo-2-phenylethane|2-Phenylethanal|2-phenylacetaldehyde|Benzacetaldehyde|Benzeneacetaldehyde|Hyacinthin|PHENYLACETALDEHYDE|Phenacetaldehyde|Phenylacetaldehyde|Phenylacetic aldehyde|alpha-Tolualdehyde|alpha-phenylacetaldehyde|alpha-tolualdehyde|alpha-toluic aldehyde|phenylacetaldehyde http://purl.obolibrary.org/obo/CHEBI_16424 3_STAR
CHEBI:16425 biolink:ChemicalSubstance 16-epivellosimine An indole alkaloid that is vellosimine in which the carbon bearing the aldehyde function has been epimerised. KEGG:C11633|MetaCyc:16-EPIVELLOSIMINE|PDBeChem:EVS|PMID:17404987|PMID:20392128|Reaxys:6894765 phenio.json 16-Epivellosimine|16-episarpagan-17-al|16-epivellosimine http://purl.obolibrary.org/obo/CHEBI_16425 3_STAR
CHEBI:16426 biolink:ChemicalSubstance 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate KEGG:C01267|KNApSAcK:C00007308 phenio.json 3-(1H-imidazol-4-yl)-2-oxopropyl dihydrogen phosphate|3-(Imidazol-4-yl)-2-oxopropyl phosphate|Imidazole-acetol phosphate http://purl.obolibrary.org/obo/CHEBI_16426 3_STAR
CHEBI:16427 biolink:ChemicalSubstance mono(glucosyluronic acid)bilirubin CAS:27071-67-6|KEGG:C03374 phenio.json 1-O-{3-[8-(carboxyethyl)-2,17-diethenyl-2,7,13,18-tetramethyl-1,19-dioxo-21,24-dihydrobila-4,15-dien-12-yl]propanoyl}-beta-D-glucopyranuronic acid|Bilirubin glucuronate|Bilirubin glucuronide|Bilirubin monoglucuronide|Bilirubin-glucuronoside http://purl.obolibrary.org/obo/CHEBI_16427 3_STAR
CHEBI:16428 biolink:ChemicalSubstance 4-coumaroylshikimic acid KEGG:C02947 phenio.json (3R,4R,5R)-3,4-dihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohex-1-ene-1-carboxylic acid|4-Coumaroylshikimate|trans-5-O-(4-Coumaroyl)shikimate|trans-5-O-(4-coumaroyl)shikimate http://purl.obolibrary.org/obo/CHEBI_16428 3_STAR
CHEBI:16430 biolink:ChemicalSubstance precorrin-4 The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which four methyl groups have been introduced at positions 2, 7, 17 and 20 of the tetrapyrrole framework, together with ring contraction of the framework forming a bond between C-1 and C-19, leaving C-20 as part of an acetyl group bonded to C-1. Beilstein:7070412|KEGG:C06407 phenio.json 3,3',3'',3'''-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid|3-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid|Precorrin 4 http://purl.obolibrary.org/obo/CHEBI_16430 3_STAR
CHEBI:16431 biolink:ChemicalSubstance limonene 1,2-epoxide An epoxide resulting from the formal epoxidation of the cyclic double bond of limonene. CAS:1195-92-2|HMDB:HMDB0035158|PMID:21925621|Reaxys:111814 phenio.json 1,2-epoxy-p-menth-8-ene|1,2-epoxylimonene|1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane|4-isopropenyl-1-methyl-7-oxabicyclo[4.1.0]heptane|limonene 1,2-epoxide|limonene 1,2-oxide http://purl.obolibrary.org/obo/CHEBI_16431 3_STAR
CHEBI:16433 biolink:ChemicalSubstance trans-caffeic acid The trans-isomer of caffeic acid. CAS:331-39-5|CAS:501-16-6|HMDB:HMDB0001964|KEGG:C01197|KEGG:C01481|KNApSAcK:C00000615|PDBeChem:DHC|PMID:21503726|Reaxys:1954563|Wikipedia:Caffeic_acid phenio.json (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid|3,4-Dihydroxy-trans-cinnamate|3,4-Dihydroxycinnamic acid|3,4-dihydroxy-trans-cinnamate|CAFFEIC ACID|Caffeic acid|trans-Caffeate|trans-caffeate http://purl.obolibrary.org/obo/CHEBI_16433 3_STAR
CHEBI:16434 biolink:ChemicalSubstance N-hydroxy-4-acetylaminobiphenyl A hydroxamic acid that is biphenyl-4-amine bearing N-hydroxy and N-acetyl substituents. Beilstein:2807692|CAS:4463-22-3|KEGG:C04081|PMID:11473382|PMID:4987694|PMID:6644748|PMID:6765899|PMID:9586769|Reaxys:2807692 phenio.json N-(4-biphenylyl)acetohydroxamic acid|N-([1,1'-biphenyl]-4-yl)-N-hydroxyacetamide|N-4-Biphenylylacetohydroxamic acid|N-Acetyl-4-biphenylhydroxylamine|N-Hydroxy-4-acetamidobiphenyl|N-Hydroxy-4-acetamidodiphenyl|N-Hydroxy-4-acetylaminobiphenyl|N-Hydroxy-N-4-biphenylacetamide|N-hydroxy-4-acetylaminobiphenyl http://purl.obolibrary.org/obo/CHEBI_16434 3_STAR
CHEBI:16435 biolink:ChemicalSubstance UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine A UDP-amino sugar having N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine as the sugar component. phenio.json UDP-N-acetylglucosamine enol-pyruvic acid|uridine 5'-{3-[2-acetamido-3-O-(1-carboxyethenyl)-2-deoxy-D-glucopyranosyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_16435 3_STAR
CHEBI:16436 biolink:ChemicalSubstance CDP-choline A member of the class of phosphocholines that is the choline ester of CDP. It is an intermediate obtained in the biosynthetic pathway of structural phospholipids in cell membranes. CAS:987-78-0|DrugBank:DB04290|Drug_Central:664|HMDB:HMDB0001413|KEGG:C00307|KEGG:D00057|KNApSAcK:C00007231|PDBeChem:CDC|PMID:10701532|PMID:10796523|PMID:36524681|PMID:37196134|PMID:37449595|PMID:38478324|PMID:38479101|PMID:38484849|PMID:38760804|PMID:38776883|PMID:8709678|Reaxys:4170138|Wikipedia:Citicoline phenio.json 5'-O-[hydroxy({[2-(trimethylammonio)ethoxy]phosphinato}oxy)phosphoryl]cytidine|CDP-colina|Citicoline|Cytidindiphosphocholin|Cytidine 5'-diphosphocholine|[2-CYTIDYLATE-O'-PHOSPHONYLOXYL]-ETHYL-TRIMETHYL-AMMONIUM|citicolina|citicolinum|citidin difosfato de colina|cyticholine|cytidine 5'-(choline diphosphate)|cytidine 5'-(cholinyl pyrophosphate)|cytidine 5'-diphosphoric choline http://purl.obolibrary.org/obo/CHEBI_16436 3_STAR
CHEBI:16437 biolink:ChemicalSubstance N-acetyl-L-histidine A histidine derivative that is L-histidine having an acetyl substituent on the alpha-nitrogen. CAS:2497-02-1|HMDB:HMDB0032055|KEGG:C02997|MetaCyc:CPD-424|PMID:26800898|PMID:5949241|PMID:7357028|PMID:9084403|PMID:9770642|Reaxys:748618 phenio.json N(2)-acetyl-L-histidine|N-Acetyl-L-histidine|N-Acetylhistidine|N-Hydroxy-aabp|N-acetyl histidine|N-alpha-L-histidine http://purl.obolibrary.org/obo/CHEBI_16437 3_STAR
CHEBI:16439 biolink:ChemicalSubstance N-(carboxymethyl)-D-alanine A derivative of D-alanine having a carboxymethyl substituent on the alpha-nitrogen. KEGG:C03790 phenio.json N-(Carboxymethyl)-D-alanine|N-(carboxymethyl)-D-alanine|Strombine http://purl.obolibrary.org/obo/CHEBI_16439 3_STAR
CHEBI:16440 biolink:ChemicalSubstance N-methyl-L-glutamic acid A N-methyl-L-alpha-amino acid with L-glutamic acid as the amino acid component. CAS:35989-16-3|KEGG:C01046|PMID:5905132|Reaxys:2357675|Wikipedia:N-Methyl-L-glutamic_acid phenio.json (2S)-2-(methylamino)pentanedioic acid|N-Methyl-L-glutamic acid|N-methyl-L-glutamic acid|N-methylglutamic acid http://purl.obolibrary.org/obo/CHEBI_16440 3_STAR
CHEBI:16441 biolink:ChemicalSubstance linamarin CAS:554-35-8|KEGG:C01594|KNApSAcK:C00001446 phenio.json 1-cyano-1-methylethyl beta-D-glucoside|2-(beta-D-glucopyranosyloxy)-2-methylpropanenitrile|Linamarin|Phaseolunatin|linamarin http://purl.obolibrary.org/obo/CHEBI_16441 3_STAR
CHEBI:16443 biolink:ChemicalSubstance D-tagatose The D-enantiomer of tagatose. HMDB:HMDB0003418|PMID:17492284|PMID:24419630|PMID:24979201|PMID:9465271|Reaxys:1724555 phenio.json D-Tag|D-lyxo-hex-2-ulose|D-tagatose http://purl.obolibrary.org/obo/CHEBI_16443 3_STAR
CHEBI:16444 biolink:ChemicalSubstance 2-acetyllactic acid A derivative of butyric acid having methyl, hydroxy and oxo substituents at the 2-, 2- and 3-positions respectively. KEGG:C00900|KNApSAcK:C00019658 phenio.json 2-Acetolactate|2-hydroxy-2-methyl-3-oxobutanoic acid http://purl.obolibrary.org/obo/CHEBI_16444 3_STAR
CHEBI:16445 biolink:ChemicalSubstance stipitatonic acid CAS:606-39-3|KEGG:C02080 phenio.json 3,6-dihydroxy-5-oxo-1,3,6-cycloheptatriene-1,2-dicarboxylic anhydride|3,6-dihydroxy-5-oxocyclohepta-1,3,6-triene-1,2-dicarboxylic anhydride|4,7-dihydroxy-1H-cyclohepta[c]furan-1,3,6-trione|Stipitatonate|stipitatonic acid http://purl.obolibrary.org/obo/CHEBI_16445 3_STAR
CHEBI:16446 biolink:ChemicalSubstance N-acetyl-alpha-D-glucosamine 1-phosphate A 2-acetamido-2-deoxy-D-glucopyranose 1-phosphate having alpha-configuration at the anomeric centre. Beilstein:39843|HMDB:HMDB0001367|KEGG:C04501|PDBeChem:GN1|PMID:12626405|PMID:18048019|Reaxys:39843 phenio.json 1-(N-acetyl-alpha-D-glucosamine) phosphate|2-(ACETYLAMINO)-2-DEOXY-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE|2-N-acetylglucosamine 1-phosphate|2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose|2-acetamido-2-deoxy-alpha-D-glucopyranose 1-(dihydrogen phosphate)|GlcNAc1alpha-phosphate|N-Acetyl-alpha-D-glucosamine 1-phosphate|N-acetyl-alpha-D-glucosamine 1-(dihydrogen phosphate)|N-acetyl-alpha-D-glucosamine 1-phosphate|N-acetylglucosamine-1-phosphate|alpha-GlcNAc-(1->O)PO3H2|alpha-GlcNAc-1-P http://purl.obolibrary.org/obo/CHEBI_16446 3_STAR
CHEBI:16449 biolink:ChemicalSubstance alanine An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2. CAS:302-72-7|Drug_Central:4306|Gmelin:2449|KEGG:C01401|PMID:17439666|PMID:22264337|Reaxys:635807|Wikipedia:Alanine phenio.json 2-Aminopropanoic acid|2-Aminopropionic acid|2-aminopropanoic acid|A|ALA|Alanin|Alanine|alanina|alanine http://purl.obolibrary.org/obo/CHEBI_16449 3_STAR
CHEBI:16450 biolink:ChemicalSubstance 2'-deoxyuridine A pyrimidine 2'-deoxyribonucleoside having uracil as the nucleobase. CAS:951-78-0|DrugBank:DB02256|HMDB:HMDB0000012|KEGG:C00526|KNApSAcK:C00019697|MetaCyc:DEOXYURIDINE|PDBeChem:DUR|PMID:24463401|Reaxys:24433|Wikipedia:Deoxyuridine phenio.json 1-(2-deoxy-beta-D-erythro-pentofuranosyl)uracil|2'-Deoxyuridine|2'-deoxyuridine|2-Deoxyuridine|Deoxyuridine|dU http://purl.obolibrary.org/obo/CHEBI_16450 3_STAR
CHEBI:16452 biolink:ChemicalSubstance oxaloacetate(2-) A C4-dicarboxylate resuting from deprotonation of both carboxy groups of oxaloacetic acid. CAS:149-63-3|Gmelin:1242579|KEGG:C00036|MetaCyc:OXALACETIC_ACID|PMID:19793063|PMID:21098488|PMID:21175886|PMID:21178163|PMID:21185899|PMID:21434608|PMID:21495723|PMID:21745184|Reaxys:3605372 phenio.json 2-oxobutanedioate|oxalacetate|oxaloacetate|oxaloacetate dianion|oxobutanedioate|oxobutanedioic acid, ion(2-)|oxosuccinate http://purl.obolibrary.org/obo/CHEBI_16452 3_STAR
CHEBI:16453 biolink:ChemicalSubstance 1,4,5,6-tetrahydro-6-oxonicotinic acid Beilstein:472164|CAS:5155-13-5|KEGG:C04226 phenio.json 1,4,5,6-Tetrahydro-6-oxonicotinate|1,4,5,6-Tetrahydro-6-oxonicotinic acid|6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_16453 3_STAR
CHEBI:16454 biolink:ChemicalSubstance pantothenate A monocarboxylic acid anion that is the conjugate base of pantothenic acid, obtained by deprotonation of the carboxy group. PMID:21463532 phenio.json 3-(2,4-dihydroxy-3,3-dimethylbutanamido)propanoate|N-(2,4-dihydroxy-3,3-dimethylbutanoyl)-beta-alaninate|pantothenate http://purl.obolibrary.org/obo/CHEBI_16454 3_STAR
CHEBI:16455 biolink:ChemicalSubstance 4,4-dimethyl-5alpha-cholest-7-en-3beta-ol A cholestanoid that is 5alpha-cholest-7-ene substituted by a beta-hydroxy group at position 3 and two methyl groups at position 4. KEGG:C04530 phenio.json 4,4-Dimethyl-5alpha-cholest-7-en-3beta-ol|4,4-dimethyl-5alpha-cholest-7-en-3beta-ol http://purl.obolibrary.org/obo/CHEBI_16455 3_STAR
CHEBI:16457 biolink:ChemicalSubstance S,S-dimethyl-beta-propiothetin A sulfonium betaine obtained by deprotonation of the carboxy group of 3-dimethylsulfoniopropionic acid. CAS:7314-30-9|CBA:374871|KEGG:C04022|KNApSAcK:C00001355|MetaCyc:SS-DIMETHYL-BETA-PROPIOTHETIN|PMID:10889264|PMID:12223879|PMID:1295491|PMID:13901535|PMID:14004329|PMID:16349544|PMID:18914096|PMID:1919809|PMID:2090842|PMID:5961650|PMID:7659747|PMID:8029347|PMID:8990271|PMID:9449841|PMID:9576797|Reaxys:3934014 phenio.json 3-(dimethylsulfonio)propanoate|3-dimethylsulfoniopropionate|DMPT|DMSP|Dimethylpropiothetin|Dimethylsulfoniopropionate|S,S-Dimethyl-beta-propiothetin|S,S-dimethyl-beta-propiothetin|S-Dimethylsulfonium propionic acid|beta-dimethylsulfoniopropionate|dimethyl-beta-propiothetin http://purl.obolibrary.org/obo/CHEBI_16457 3_STAR
CHEBI:16458 biolink:ChemicalSubstance triacetate lactone CAS:675-10-5|KEGG:C02752 phenio.json 4-Hydroxy-6-methyl-2-pyrone|4-hydroxy-6-methyl-2-pyrone|4-hydroxy-6-methyl-2H-pyran-2-one|Triacetate lactone|triacetate lactone http://purl.obolibrary.org/obo/CHEBI_16458 3_STAR
CHEBI:16459 biolink:ChemicalSubstance pentanamide A monocarboxylic acid amide obtained by the formal condensation of valeric acid with ammonia. CAS:626-97-1|KEGG:C01842|LIPID_MAPS_instance:LMFA08010002|MetaCyc:CPD-586|PMID:24938779|Reaxys:1740792 phenio.json Pentanamide|Valeramide|n-valeramide|pentanamide http://purl.obolibrary.org/obo/CHEBI_16459 3_STAR
CHEBI:16460 biolink:ChemicalSubstance polyprenol phosphate A prenol phosphate resulting from the formal condensation of the terminal allylic hydroxy group of a polyprenol with 1 mol eq. of phosphoric acid. KEGG:C01048 phenio.json Polyprenyl phosphate|polyprenol phosphates http://purl.obolibrary.org/obo/CHEBI_16460 3_STAR
CHEBI:16461 biolink:ChemicalSubstance tauropine A derivative of L-alanine having a 2-sulfoethyl group attached to the alpha-nitrogen. CAS:33497-79-9|KEGG:C01616 phenio.json N(2)-(D-1-carboxyethyl)-2-aminoethanesulfonate|N-(1-carboxyethyl)taurine|N-(2-sulfoethyl)-D-alanine|N2-(D-1-Carboxyethyl)taurine|Tauropine|rhodoic acid http://purl.obolibrary.org/obo/CHEBI_16461 3_STAR
CHEBI:16463 biolink:ChemicalSubstance N-methylethanolamine phosphate The O-phospho derivative of N-methylethanolamine. KEGG:C01210 phenio.json 2-(methylamino)ethyl dihydrogen phosphate|N-Methylethanolamine phosphate http://purl.obolibrary.org/obo/CHEBI_16463 3_STAR
CHEBI:16464 biolink:ChemicalSubstance salicyl alcohol A hydroxybenzyl alcohol that is phenol substituted by a hydroxymethyl group at C-2. CAS:90-01-7|KEGG:C02323|KEGG:D05790|LINCS:LSM-20004|PDBeChem:SA9|PMID:22770225|PMID:25010147|Reaxys:1907195 phenio.json 2-(Hydroxymethyl)phenol|2-(hydroxymethyl)phenol|2-Hydroxybenzyl alcohol|Salicyl alcohol|Saligenin|salicyl alcohol http://purl.obolibrary.org/obo/CHEBI_16464 3_STAR
CHEBI:16466 biolink:ChemicalSubstance 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al A cholestanoid that is 5beta-cholestan-26-al substituted by hydroxy groups at positions 3, 7 and 12 respectively. CAS:3836-01-9|KEGG:C01301|LIPID_MAPS_instance:LMST04030164 phenio.json (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestan-26-al|3,7,12-trihydroxycholestan-26-al|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al|3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al http://purl.obolibrary.org/obo/CHEBI_16466 3_STAR
CHEBI:16467 biolink:ChemicalSubstance L-arginine An L-alpha-amino acid that is the L-isomer of arginine. CAS:74-79-3|DrugBank:DB00125|Drug_Central:1549|ECMDB:ECMDB00517|Gmelin:83283|HMDB:HMDB0000517|KEGG:C00062|KEGG:D02982|KNApSAcK:C00001340|MetaCyc:ARG|PDBeChem:ARG|PDBeChem:GND|PMID:10848923|PMID:11139824|PMID:11300497|PMID:11898853|PMID:12812828|PMID:15016745|PMID:15465805|PMID:16056256|PMID:16416365|PMID:17168727|PMID:17439666|PMID:19030957|PMID:21600268|PMID:21814794|PMID:22179117|PMID:22243793|PMID:22251130|PMID:22361732|PMID:22425811|PMID:22428068|PMID:22439203|PMID:22553931|PMID:22619480|PMID:22626826|PMID:22652429|PMID:22667467|PMID:22709481|PMID:8070089|Reaxys:1725413|Wikipedia:L-arginine|YMDB:YMDB00592 phenio.json (2S)-2-amino-5-(carbamimidamido)pentanoic acid|(2S)-2-amino-5-guanidinopentanoic acid|(S)-2-Amino-5-guanidinovaleric acid|(S)-2-amino-5-guanidinopentanoic acid|Arg|L-(+)-arginine|L-Arg|L-Arginin|L-Arginine|L-arginine|R|arginine http://purl.obolibrary.org/obo/CHEBI_16467 3_STAR
CHEBI:16468 biolink:ChemicalSubstance maleylacetate A 4-oxohex-2-enedioate that is the conjugate base of maleylacetic acid. KEGG:C02222 phenio.json (2Z)-4-oxohex-2-enedioate|maleylacetate http://purl.obolibrary.org/obo/CHEBI_16468 3_STAR
CHEBI:16469 biolink:ChemicalSubstance 17beta-estradiol The 17beta-isomer of estradiol. CAS:50-28-2|Chemspider:5554|DrugBank:DB00783|Drug_Central:1057|Gmelin:290805|HMDB:HMDB0000151|KEGG:C00951|KEGG:D00105|LINCS:LSM-2421|LIPID_MAPS_instance:LMST02010001|PDBeChem:EST|PMID:10438974|PMID:10585175|PMID:10843196|PMID:11703424|PMID:14681337|PMID:16313478|PMID:17124377|PMID:1777462|PMID:23901460|PMID:24134630|PMID:24449492|PMID:3621671|PMID:8098802|PMID:8567793|Reaxys:1914275|Wikipedia:Estradiol phenio.json (17beta)-estra-1,3,5(10)-triene-3,17-diol|17beta oestradiol|17beta-estra-1,3,5(10)-triene-3,17-diol|17beta-estradiol|17beta-oestradiol|ESTRADIOL|Estradiol|Estradiol-17beta|beta-Estradiol|cis-estradiol|estra-1,3,5(10)-triene-3,17beta-diol http://purl.obolibrary.org/obo/CHEBI_16469 3_STAR
CHEBI:16471 biolink:ChemicalSubstance (dimethylsulfonio)acetate Beilstein:1905971|CAS:4727-41-7 phenio.json (dimethylsulfonio)acetate|dimethylsulfonioacetate|sulfobetaine http://purl.obolibrary.org/obo/CHEBI_16471 3_STAR
CHEBI:16472 biolink:ChemicalSubstance pentan-2-one A pentanone carrying an oxo substituent at position 2. AGR:IND500714276|CAS:107-87-9|HMDB:HMDB0034235|KEGG:C01949|LIPID_MAPS_instance:LMFA12000003|MetaCyc:PENTAN-2-ONE|PDBeChem:PNH|PMID:22364569|Reaxys:506058|Wikipedia:Pentan-2-one phenio.json 2-Pentanone|2-pentanone|Methyl propyl ketone|Pentan-2-one|pentan-2-one http://purl.obolibrary.org/obo/CHEBI_16472 3_STAR
CHEBI:16473 biolink:ChemicalSubstance cortisol 21-sulfate A steroid sulfate obtained by the formal condensation of hydroxy group at position 21 of cortisol with sulfuric acid. CAS:1253-43-6|KEGG:C02822|PMID:2152866|PMID:24392764|PMID:5012753|PMID:5857563|PMID:8650705|Reaxys:2404797 phenio.json (11beta)-11,17-Dihydroxy-21-(sulfooxy)pregn-4-ene-3,20-dione|11,17-Dihydroxy-4-pregnene-3,20-dione-21-yl-sulfate|11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl hydrogen sulfate|Cortisol 21-sulfate|Cortisol-21-sulfate http://purl.obolibrary.org/obo/CHEBI_16473 3_STAR
CHEBI:16474 biolink:ChemicalSubstance NADPH The reduced form of NADP+; used in anabolic reactions, such as lipid and nucleic acid synthesis, which require NADPH as a reducing agent. Beilstein:77911|CAS:53-57-6|COMe:MOL000028|ECMDB:ECMDB04111|HMDB:HMDB0000221|KEGG:C00005|KNApSAcK:C00019545|PDBeChem:NDP|PMID:16884311|PMID:17371809|PMID:8627598|YMDB:YMDB00426 phenio.json 2'-O-phosphonoadenosine 5'-{3-[1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}|NADPH|NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE|Reduced nicotinamide adenine dinucleotide phosphate|TPNH|dihydronicotinamide-adenine dinucleotide phosphate|reduced nicotinamide-adenine dinucleotide phosphate http://purl.obolibrary.org/obo/CHEBI_16474 3_STAR
CHEBI:16479 biolink:ChemicalSubstance streptomycin 6-phosphate KEGG:C01138 phenio.json Streptomycin 6-phosphate|[2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5-trihydroxy-6-(phosphonooxy)cyclohexane-1,3-diyl]diguanidine} http://purl.obolibrary.org/obo/CHEBI_16479 3_STAR
CHEBI:16480 biolink:ChemicalSubstance nitric oxide A nitrogen oxide which is a free radical, each molecule of which consists of one nitrogen and one oxygen atom. CAS:10102-43-9|DrugBank:DB00435|Gmelin:451|KEGG:C00533|KEGG:D00074|MolBase:943|PDBeChem:NO|Reaxys:3587257|Wikipedia:Nitric_oxide phenio.json (.)NO|(NO)(.)|EDRF|NO|NO(.)|Nitric oxide|Nitrogen monoxide|Stickstoff(II)-oxid|Stickstoffmonoxid|[NO]|endothelium-derived relaxing factor|mononitrogen monoxide|monoxido de nitrogeno|monoxyde d'azote|nitric oxide|nitrogen monooxide|nitrogen monoxide|nitrosyl|oxido de nitrogeno(II)|oxido nitrico|oxidonitrogen(.)|oxoazanyl|oxyde azotique|oxyde nitrique http://purl.obolibrary.org/obo/CHEBI_16480 3_STAR
CHEBI:16481 biolink:ChemicalSubstance N-(hydroxymethyl)urea A member of the class of ureas that is urea in which one of the amino hydrogens is replaced by a hydroxymethyl group. CAS:1000-82-4|Gmelin:693876|KEGG:C06384|Patent:US3976465|Patent:US4318729|Patent:US4599102|Reaxys:1743129 phenio.json (hydroxymethyl)urea|1-(hydroxymethyl)urea|N-(Hydroxymethyl)urea|N-(hydroxymethyl)urea|methylol urea|methylolurea|mono(hydroxymethyl)urea|monomethylolurea http://purl.obolibrary.org/obo/CHEBI_16481 3_STAR
CHEBI:16482 biolink:ChemicalSubstance naphthalene An aromatic hydrocarbon comprising two fused benzene rings. It occurs in the essential oils of numerous plant species e.g. magnolia. CAS:91-20-3|Gmelin:3347|HMDB:HMDB0029751|KEGG:C00829|KNApSAcK:C00001259|MetaCyc:NAPHTHALENE|PDBeChem:NPY|PMID:10814889|PMID:11202734|PMID:16220979|PMID:16699520|PMID:17850896|PMID:26875834|PMID:26895256|PMID:27439360|PPDB:1312|Reaxys:1421310|UM-BBD_compID:c0333|Wikipedia:Naphthalene phenio.json NAPHTHALENE|Naphthalen|Naphthalene|Naphthalin|naftaleno|naftalina|naphtalene|naphtaline|naphthalene http://purl.obolibrary.org/obo/CHEBI_16482 3_STAR
CHEBI:16483 biolink:ChemicalSubstance isonocardicin A A nocardicin in which the beta-lactam moiety is substituted at position 1 by a carboxy(4-hydroxyphenyl)methyl group and at position 3 by a [(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetyl]nitrilo group in which the phenolic hydroxy group is substituted by a (3S)-3-amino-3-carboxypropyl group. KEGG:C00927|PMID:15252031|Reaxys:5324091 phenio.json 1-azetidineacetic acid|O-{4-[(1Z)-2-({(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl}amino)-N-hydroxy-2-oxoethanimidoyl]phenyl}-L-homoserine|isonocardicin A http://purl.obolibrary.org/obo/CHEBI_16483 3_STAR
CHEBI:16485 biolink:ChemicalSubstance 18-hydroxycorticosterone A 18-hydroxy steroid that is corticosterone substituted by a hydroxy group at position 18. CAS:561-65-9|HMDB:HMDB0000319|KEGG:C01124|LIPID_MAPS_instance:LMST02030091|MetaCyc:18-HYDROXYCORTICOSTERONE|PMID:12505784|PMID:22238407|Reaxys:5621578|Wikipedia:18-Hydroxycorticosterone phenio.json 11beta,18,21-trihydroxypregn-4-ene-3,20-dione|18-Hydroxycorticosterone|18-hydroxycorticosterone http://purl.obolibrary.org/obo/CHEBI_16485 3_STAR
CHEBI:16486 biolink:ChemicalSubstance cyclopentanone A cyclic ketone that consists of cyclopentane bearing a single oxo substituent. CAS:120-92-3|FooDB:FDB003481|Gmelin:82201|HMDB:HMDB0031407|KEGG:C00557|MetaCyc:CYCLOPENTANONE|PMID:21368407|PMID:24404564|Reaxys:605573|Wikipedia:Cyclopentanone phenio.json Cyclopentanone|cyclopentanone|ketocyclopentane|ketopentamethylene|oxocyclopentane http://purl.obolibrary.org/obo/CHEBI_16486 3_STAR
CHEBI:16487 biolink:ChemicalSubstance benzyl cetraxate The benzyl ester of cetraxate. Beilstein:2789690|KEGG:C03256 phenio.json 4-(3-benzyloxy-3-oxopropyl)phenyl (1r,4r)-4-(aminomethyl)cyclohexanecarboxylate|Cetraxate benzyl ester http://purl.obolibrary.org/obo/CHEBI_16487 3_STAR
CHEBI:16488 biolink:ChemicalSubstance meso-2,6-diaminopimelic acid The meso-isomer of 2,6-diaminopimelic acid. It is a key constituent of bacterial peptidoglycan and is often found in human urine due to the breakdown of the gut microbes. CAS:922-54-3|KEGG:C00680|KNApSAcK:C00007595|PDBeChem:API|PMID:11262151|PMID:20803494|PMID:22339732|PMID:23325104|Reaxys:8218693|Wikipedia:Diaminopimelic_acid phenio.json (2R*,6S*)-2,6-diaminoheptanedioic acid|meso-2,6-Diaminopimelic acid|meso-diaminoheptanedioic acid http://purl.obolibrary.org/obo/CHEBI_16488 3_STAR
CHEBI:16489 biolink:ChemicalSubstance lumazine A 2,4-dihydroxypteridine. CAS:487-21-8|KEGG:C03212|MetaCyc:CPD-15309|PDBeChem:LUZ|PMID:12043000|PMID:23501728|Reaxys:610331 phenio.json 1H,3H-pteridine-2,4-dione|2,4(3H,8H)-Pteridinedione|2,4-Dihydroxypteridine|2,4-dihydroxypteridine|Lumazine|Pteridine-2,4-dione|pteridine-2,4-diol http://purl.obolibrary.org/obo/CHEBI_16489 3_STAR
CHEBI:16490 biolink:ChemicalSubstance S-adenosyl-4-methylthio-2-oxobutanoate A sulfonium betaine that is the conjugate base of S-adenosyl-4-methylthio-2-oxobutanoic acid, arising from deprotonation of the carboxy group. Beilstein:9665212|MetaCyc:S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE|Reaxys:9665212 phenio.json 4-[(5'-adenosyl)(methyl)sulfonio]-2-oxobutanoate|4-[(5'-deoxyadenosin-5'-yl)(methyl)sulfaniumyl]-2-oxobutanoate|4-[(5'-deoxyadenosin-5'-yl)(methyl)sulfonio]-2-oxobutanoate|4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)sulfonio]-2-oxobutanoate|S-adenosyl-4-methylsulfanyl-2-oxobutanoate|[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl][(3S)-3-carboxylato-3-oxopropyl](methyl)sulfonium http://purl.obolibrary.org/obo/CHEBI_16490 3_STAR
CHEBI:16492 biolink:ChemicalSubstance nucleoside 3'-phosphate phenio.json nucleoside 3'-phosphates http://purl.obolibrary.org/obo/CHEBI_16492 3_STAR
CHEBI:16493 biolink:ChemicalSubstance 1-deoxy-D-xylulose 5-phosphate The 5-phospho derivative of 1-deoxy-D-xylulose. DrugBank:DB02496|KEGG:C11437|KNApSAcK:C00007292|PDBeChem:DXP phenio.json (2R,3S)-2,3-dihydroxy-4-oxopentyl dihydrogen phosphate|1-Deoxy-D-xylulose 5-phosphate http://purl.obolibrary.org/obo/CHEBI_16493 3_STAR
CHEBI:16494 biolink:ChemicalSubstance lipoic acid A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position. Beilstein:122410|CAS:62-46-4|DrugBank:DB00166|Drug_Central:4732|ECMDB:ECMDB01451|Gmelin:720915|KEGG:C00725|KEGG:D00086|PMID:15328413|PMID:7519986|PMID:7548757|Reaxys:81853|Wikipedia:Lipoic_acid|YMDB:YMDB00334 phenio.json 1,2-dithiolane-3-pentanoic acid|1,2-dithiolane-3-valeric acid|5-(1,2-dithiolan-3-yl)pentanoic acid|5-(1,2-dithiolan-3-yl)valeric acid|5-(dithiolan-3-yl)valeric acid|5-[3-(1,2-dithiolanyl)]pentanoic acid|6,8-thioctic acid|6,8-thiotic acid|6-thioctic acid|6-thiotic acid|Acetate-replacing factor|Biletan|Lipoic acid|Thioctansaeure|Thioctic acid|Thioctsaeure|Thioktsaeure|alpha-Lipoic acid|alpha-Liponsaeure|alpha-lipoic acid|liponic acid http://purl.obolibrary.org/obo/CHEBI_16494 3_STAR
CHEBI:16496 biolink:ChemicalSubstance 5beta-cholestane-3alpha,7alpha,12alpha-triol CAS:547-96-6|KEGG:C05454|LIPID_MAPS_instance:LMST04030035 phenio.json 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestane|3alpha,7alpha,12alpha-Trihydroxycoprostane|3alpha,7alpha,12alpha-trihydroxy-5beta-cholestane|3alpha,7alpha,12alpha-trihydroxycoprostane|5beta-Cholestane-3alpha,7alpha,12alpha-triol|5beta-cholestane-3alpha,7alpha,12alpha-triol http://purl.obolibrary.org/obo/CHEBI_16496 3_STAR
CHEBI:16497 biolink:ChemicalSubstance dGTP A purine 2'-deoxyribonucleoside 5'-triphosphate having guanine as the nucleobase. CAS:2564-35-4|Chemspider:58613|DrugBank:DB02181|ECMDB:ECMDB01440|FooDB:FDB022623|HMDB:HMDB0001440|KEGG:C00286|KNApSAcK:C00019346|PDBeChem:DGT|PMID:11096070|PMID:15708794|PMID:17354649|PMID:22844265|PMID:24141705|PMID:28373271|PMID:31019074|PMID:32402273|PMID:33405358|PMID:6783298|PMID:7929110|Reaxys:73481|Wikipedia:Deoxyguanosine_triphosphate|YMDB:YMDB00744 phenio.json 2'-deoxy-GTP|2'-deoxyguanosine 5'-(tetrahydrogen triphosphate)|2'-deoxyguanosine 5'-triphosphate|2'-deoxyguanosine triphosphate|dGTP|deoxy-GTP|deoxyguanosine 5'-triphosphate|deoxyguanosine triphosphate http://purl.obolibrary.org/obo/CHEBI_16497 3_STAR
CHEBI:16498 biolink:ChemicalSubstance N-acylneuraminic acid Any neuraminic acid carrying an N-acyl substituent. KEGG:C00591 phenio.json 5-alkanamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid|N-Acylneuraminate|N-acylneuraminic acids http://purl.obolibrary.org/obo/CHEBI_16498 3_STAR
CHEBI:16500 biolink:ChemicalSubstance 1-phosphatidyl-1D-myo-inositol 5-phosphate A phosphatidylinositol 5-phosphate in which the inositol moiety has configuration 1D-myo. KEGG:C11557|PMID:6095072 phenio.json 1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate)|1-O-(3-sn-phosphatidyl)-1D-myo-inositol 5-(dihydrogen phosphate)|1-Phosphatidyl-1D-myo-inositol 5-phosphate|PIP|PtdIns-5-P|PtdIns5P http://purl.obolibrary.org/obo/CHEBI_16500 3_STAR
CHEBI:16501 biolink:ChemicalSubstance L-arabinonate Conjugate base of L-arabinonic acid. Beilstein:5512976|CAS:608-53-7|KEGG:C00545 phenio.json L-Arabinonate|L-arabinonate http://purl.obolibrary.org/obo/CHEBI_16501 3_STAR
CHEBI:16503 biolink:ChemicalSubstance selane CAS:7783-07-5|KEGG:C01528|UM-BBD_compID:c0745 phenio.json H2Se|Hydrogen selenide|[SeH2]|dihydridoselenium|dihydrogen selenide|hydrogen selenide|hydroselenic acid|selane http://purl.obolibrary.org/obo/CHEBI_16503 3_STAR
CHEBI:16504 biolink:ChemicalSubstance monodehydro-L-ascorbic acid KEGG:C01041 phenio.json Ascorbate radical|Monodehydroascorbate|Monodehydroascorbate radical|Semidehydroascorbic acid|[(2R)-2-(1,2-dihydroxyethyl)-4-hydroxy-5-oxo-2,5-dihydrofuran-3-yl]oxidanyl http://purl.obolibrary.org/obo/CHEBI_16504 3_STAR
CHEBI:16505 biolink:ChemicalSubstance dihydrostreptomycin 6-phosphate The 6-O-phospho derivative of dihydrostreptomycin. CAS:33014-54-9|KEGG:C01221 phenio.json (1S,2R,3S,4S,5R,6S)-2,4-bis(carbamimidamido)-5-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyloxy}-3,6-dihydroxycyclohexyl dihydrogen phosphate|Dihydrostreptomycin 6-phosphate|O-2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-D-streptamine-6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16505 3_STAR
CHEBI:16507 biolink:ChemicalSubstance 1D-myo-inositol 1,2,4,5,6-pentakisphosphate A myo-inositol pentakisphosphate comprising 1D-myo-inositol having the five phosphate groups placed in the 1-' 2-' 4-, 5- and 6-positions. Beilstein:10136263|Beilstein:7792694|Beilstein:9534448|CAS:20298-95-7|KEGG:C04563 phenio.json 1D-myo-Inositol 1,2,4,5,6-pentakisphosphate|1D-myo-inositol 1,2,4,5,6-pentakis(dihydrogen phosphate)|D-myo-Inositol 1,2,4,5,6-pentakisphosphate|Inositol 1,2,4,5,6-pentakisphosphate|myo-Inositol 1,2,4,5,6-pentakisphosphate http://purl.obolibrary.org/obo/CHEBI_16507 3_STAR
CHEBI:16508 biolink:ChemicalSubstance cis,cis-muconic acid The cis,cis-isomer of muconic acid. It is produced during the degradation of chlorobenzene by bacteria like Bacillus. Beilstein:1722246|CAS:1119-72-8|KEGG:C02480|KNApSAcK:C00007490|PDBeChem:CCU|PMID:23720149|PMID:24320235 phenio.json (2Z,4Z)-HEXA-2,4-DIENEDIOIC ACID|(2Z,4Z)-hexa-2,4-dienedioic acid|(Z,Z)-2,4-hexadienedioic acid|cis,cis-2,4-Hexadienedioic acid http://purl.obolibrary.org/obo/CHEBI_16508 3_STAR
CHEBI:16509 biolink:ChemicalSubstance 1,4-benzoquinone The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene. CAS:106-51-4|Gmelin:2741|HMDB:HMDB0003364|KEGG:C00472|KEGG:C15602|MetaCyc:P-BENZOQUINONE|PDBeChem:PLQ|PMID:10462055|PMID:11304127|PMID:1395635|PMID:15182198|PMID:15618234|PMID:15920754|PMID:16484134|PMID:24023812|PMID:25057895|PMID:9118901|Reaxys:773967|UM-BBD_compID:c0261|Wikipedia:1,4-Benzoquinone phenio.json 1,4-Benzochinon|1,4-Benzoquinone|1,4-benzoquinone|2,5-Cyclohexadiene-1,4-dione|Quinone|benzo-1,4-quinone|benzoquinone|cyclohexa-2,5-diene-1,4-dione|p-Benzoquinone|p-Chinon|p-quinone|para-benzoquinone http://purl.obolibrary.org/obo/CHEBI_16509 3_STAR
CHEBI:16510 biolink:ChemicalSubstance 3-hydroxypropionate A hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxypropionic acid. Gmelin:324424|KEGG:C01013|Reaxys:3903725 phenio.json 3-Hydroxypropionate|3-hydroxypropanoate|beta-hydroxypropionate http://purl.obolibrary.org/obo/CHEBI_16510 3_STAR
CHEBI:16511 biolink:ChemicalSubstance N-acetyl-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol A polyprenyl glycosyl diphosphate having N-acetyl-D-glucosamine as the glycosyl fragment. Beilstein:1419042|KEGG:C01289 phenio.json 2-(acetylamino)-2-deoxy-1-O-{hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}-D-glucopyranose|N-Acetyl-D-glucosaminyldiphosphoundecaprenol|N-acetyl-D-glucosaminyl undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_16511 3_STAR
CHEBI:16512 biolink:ChemicalSubstance (S)-N-methylcanadine A quaternary ammonium ion that is (S)-canadine bearing an N-methyl substituent. Beilstein:4160644|KEGG:C02915|KNApSAcK:C00026136|PMID:12357384|Reaxys:4160644 phenio.json (13aS)-9,10-dimethoxy-7-methyl-5,8,13,13a-tetrahydro-2H,6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolinium|(S)-N-Methylcanadine|(S)-N-methylcanadine http://purl.obolibrary.org/obo/CHEBI_16512 3_STAR
CHEBI:16513 biolink:ChemicalSubstance hydroxymalonic acid A dicarboxylic acid that is malonic acid substituted by a hydroxy group at position 2. CAS:80-69-3|FooDB:FDB013880|Gmelin:82430|HMDB:HMDB0035227|KEGG:C02287|PMID:13823333|PMID:14039995|PMID:14389236|PMID:14793491|PMID:14843105|PMID:17889996|PMID:20342048|PMID:24135913|PMID:30724285|PMID:32781072|PMID:3676421|PMID:38647258|Reaxys:1209791|Wikipedia:Tartronic_acid phenio.json 2-hydroxymalonic acid|2-hydroxypropanedioic acid|2-tartronic acid|alpha-hydroxymalonic acid|hydroxymalonic acid|hydroxypropanedioic acid|tartronic acid http://purl.obolibrary.org/obo/CHEBI_16513 3_STAR
CHEBI:16514 biolink:ChemicalSubstance 4',5,7-trihydroxy-3'-methoxyflavone The 3'-O-methyl derivative of luteolin. CAS:491-71-4|KEGG:C04293|KNApSAcK:C00001029|LIPID_MAPS_instance:LMPK12110799|MetaCyc:574-TRIHYDROXY-3-METHOXYFLAVONE|PMID:22438130|PMID:22577954|PMID:23017389|PMID:23052184|PMID:23122135|Reaxys:295004 phenio.json 3'-Methoxyapigenin|3'-O-Methylluteolin|5,7,4'-Trihydroxy-3'-methoxyflavone|5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one|Chryseriol|Chrysoeriol|Luteolin 3'-methyl ether http://purl.obolibrary.org/obo/CHEBI_16514 3_STAR
CHEBI:16515 biolink:ChemicalSubstance 3-ADP-glyceric acid KEGG:C02509 phenio.json 3-(ADP)-glycerate|3-{[(adenosin-5'-yl)(hydroxy)phosphoryloxy](hydroxy)phosphoryloxy}-2-hydroxypropanoic acid|adenosine 5'-[3-(2-carboxy-2-hydroxyethyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16515 3_STAR
CHEBI:16516 biolink:ChemicalSubstance 2'-deoxyribonucleoside triphosphate KEGG:C04283 phenio.json 2'-Deoxyribonucleoside triphosphate|2'-deoxyribonucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_16516 3_STAR
CHEBI:16517 biolink:ChemicalSubstance cyclotriphosphoric acid The cyclic anhydride of triphosphoric acid. CAS:13566-25-1|KEGG:C02466 phenio.json 1,3,5,2,4,6-trioxatriphosphinane-2,4,6-triol 2,4,6-trioxide|2,4,6-trihydroxido-2,4,6-trioxido-1,3,5-trioxy-2,4,6-triphosphy-[6]cycle|H3P3O9|Trimetaphosphate|cyclo-Triphosphoric acid|cyclo-triphosphoric acid|tri-mu-oxido-tris(hydroxidooxidophosphorus)|trimetaphosphoric acid http://purl.obolibrary.org/obo/CHEBI_16517 3_STAR
CHEBI:16518 biolink:ChemicalSubstance ferrocytochrome b5 phenio.json Ferrocytochrome b5 http://purl.obolibrary.org/obo/CHEBI_16518 3_STAR
CHEBI:16520 biolink:ChemicalSubstance R'C(R)SH Any organosulfur compound with structure R'C(R)SH in which R and R' can be =S or =O, or a variety of other groups. KEGG:C01525 phenio.json R'C(R)SH http://purl.obolibrary.org/obo/CHEBI_16520 3_STAR
CHEBI:16521 biolink:ChemicalSubstance lanosterol A tetracyclic triterpenoid that is lanosta-8,24-diene substituted by a beta-hydroxy group at the 3beta position. It is the compound from which all steroids are derived. CAS:79-63-0|DrugBank:DB03696|HMDB:HMDB0001251|KEGG:C01724|KNApSAcK:C00003657|LIPID_MAPS_instance:LMST01010017|MetaCyc:LANOSTEROL|PDBeChem:LAN|PMID:14660793|PMID:16445886|PMID:21818119|PMID:21838962|PMID:22824432|PMID:22933236|PMID:22988818|PMID:24525128|PMID:26069216|PMID:26200341|Reaxys:2226449|Wikipedia:Lanosterol phenio.json (3beta)-lanosta-8,24-dien-3-ol|(3beta,5alpha)-4,4,14-trimethylcholesta-8,24-dien-3-ol|4,4',14alpha-Trimethyl-5alpha-cholesta-8,24-dien-3beta-ol|LANOSTEROL|Lanosterin|Lanosterol|lanosta-8,24-dien-3beta-ol|lanosterol http://purl.obolibrary.org/obo/CHEBI_16521 3_STAR
CHEBI:16522 biolink:ChemicalSubstance trans-zeatin The trans-isomer of zeatin. AGR:IND605478333|BPDB:1629|CAS:1637-39-4|CAS:32771-64-5|KEGG:C00371|KNApSAcK:C00000091|MetaCyc:CPD-4210|PDBeChem:ZEA|PMID:12595714|PMID:15321719|PMID:16998071|PMID:18718563|PMID:21964459|PMID:23187681|PMID:23280040|PMID:23656869|PMID:24311578|PMID:27613625|PMID:28737742|PMID:29630775|PMID:29764985|PMID:31682013|PMID:33178280|PMID:33999454|Reaxys:616241|Wikipedia:Zeatin phenio.json (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol|(E)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol|(E)-2-methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol|(E)-2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol|(E)-2-methyl-4-(purin-6-ylamino)-2-buten-1-ol|(E)-zeatin|N6-(4-Hydroxyisopentenyl)adenine|Zeatin|trans-Zeatin|trans-zeatin http://purl.obolibrary.org/obo/CHEBI_16522 3_STAR
CHEBI:16523 biolink:ChemicalSubstance D-serine The R-enantiomer of serine. CAS:312-84-5|DrugBank:DB03929|ECMDB:ECMDB03406|Gmelin:1041392|HMDB:HMDB0003406|KEGG:C00740|MetaCyc:D-SERINE|PDBeChem:DSN|PMID:11864625|PMID:12850593|PMID:19212759|PMID:19217074|PMID:21295046|PMID:21914633|PMID:21956571|PMID:22117694|PMID:22128843|PMID:22266400|PMID:22280157|PMID:22362148|PMID:22369458|PMID:22445805|PMID:22465696|PMID:22486999|Reaxys:1721403|YMDB:YMDB00284 phenio.json (2R)-2-amino-3-hydroxypropanoic acid|(R)-2-Amino-3-hydroxy-propionic acid|(R)-2-amino-3-hydroxypropanoic acid|D-SERINE|D-Serin|D-Serine|D-serine|DSN http://purl.obolibrary.org/obo/CHEBI_16523 3_STAR
CHEBI:16524 biolink:ChemicalSubstance testosterone acetate An androstanoid that is the acetate derivative of testosterone. CAS:1045-69-8|Gmelin:969611|KEGG:C03027|LIPID_MAPS_instance:LMST02020057|MetaCyc:CPD-271|PMID:15625768|PMID:21742131|PMID:24713476|Reaxys:2062555 phenio.json 17beta-acetoxy-4-androsten-3-one|17beta-acetoxy-Delta(4)-androstan-3-one|17beta-hydroxyandrost-4-en-3-one acetate|3-oxoandrost-4-en-17beta-yl acetate|Testosterone acetate|testosterone 17-acetate|testosterone acetate http://purl.obolibrary.org/obo/CHEBI_16524 3_STAR
CHEBI:16525 biolink:ChemicalSubstance taurochenodeoxycholic acid A bile acid taurine conjugate of chenodeoxycholic acid. CAS:516-35-8|HMDB:HMDB0000951|KEGG:C05465|LIPID_MAPS_instance:LMST05040005|PDBeChem:TUD|PMID:12065295|PMID:21983642|PMID:23510744|PMID:23562588|PMID:23811455|Reaxys:3228311 phenio.json 2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid|Chenodeoxycholoyltaurine|Taurochenodeoxycholic acid|taurine chenodeoxycholate|taurochenodeoxycholate|taurochenodeoxycholic acid http://purl.obolibrary.org/obo/CHEBI_16525 3_STAR
CHEBI:16526 biolink:ChemicalSubstance carbon dioxide A one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. A colourless, odourless gas under normal conditions, it is produced during respiration by all animals, fungi and microorganisms that depend directly or indirectly on living or decaying plants for food. CAS:124-38-9|Drug_Central:4256|Gmelin:989|HMDB:HMDB0001967|KEGG:C00011|KEGG:D00004|MetaCyc:CARBON-DIOXIDE|MolBase:752|PDBeChem:CO2|PMID:10826146|PMID:11094503|PMID:11584085|PMID:11802652|PMID:14639145|PMID:15050588|PMID:16591971|PMID:16656478|PMID:16659660|PMID:17190796|PMID:17448243|PMID:17878298|PMID:17884085|PMID:19043767|PMID:19259576|PMID:19854893|PMID:23384758|PMID:23828359|PMID:24258718|PMID:8482095|PMID:8818713|PMID:8869828|PMID:9611769|PMID:9730350|PPDB:119|Reaxys:1900390|UM-BBD_compID:c0131|Wikipedia:Carbon_dioxide phenio.json CARBON DIOXIDE|CO2|Carbon dioxide|E 290|E-290|E290|R-744|[CO2]|carbon dioxide|carbonic anhydride|dioxidocarbon|methanedione http://purl.obolibrary.org/obo/CHEBI_16526 3_STAR
CHEBI:16530 biolink:ChemicalSubstance 3-methyl-2-oxobutanoic acid A 2-oxo monocarboxylic acid that is the 2-oxo derivative of isovaleric acid. CAS:759-05-7|DrugBank:DB04074|HMDB:HMDB0000019|KEGG:C00141|KNApSAcK:C00007623|LIPID_MAPS_instance:LMFA01020274|MetaCyc:2-KETO-ISOVALERATE|PDBeChem:KIV|PMID:17190852|PMID:192504|PMID:7021997|Reaxys:1744951 phenio.json 2-Keto-3-methylbutyric acid|2-Ketoisovaleric acid|2-Ketovaline|2-Oxo-3-methylbutanoic acid|2-Oxo-3-methylbutyric acid|2-Oxoisovaleric acid|3-METHYL-2-OXOBUTANOIC ACID|3-Methyl-2-oxobutanoate|3-Methyl-2-oxobutanoic acid|3-Methyl-2-oxobutyric acid|3-methyl-2-oxobutanoic acid|Dimethylpyruvic acid|Isopropylglyoxylic acid|alpha-Ketovaline|alpha-keto-isovaleric acid|alpha-oxo-beta-methylbutyricacid|alpha-oxoisovaleric acid http://purl.obolibrary.org/obo/CHEBI_16530 3_STAR
CHEBI:16531 biolink:ChemicalSubstance Renilla luciferin Beilstein:768360|CAS:50909-86-9|KEGG:C00982|MetaCyc:RENILLA-LUCIFERIN|PMID:1259766|PMID:237531 phenio.json 2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(7H)-one|2-deoxycoelenterazine|Renilla luciferin|coelenterazine h|renillluciferin http://purl.obolibrary.org/obo/CHEBI_16531 3_STAR
CHEBI:16532 biolink:ChemicalSubstance N-benzyloxycarbonylglycine A derivative of glycine having a benzyloxycarbonyl protecting group attached to the nitrogen. CAS:1138-80-3|KEGG:C03710 phenio.json (Cbz)gly|Benzyloxycarbonylglycine|Carbobenzoxyglycine|Carbobenzoxyl glycine|Carbobenzyloxyglycine|N-(benzyloxycarbonyl)glycine|N-Benzyloxycarbonylglycine|N-CBZ-glycine|N-Carbobenzoxyglycine|N-Carbobenzyloxyglycine|N-Carboxyglycine N-benzyl ester|Z-Gly http://purl.obolibrary.org/obo/CHEBI_16532 3_STAR
CHEBI:16533 biolink:ChemicalSubstance L-tryptophanamide An amino acid amide that is the carboxamide of L-tryptophan. CAS:20696-57-5|DrugBank:DB04537|HMDB:HMDB0013318|KEGG:C00977|MetaCyc:CPD-584|PDBeChem:LTN|PMID:19309105 phenio.json (2S)-2-amino-3-(1H-indol-3-yl)propanamide|(S)-alpha-Amino-1H-indole-3-propionamide|L-Tryptophanamide|L-tryptophan amide http://purl.obolibrary.org/obo/CHEBI_16533 3_STAR
CHEBI:16534 biolink:ChemicalSubstance D-galactonic acid A galactonic acid compound having D-configuration. CAS:576-36-3|HMDB:HMDB0000565|KEGG:C00880|Reaxys:1726059 phenio.json D-Galactonic acid|D-galactonic acid http://purl.obolibrary.org/obo/CHEBI_16534 3_STAR
CHEBI:16535 biolink:ChemicalSubstance piperazine-2,5-dione A cyclic peptide that is piperazine in which the hydrogens at positions 2 and 5 are replaced by oxo groups. CAS:106-57-0|Gmelin:217756|KEGG:C02777|KNApSAcK:C00014894|PMID:12587880|PMID:24618890|PMID:24917118|Reaxys:112112|Wikipedia:Diketopiperazine phenio.json 2,5-Diazacyclohexane-1,4-dione|2,5-Dioxopiperazine|2,5-Piperazinedione|2,5-dioxopiperazine|Diketopiperazine|Glycine anhydride|cyclo-(Gly-Gly)|piperazine-2,5-dione http://purl.obolibrary.org/obo/CHEBI_16535 3_STAR
CHEBI:16536 biolink:ChemicalSubstance orcinol A 5-alkylresorcinol in which the alkyl group is specified as methyl. CAS:504-15-4|KEGG:C00727|KNApSAcK:C00002661|MetaCyc:ORCINOL-CPD|PMID:20630753|PMID:21108141|PMID:21718031|PMID:22196542|PMID:25537370|PMID:2719988|PMID:3742332|Reaxys:1071903|UM-BBD_compID:c0155|Wikipedia:Orcinol phenio.json 1,3-Dihydroxy-5-methylbenzene|3,5-Dihydroxytoluene|3,5-Toluenediol|3-Hydroxy-5-methylphenol|5-Methyl-1,3-benzenediol|5-Methyl-1,3-dihydroxybenzene|5-Methylresorcinol|5-methylbenzene-1,3-diol|Orcin|Orcinol|orcinol http://purl.obolibrary.org/obo/CHEBI_16536 3_STAR
CHEBI:16537 biolink:ChemicalSubstance galactarate(2-) A dicarboxylic acid dianion that is the conjugate base of galactarate(1-). Gmelin:1065131|MetaCyc:D-GALACTARATE|Reaxys:3909240 phenio.json (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioate|galactarate|meso-galactarate http://purl.obolibrary.org/obo/CHEBI_16537 3_STAR
CHEBI:16540 biolink:ChemicalSubstance pyridin-2-ol A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 2. CAS:142-08-5|HMDB:HMDB0013751|KEGG:C02502|KNApSAcK:C00007405|PMID:10952545|Reaxys:105786 phenio.json 2-Hydroxypyridine|2-Pyridinol|2-Pyridone|2-hydroxypyridine|2-pyridinol|2-pyridone|pyridin-2-ol http://purl.obolibrary.org/obo/CHEBI_16540 3_STAR
CHEBI:16541 biolink:ChemicalSubstance protein polypeptide chain A naturally occurring polypeptide synthesized at the ribosome. KEGG:C00017 phenio.json Protein|a protein|polypeptide chain|protein polypeptide chains http://purl.obolibrary.org/obo/CHEBI_16541 3_STAR
CHEBI:16542 biolink:ChemicalSubstance L-serine phosphoethanolamine The L-enantiomer of serine phosphoethanolamine. CAS:1186-34-1|FooDB:FDB008641|HMDB:HMDB0031950|KEGG:C03872|PMID:5936240|PMID:5972200 phenio.json L-serine 3-(2-aminoethyl hydrogen phosphate)|L-serine ethanolamine phosphate|L-serine ethanolamine phosphodiester|L-serine, 2-aminoethyl hydrogen phosphate (ester)|L-serine-phosphoethanolamine|O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-serine|serine phosphoethanolamine http://purl.obolibrary.org/obo/CHEBI_16542 3_STAR
CHEBI:16543 biolink:ChemicalSubstance N(2)-acetyl-L-ornithine An N(2)-acyl-L-ornithine where the acyl group is specified to be acetyl. CAS:6205-08-9|ECMDB:ECMDB03357|HMDB:HMDB0003357|KEGG:C00437|PDBeChem:AOR|PMID:19561621|PMID:21890434|PMID:22016985|Reaxys:1725555 phenio.json (2S)-2-acetamido-5-aminopentanoic acid|N(2)-acetyl-L-ornithine|N-Acetylornithine|N2-Acetyl-L-ornithine http://purl.obolibrary.org/obo/CHEBI_16543 3_STAR
CHEBI:16544 biolink:ChemicalSubstance UDP-N-acetyl-D-galactosamine 4,6-bissulfate phenio.json uridine 5'-[3-(2-acetamido-2-deoxy-4,6-di-O-sulfo-D-galactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16544 3_STAR
CHEBI:16545 biolink:ChemicalSubstance 5-valerolactone The simplest member of the class of delta-lactone that is tetrahydro-2H-pyran substituted by an oxo group at position 2. CAS:542-28-9|KEGG:C02240|MetaCyc:5-VALEROLACTONE|PMID:16134088|PMID:18324833|Patent:US2011237806|Reaxys:106436|Wikipedia:Delta-Valerolactone phenio.json 5-Valerolactone|5-valerolactone|delta-Valerolactone|tetrahydro-2H-pyran-2-one http://purl.obolibrary.org/obo/CHEBI_16545 3_STAR
CHEBI:16546 biolink:ChemicalSubstance 1-O-sinapoyl-beta-D-glucose A glucosyl hydroxycinnamic acid that is the cinnamate ester obtained by the formal condensation of the carboxy group of trans-sinapic acid with the anomeric hydroxy group of beta-D-glucose. KEGG:C01175|KNApSAcK:C00013592|PDBeChem:SGS|PMID:24241853|PMID:24271623|Reaxys:4272186 phenio.json (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl beta-D-glucopyranoside|(E)-(2S,3R,4S,5S,6R)-TETRAHYDRO-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2H-PYRAN-2-YL 3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)ACRYLATE|1-O-(trans-sinapoyl)-beta-D-glucose|1-O-Sinapoyl beta-D-glucoside|1-O-Sinapoyl-beta-D-glucose|1-O-[(2E)-sinapoyl]-beta-D-glucopyranose|1-O-[(2E)-sinapoyl]-beta-D-glucose|1-O-[(E)-sinapoyl]-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_16546 3_STAR
CHEBI:16547 biolink:ChemicalSubstance coniferyl aldehyde A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3. CAS:458-36-6|KEGG:C02666|KNApSAcK:C00002728|MetaCyc:CONIFERYL-ALDEHYDE|PMID:22034160|PMID:22466741|PMID:23302528|PMID:23725839|PMID:24010325|Reaxys:2048208|Wikipedia:Coniferyl_aldehyde phenio.json (E)-coniferaldehyde|3-(4-hydroxy-3-methoxyphenyl)prop-2-enal|4-Hydroxy-3-methoxycinnamaldehyde|4-hydroxy-3-methoxycinnamaldehyde|Coniferaldehyde|Coniferyl aldehyde|Ferulaldehyde http://purl.obolibrary.org/obo/CHEBI_16547 3_STAR
CHEBI:16548 biolink:ChemicalSubstance chlordecone An organochlorine compound with insecticidal activity. AGR:IND44714295|CAS:143-50-0|HMDB:HMDB0059603|KEGG:C01792|LINCS:LSM-36918|PMID:19167793|PMID:20566993|PMID:21852857|PMID:22683396|PMID:23706897|PMID:23827360|PMID:24401561|PPDB:1293|Patent:US2616825|Patent:US2616928|Reaxys:1894593|Wikipedia:Kepone phenio.json 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-one|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one|Chlordecone|GC 1189|Kepone|chlordecone|decachloropentacyclo[5.2.1.0(2,6).0(3,9).0(5,8)]decan-4-one|perchloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-one http://purl.obolibrary.org/obo/CHEBI_16548 3_STAR
CHEBI:16549 biolink:ChemicalSubstance UDP-2-acetamido-4-amino-2,4,6-trideoxy-D-glucose A UDP-amino sugar having 2-acetamido-4-amino-2,4,6-trideoxy-D-glucose as the sugar component. phenio.json UDP-2-acetamido-4-amino-2,4,6-trideoxyglucose|uridine 5'-[3-(2-acetamido-4-amino-2,4,6-trideoxy-D-glucopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16549 3_STAR
CHEBI:165498 biolink:ChemicalSubstance 1-O-alpha-D-Glucopyranosyl-1,2-nonadecandiol Chemspider:24822115|LIPID_MAPS_instance:LMFA13010006 phenio.json (3S,5S,6S)-2-(hydroxymethyl)-6-(2-hydroxynonadecoxy)oxane-3,4,5-triol http://purl.obolibrary.org/obo/CHEBI_165498 2_STAR
CHEBI:16550 biolink:ChemicalSubstance xanthommatin An ommochrome that consists of a pyrido[3,2-a]phenoxazine ring system bearing hydroxy, carboxy, oxo and 3-amino-3-carboxypropanoyl substituents at positions 1, 3, 5 and 11 respectively. The parent of the class of xanthommatins. CAS:521-58-4|KEGG:C01969|PMID:3092804|PMID:4631600|PMID:5798588|PMID:6662501|PMID:6802132|PMID:7470018|PMID:751645|PMID:828051|Reaxys:633700 phenio.json 11-(3-amino-3-carboxypropanoyl)-1-hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylic acid|Xanthommatin http://purl.obolibrary.org/obo/CHEBI_16550 3_STAR
CHEBI:16551 biolink:ChemicalSubstance alpha,alpha-trehalose A trehalose in which both glucose residues have alpha-configuration at the anomeric carbon. CAS:99-20-7|Gmelin:2145829|HMDB:HMDB0000975|KEGG:C01083|KEGG:G00293|KNApSAcK:C00001152|LINCS:LSM-37121|MetaCyc:TREHALOSE|PDBeChem:TRE|PMID:17439666|PMID:20477758|Reaxys:1292766|Wikipedia:Trehalose phenio.json (Glc)2|D-(+)-trehalose|TREHALOSE|Trehalose|alpha,alpha'-Trehalose|alpha,alpha-Trehalose|alpha,alpha-trehalose|alpha-D-Glcp-(1<->1)-alpha-D-Glcp|alpha-D-Trehalose|alpha-D-glucopyranosyl alpha-D-glucopyranoside|alpha-D-glucopyranosyl-alpha-D-glucopyranoside|alpha-trehalose|ergot sugar|mycose http://purl.obolibrary.org/obo/CHEBI_16551 3_STAR
CHEBI:16552 biolink:ChemicalSubstance N-formyl-L-methionine A L-methionine derivative in which one of the hydrogens attached to the nitrogen is replaced by a formyl group. CAS:4289-98-9|DrugBank:DB04464|HMDB:HMDB0001015|KEGG:C03145|MetaCyc:N-FORMYLMETHIONINE|PDBeChem:FME|PMID:22770225|Reaxys:1725218|Wikipedia:Formylmethionine phenio.json (2S)-2-(formylamino)-4-(methylthio)butanoic acid|(2S)-2-formamido-4-(methylsulfanyl)butanoic acid|Formyl-methionine|N-Formyl-L-methionine|N-formyl-L-methionine|N-formylmethionine http://purl.obolibrary.org/obo/CHEBI_16552 3_STAR
CHEBI:16553 biolink:ChemicalSubstance UDP-4-dehydro-6-deoxy-D-glucose phenio.json uridine 5'-[3-(6-deoxy-D-xylo-hexopyranosyl-4-ulose ) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16553 3_STAR
CHEBI:16554 biolink:ChemicalSubstance sym-homospermidine A polyazaalkane comprising undecane with three aza groups placed at the 1-, 6- and 11-positions. Beilstein:1739673|CAS:4427-76-3|KEGG:C06366 phenio.json 1,6,11-triazaundecane|Homospermidine|N-(4-aminobutyl)-1,4-butanediamine|N-(4-aminobutyl)butane-1,4-diamine|bis(4-aminobutyl)amine|sym-Homospermidine http://purl.obolibrary.org/obo/CHEBI_16554 3_STAR
CHEBI:16555 biolink:ChemicalSubstance ethanethioic S-acid A thioacetic acid that is acetic acid in which the oxygen atom of the hydroxy group has been replaced by a sulfur atom. CAS:507-09-5|Gmelin:49262|KEGG:C01857|PMID:23298036|Reaxys:773684 phenio.json CH3COSH|Thioacetic acid|acetyl mercaptan|ethanethioic S-acid|thioacetic S-acid http://purl.obolibrary.org/obo/CHEBI_16555 3_STAR
CHEBI:16556 biolink:ChemicalSubstance CMP-N-acetyl-beta-neuraminic acid A nucleotide sugar used as a donor by glycosyltransferases for the synthesis of sugar chains CAS:3063-71-6|DrugBank:DB02485|KEGG:C00128|KEGG:G10616|PDBeChem:NCC|PMID:27373998|Reaxys:4224251 phenio.json CMP acetylneuraminic acid|CMP-N-acetylneuraminate|CMP-Neu5Ac|CMP-NeuNAc|CMP-beta-Neu5Ac|CMP-sialic acid|CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID|Cmp-nana|cytidine 5'-(5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid monophosphate)|cytidine monophosphate N-acetylneuraminic acid|cytidine-5'-monophospho-N-acetylneuraminic acid|cytidine-5'-monophosphono-N-acetylneuraminic acid http://purl.obolibrary.org/obo/CHEBI_16556 3_STAR
CHEBI:16557 biolink:ChemicalSubstance quercetin 3,3',7-trissulfate A quercetin trissulfate having the three sulfo groups placed at the 3-, 3'- and 7-positions. KEGG:C03897|KNApSAcK:C00004962|MetaCyc:QUERCETIN-337-TRISSULFATE|Reaxys:3642435 phenio.json 5-hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4-oxo-4H-chromene-3,7-diyl bis(hydrogen sulfate)|Quercetin 3,3',7-trissulfate http://purl.obolibrary.org/obo/CHEBI_16557 3_STAR
CHEBI:16558 biolink:ChemicalSubstance triacetic acid A dioxo monocarboxylic acid comprising hexanoic acid with the two oxo groups placed at the 3- and 5-positions. Beilstein:1761209|CAS:2140-49-0|KEGG:C01757 phenio.json 3,5-dioxohexanoic acid|Triacetate http://purl.obolibrary.org/obo/CHEBI_16558 3_STAR
CHEBI:165587 biolink:ChemicalSubstance Margaroyl-EA CAS:53832-59-0|Chemspider:21467441|LIPID_MAPS_instance:LMFA08040049 phenio.json N-(2-hydroxyethyl)heptadecanamide http://purl.obolibrary.org/obo/CHEBI_165587 2_STAR
CHEBI:16562 biolink:ChemicalSubstance 2-phenylacetamide A monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2. CAS:103-81-1|Gmelin:101820|HMDB:HMDB0010715|KEGG:C02505|MetaCyc:CPD-238|PMID:22548364|Reaxys:507886|UM-BBD_compID:c0648 phenio.json 2-Phenylacetamide|2-phenylacetamide|alpha-phenylacetamide|alpha-toluamide|benzeneacetamide|phenyl-beta-acetylamine|phenylacetamide|phenylacetic acid amide http://purl.obolibrary.org/obo/CHEBI_16562 3_STAR
CHEBI:16563 biolink:ChemicalSubstance tetrahydropalmatine A berberine alkaloid obtained by formal addition of two molecules of hydrogen to the pyridine ring of palmatine. CAS:483-14-7|KEGG:C02890|KNApSAcK:C00025252|MetaCyc:TETRAHYDROPALMATINE|PMID:10680579|PMID:11488467|PMID:12709895|PMID:17260290|PMID:19544352|PMID:19927376|PMID:20083181|PMID:20109541|PMID:20234973|PMID:20349723|PMID:20828314|PMID:20884991|PMID:21196089|PMID:21319371|PMID:21493954|PMID:21633914|PMID:21678521|PMID:21733652|Reaxys:96288|Wikipedia:Tetrahydropalmatine phenio.json (-)-tetrahydropalmatine|(13aS)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline|(S)-(-)-tetrahydropalmatine|(S)-Tetrahydropalmatine|(S)-tetrahydropalmatine|2,3,9,10-tetramethoxy-13aalpha-berbine|L-tetrahydropalmatine|Tetrahydropalmatine http://purl.obolibrary.org/obo/CHEBI_16563 3_STAR
CHEBI:16566 biolink:ChemicalSubstance sphinganine A 2-aminooctadecane-1,3-diol having (2S,3R)-configuration. CAS:764-22-7|HMDB:HMDB0000269|KEGG:C00836|KNApSAcK:C00007540|LIPID_MAPS_instance:LMSP01020001|MetaCyc:CPD-13612|PMID:17085324|PMID:1817037|PMID:7654391|PMID:7819132|Reaxys:1724230 phenio.json (2S,3R)-2-amino-1,3-octadecanediol|(2S,3R)-2-aminooctadecane-1,3-diol|(R-(R*,S*))-2-aminooctadecane-1,3-diol|2-Amino-1,3-dihydroxyoctadecane|C18-dihydrosphingosine|C18-sphinganine|D-erythro-1,3-dihydroxy-2-aminooctadecane|D-erythro-2-amino-1,3-octadecanediol|D-erythro-C18-dihydrosphingosine|Dihydrosphingosine|Safingol|Sphinganine|d18:0|octadecasphinganine|sphinganine http://purl.obolibrary.org/obo/CHEBI_16566 3_STAR
CHEBI:16567 biolink:ChemicalSubstance anthranilate An aminobenzoate that is the conjugate base of anthranilic acid, obtained by deprotonation of the carboxy group. Gmelin:131077|HMDB:HMDB0001123|KEGG:C00108|MetaCyc:ANTHRANILATE|Reaxys:3904977|UM-BBD_compID:c0345 phenio.json 2-aminobenzoate|anthranilate http://purl.obolibrary.org/obo/CHEBI_16567 3_STAR
CHEBI:16568 biolink:ChemicalSubstance 5,10-methylenetetrahydromethanopterin KEGG:C04377|UM-BBD_compID:c0350 phenio.json 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-alpha-D-ribofuranosyl)-D-ribitol|5,10-Methylenetetrahydromethanopterin|N5,N10-Methylenetetrahydromethanopterin http://purl.obolibrary.org/obo/CHEBI_16568 3_STAR
CHEBI:16569 biolink:ChemicalSubstance 3-hydroxyquinolin-4(1H)-one A quinoline having the keto group at the 4-position and an additional hydroxy substituent at the 3-position. Beilstein:1526157|KEGG:C11503 phenio.json 3-Hydroxy-1H-quinolin-4-one|3-hydroxy-1H-quinolin-4-one|3-hydroxyquinolin-4(1H)-one http://purl.obolibrary.org/obo/CHEBI_16569 3_STAR
CHEBI:16570 biolink:ChemicalSubstance N(6)-hydroxy-L-lysine The N(6)-hydroxy derivative of L-lysine. Beilstein:1706600|KEGG:C01028 phenio.json (2S)-2-amino-6-(hydroxyamino)hexanoic acid|N(6)-hydroxy-L-lysine|N6-Hydroxy-L-lysine http://purl.obolibrary.org/obo/CHEBI_16570 3_STAR
CHEBI:16571 biolink:ChemicalSubstance oxidised poly(vinyl alcohol) A homopolymer macromolecule obtained by oxidiation of poly(vinyl alcohol). For the sake of convenience, a representative structure of the repeating unit is depicted; the extent of oxidation is variable. KEGG:C01166 phenio.json Oxidized polyvinyl alcohol|an oxidized polyvinyl alcohol http://purl.obolibrary.org/obo/CHEBI_16571 3_STAR
CHEBI:16572 biolink:ChemicalSubstance 3-ethylcatechol The simplest member of the class of 3-ethylcatechols that is catechol bearing an ethyl substituent at position 3. CAS:933-99-3|KEGG:C06728|Reaxys:2326443|UM-BBD_compID:c0274 phenio.json 2,3-Dihydroxyethylbenzene|2,3-dihydroxyethylbenzene|3-Ethyl-benzene-1,2-diol|3-Ethylcatechol|3-ethyl-benzene-1,2-diol|3-ethylbenzene-1,2-diol|3-ethylcatechol http://purl.obolibrary.org/obo/CHEBI_16572 3_STAR
CHEBI:16573 biolink:ChemicalSubstance carbonyl sulfide A one-carbon compound in which the carbon atom is attached to an oxygen and a sulfur atom via double bonds. CAS:463-58-1|KEGG:C07331|Reaxys:1697284|UM-BBD_compID:c0562|Wikipedia:Carbonyl_sulfide phenio.json C(O)S|Carbonyl sulfide|O=C=S|carbon oxide sulfide|carbonyl sulfide|carbonyl sulphide|oxidosulfidocarbon http://purl.obolibrary.org/obo/CHEBI_16573 3_STAR
CHEBI:16576 biolink:ChemicalSubstance D-alanyl-D-alanine A dipeptide comprising D-alanine with a D-alanyl residue attached to the alpha-nitrogen. It is a component of bacterial peptidoglycan and forms an important target for development of antibacterial drugs . CAS:923-16-0|HMDB:HMDB0003459|KEGG:C00993|KNApSAcK:C00019576|PMID:16030213|PMID:19053785|PMID:24440607|PMID:61706|Reaxys:1724814 phenio.json (D-Ala)2|D-Ala-D-Ala|D-Alanyl-D-alanine|H-D-Ala-D-Ala-OH http://purl.obolibrary.org/obo/CHEBI_16576 3_STAR
CHEBI:16577 biolink:ChemicalSubstance 3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid A cholestanoid that is 5beta-cholestan-26-oic acid substituted by alpha-hydroxy groups at positions 3 and 7 respectively. KEGG:C04554|LIPID_MAPS_instance:LMST04030066|Reaxys:5384167 phenio.json 3alpha,7alpha-Dihydroxy-5beta-cholestanate|3alpha,7alpha-Dihydroxy-5beta-cholestanoate|3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid|3alpha,7alpha-dihydroxy-5beta-cholestanic acid http://purl.obolibrary.org/obo/CHEBI_16577 3_STAR
CHEBI:16578 biolink:ChemicalSubstance 4-CDP-2-C-methyl-D-erythritol KEGG:C11435|KNApSAcK:C00007620|PDBeChem:CDM phenio.json 4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol|cytidine 5'-{3-[(2R,3S)-2,3,4-trihydroxy-3-methylbutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_16578 3_STAR
CHEBI:16579 biolink:ChemicalSubstance anisole A monomethoxybenzene that is benzene substituted by a methoxy group. CAS:100-66-3|Gmelin:2964|HMDB:HMDB0033895|KEGG:C01403|MetaCyc:CPD-395|PMID:11944828|PMID:24814399|Reaxys:506892|Wikipedia:Anisole phenio.json Anisol|Anisole|Methoxybenzene|Methyl phenyl ether|Phenol methyl ether|anisole http://purl.obolibrary.org/obo/CHEBI_16579 3_STAR
CHEBI:16580 biolink:ChemicalSubstance N-hydroxy-4-aminobiphenyl A N-substituted amine that is 4-aminobiphenyl substituted by a hydroxy group at the nitrogen atom. CAS:6810-26-0|KEGG:C03622|PMID:1600616|PMID:16970317|PMID:24881456|PMID:647655|Reaxys:2639597 phenio.json 4-biphenylhydroxylamine|4-hydroxyaminobiphenyl|4-hydroxylaminobiphenyl|N-1,1'-biphenyl-4-ylhydroxylamine|N-4-biphenylylhydroxylamine|N-Hydroxy-4-aminobiphenyl|N-hydroxy-[1,1'-biphenyl]-4-amine http://purl.obolibrary.org/obo/CHEBI_16580 3_STAR
CHEBI:16581 biolink:ChemicalSubstance pregnenolone A 20-oxo steroid that is pregn-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 20. Beilstein:2059026|CAS:145-13-1|DrugBank:DB02789|HMDB:HMDB0000253|KEGG:C01953|KEGG:D00143|LINCS:LSM-5550|LIPID_MAPS_instance:LMST02030088|PDBeChem:PLO|PMID:23572091|PMID:24385629|Reaxys:2059026|Wikipedia:Pregnenolone phenio.json (3BETA)-3-HYDROXYPREGN-5-EN-20-ONE|3beta-Hydroxypregn-5-en-20-one|3beta-hydroxypregn-5-en-20-one|5-Pregnen-3beta-ol-20-one|Pregnenolone|pregnenolone http://purl.obolibrary.org/obo/CHEBI_16581 3_STAR
CHEBI:16582 biolink:ChemicalSubstance oxaluric acid A 2-oxo monocarboxylic acid that is amino(oxo)acetic acid substituted by a carbamoylamino group at the nitrogen atom. CAS:585-05-7|ECMDB:ECMDB20181|KEGG:C00802|KNApSAcK:C00007463|MetaCyc:CPD-389|PMID:22583701|PMID:23284870|Reaxys:1769145 phenio.json (carbamoylamino)(oxo)acetic acid|Monooxalylurea|Oxalurate|Oxalureate|Oxaluric acid|onooxalylurea|oxal|ureido(oxo)acetic acid http://purl.obolibrary.org/obo/CHEBI_16582 3_STAR
CHEBI:16583 biolink:ChemicalSubstance butane-2,3-dione An alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation. CAS:431-03-8|HMDB:HMDB0003407|KEGG:C00741|PMID:15654607|PMID:24614328|Reaxys:605398 phenio.json 2,3-Butadione|2,3-Butanedione|2,3-Diketobutane|2,3-Dioxobutane|2,3-butandione|Biacetyl|Diacetyl|Dimethyl glyoxal|Dimethylglyoxal|butane-2,3-dione|diacetyl http://purl.obolibrary.org/obo/CHEBI_16583 3_STAR
CHEBI:16584 biolink:ChemicalSubstance isopentenyl diphosphate A prenol phosphate comprising 3-methylbut-3-en-1-ol having an O-diphosphate substituent. CAS:358-71-4|DrugBank:DB04714|KEGG:C00129|KNApSAcK:C00000848|LIPID_MAPS_instance:LMPR01010008|PDBeChem:IPE|PMID:11278429|PMID:15450402|PMID:23000003|PMID:23543734|PMID:23747531|PMID:23872678|PMID:7584140|PMID:7753173|Reaxys:1713792|Wikipedia:Isopentenyl_pyrophosphate phenio.json 3-Methyl-3-butenyl pyrophosphate|3-methylbut-3-en-1-yl trihydrogen diphosphate|3-methylbut-3-enyl phosphono hydrogen phosphate|Diphosphoric acid mono(3-methyl-3-butenyl) ester|IPP|IPPP|Isopentenyl diphosphate|Isopentenyl pyrophosphate|Mono(3-methyl-3-butenyl) diphosphate|delta-3-Isopentenyl pyrophosphate|delta3-Isopentenyl diphosphate|delta3-Methyl-3-butenyl diphosphate|delta3-isopentenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_16584 3_STAR
CHEBI:16585 biolink:ChemicalSubstance L-lombricine The L-enantiomer of lombricine. CAS:18416-85-8|KEGG:C14177|PMID:13632802|Reaxys:1729501 phenio.json L-Lombricine|L-Serine, 2-((aminoiminomethyl)amino)ethyl hydrogen phosphate (ester)|Lombricine|O(3)-([2-guanidinoethoxy]phosphono)-L-serine|O-{[2-(carbamimidamido)ethoxy](hydroxy)phosphoryl}-L-serine http://purl.obolibrary.org/obo/CHEBI_16585 3_STAR
CHEBI:16586 biolink:ChemicalSubstance 6-aminohexanoic acid An epsilon-amino acid comprising hexanoic acid carrying an amino substituent at position C-6. Used to control postoperative bleeding, and to treat overdose effects of the thrombolytic agents streptokinase and tissue plasminogen activator. CAS:1319-82-0|CAS:60-32-2|DrugBank:DB00513|Drug_Central:163|Gmelin:101724|HMDB:HMDB0001901|KEGG:C02378|KEGG:D00160|LINCS:LSM-5733|LIPID_MAPS_instance:LMFA01100035|MetaCyc:CPD-884|PDBeChem:ACA|PMID:10930630|PMID:12141409|PMID:14050038|PMID:19086806|PMID:21904257|PMID:22339947|PMID:22770225|PMID:22847395|PMID:22995453|PMID:23187124|PMID:23213034|PMID:23353035|PMID:23434921|PMID:23921838|Reaxys:906872|Wikipedia:Aminocaproic_acid phenio.json 6-AMINOHEXANOIC ACID|6-Aminocaproic acid|6-Aminohexanoic acid|6-aminohexanoic acid|AMINOCAPROIC|Ahx|Amicar|Amikar|Capralense|Capramol|Caproamin|Caprocid|Caprolisin|EACA|Epsamon|Epsicaprom|Epsicapron|Epsikapron|Epsilcapramin|Epsilcapramine|Epsilon S|Respramin|Z|acide aminocaproque|acido aminocaproico|acidum aminocaproicum|aminocaproic acid|aminohexanoic acid|epsilon-Ahx|epsilon-amino-n-hexanoic acid|epsilon-aminocaproic acid|epsilon-aminohexanoic acid|epsilon-leucine|epsilon-norleucine|omega-aminocaproic acid|omega-aminohexanoic acid http://purl.obolibrary.org/obo/CHEBI_16586 3_STAR
CHEBI:16587 biolink:ChemicalSubstance 20-hydroxyecdysone An ecdysteroid that is ecdysone substituted by a hydroxy group at position 20. CAS:5289-74-7|HMDB:HMDB0030180|KEGG:C02633|KNApSAcK:C00003654|LIPID_MAPS_instance:LMST01010209|MetaCyc:CPD-276|PDBeChem:20E|PMID:15609826|PMID:25593010|PMID:8748375|Reaxys:1917578|Wikipedia:20-Hydroxyecdysone phenio.json (22R)-2beta,3beta,14alpha,20,22,25-hexahydroxy-5beta-cholest-7-en-6-one|20-Hydroxyecdysone|20-OH ecdysone|20-hydroxyecdysone|Crustecdysone|Ecdysterone|beta-Ecdysone|beta-Ecdysterone http://purl.obolibrary.org/obo/CHEBI_16587 3_STAR
CHEBI:16588 biolink:ChemicalSubstance D-hamamelose 2(1)-(dihydrogen phosphate) The 2(1)-phospho derivative of D-hamamelose. KEGG:C03606 phenio.json 2-C-[(phosphonooxy)methyl]-D-ribose|D-Hamamelose 2(1)-phosphate http://purl.obolibrary.org/obo/CHEBI_16588 3_STAR
CHEBI:16590 biolink:ChemicalSubstance O-feruloylgalactaric acid Galactaric acid in which the hydrogen of one of the alcoholic hydroxy groups has been replaced by a feruloyl group. KEGG:C03156 phenio.json O-Feruloylgalactarate|O-feruloyl-D-galactaric acid http://purl.obolibrary.org/obo/CHEBI_16590 3_STAR
CHEBI:16591 biolink:ChemicalSubstance all-trans-undecaprenol A long-chain primary fatty alcohol that is the all-trans-isomer of undecaprenol. CAS:15575-14-1|KEGG:C01968|LIPID_MAPS_instance:LMPR03010007|PMID:24990652 phenio.json (2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-ol|Undecaprenol|all-trans-undecaprenol http://purl.obolibrary.org/obo/CHEBI_16591 3_STAR
CHEBI:16592 biolink:ChemicalSubstance (S)-canadine The (S)-enantiomer of canadine. CAS:5096-57-1|KEGG:C03329|KNApSAcK:C00028005|PMID:21661731|Reaxys:96684 phenio.json (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine|(13aS)-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline|(S)-Canadine|(S)-Tetrahydroberberine|(S)-canadine|canadine l-form http://purl.obolibrary.org/obo/CHEBI_16592 3_STAR
CHEBI:16593 biolink:ChemicalSubstance L-xylulose 5-phosphate The 5-O-phospho derivative of L-xylulose. DrugBank:DB01923|KEGG:C03291|KNApSAcK:C00019544|Reaxys:21938913 phenio.json 5-O-phosphono-L-threo-pentos-2-ulose|5-O-phosphono-L-xylulose|L-Xylulose 5-phosphate|L-threo-pentos-2-ulose 5-(dihydrogen phosphate)|L-xylulose 5-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16593 3_STAR
CHEBI:16594 biolink:ChemicalSubstance 2,4-diaminopentanoate An alpha-amino-acid anion that is the conjugate base of 2,4-diaminopentanoic acid. phenio.json 2,4-diaminopentanoate http://purl.obolibrary.org/obo/CHEBI_16594 3_STAR
CHEBI:16595 biolink:ChemicalSubstance 1D-myo-inositol 1,4,5-trisphosphate Beilstein:3658346|CAS:85166-31-0|DrugBank:DB03401|KEGG:C01245|KNApSAcK:C00007460|PDBeChem:I3P phenio.json 1,4,5-Insp3|1D-myo-Inositol 1,4,5-trisphosphate|1D-myo-inositol 1,4,5-tris(dihydrogen phosphate)|D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE|D-myo-Inositol 1,4,5-trisphosphate|IP3|Inositol 1,4,5-trisphosphate|Ins(1,4,5)P3|InsP3 http://purl.obolibrary.org/obo/CHEBI_16595 3_STAR
CHEBI:16596 biolink:ChemicalSubstance cyanidin 3-O-rutinoside 5-O-beta-D-glucoside An anthocyanin cation that is cyanidin in which the hydroxyl hydrogens at positions 3 and 5 are replaced by rutinosyl and glucosyl residues respectively. CAS:135558-26-8|CAS:62024-14-0|KEGG:C12646|MetaCyc:CPD-15002 phenio.json 3-[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl beta-D-glucopyranoside|3-[6-deoxy-alpha-L-mannopyranosyl-(1->6)-beta-D-glucopyranosyloxy]-2-(3,4-dihydroxyphenyl)-7-hydroxychromenium-5-yl beta-D-glucopyranoside|Cyanidin 3-O-rutinoside 5-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_16596 3_STAR
CHEBI:16597 biolink:ChemicalSubstance glycerol 1,2-cyclic phosphate The 1,2-cyclic phosphate derived from glycerol. KEGG:C03947 phenio.json 1,3,2-Dioxaphospholane-4-methanol|4-(hydroxymethyl)-1,3,2-dioxaphospholan-2-ol 2-oxide|Glycerol 1,2-cyclic phosphate http://purl.obolibrary.org/obo/CHEBI_16597 3_STAR
CHEBI:16598 biolink:ChemicalSubstance DDE A chlorophenylethylene that is ethylene substituted by two 4-chlorophenyl groups at position 1 and two chlorine atoms at position 2. CAS:72-55-9|FooDB:FDB097419|HMDB:HMDB0304759|KEGG:C04596|MetaCyc:DICHLOROBIS-CPD|PDBeChem:6WS|PMCID:PMC7208238|PMID:11513126|PMID:15070871|PMID:15710169|PMID:20368122|PMID:22142728|PMID:23415487|PMID:24328540|PMID:28042045|PMID:31792309|PMID:32393266|PMID:33287856|PMID:33756427|PMID:35623197|PMID:37236336|Reaxys:1913355|UM-BBD_compID:c0406|Wikipedia:Dichlorodiphenyldichloroethylene phenio.json 1,1'-(2,2-dichloroethene-1,1-diyl)bis(4-chlorobenzene)|1,1-Dichloro-2,2-bis(4'-chlorophenyl)ethylene|1,1-Dichloro-2,2-bis(4-chlorophenyl)ethylene|1,1-bis-(4-chlorophenyl)-2,2-dichloroethene|1,1-dichloro-2,2-bis(4'-chlorophenyl)ethylene|1,1-dichloro-2,2-bis(4-chlorophenyl)ethylene|1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene|2,2'-bis(4-chlorophenyl)-1,1-dichloroethylene|4,4'-DDE|DDE|p,p'-(Dichlorodiphenyl)-2,2-dichloroethylene|p,p'-DDE http://purl.obolibrary.org/obo/CHEBI_16598 3_STAR
CHEBI:16599 biolink:ChemicalSubstance 1,2-diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-glycerol KEGG:C04872 phenio.json 1,2-Diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-glycerol http://purl.obolibrary.org/obo/CHEBI_16599 3_STAR
CHEBI:16600 biolink:ChemicalSubstance mesaconic acid A dicarboxylic acid consisting of fumaric acid having a methyl substituent at the 2-position. CAS:498-24-8|HMDB:HMDB0000749|KEGG:C01732|PDBeChem:MEZ|PMID:16744171|PMID:6452974|PMID:6778884|Reaxys:1722680|Wikipedia:Mesaconic_acid phenio.json (2E)-2-methylbut-2-enedioic acid|(E)-2-Methyl-2-butenedioic acid|(E)-Citraconic acid|2-methylfumaric acid|Citronic acid|Mesaconic acid|Methylfumaric acid|trans-1-Propene-1,2-dicarboxylic acid|trans-2-Methyl-2-butenedioic acid http://purl.obolibrary.org/obo/CHEBI_16600 3_STAR
CHEBI:16602 biolink:ChemicalSubstance trichloroethene A member of the class of chloroethenes that is ethene substituted by chloro groups at positions 1, 1 and 2. CAS:79-01-6|Drug_Central:3628|Gmelin:184631|HMDB:HMDB0029593|KEGG:C06790|LINCS:LSM-37096|PDBeChem:TCV|PMID:10459493|PMID:11280697|PMID:14780843|PMID:15019957|PMID:16641322|PMID:24517489|PMID:25278505|PMID:33930529|PMID:8319644|Reaxys:1736782|UM-BBD_compID:c0009|Wikipedia:Trichloroethylene phenio.json 1,1,2-trichloroethene|1,1-dichloro-2-chloroethylene|Narcogen|TCE|Trichloraethen|Trichloraethylen|Trichloroethene|Trichloroethylene|acetylene trichloride|ethinyl trichloride|ethylene trichloride|trichlor|trichloraethylenum pro narcosi|trichlorethylene|trichloroethene|trichloroethylene|trichloroethylenum|triciene http://purl.obolibrary.org/obo/CHEBI_16602 3_STAR
CHEBI:16603 biolink:ChemicalSubstance DIMBOA glucoside A cyclic hydroxamic acid that is DIMBOA attached to a beta-D-glucopyranosyl residue at position 2 via a glycosidic linkage. CAS:18607-79-9|HMDB:HMDB0029710|KEGG:C04831|KNApSAcK:C00001538|PMID:20218532|PMID:24254087|Reaxys:1230506 phenio.json 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one glucoside|2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one 2-D-glucoside|4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside|DIMBOA glucoside http://purl.obolibrary.org/obo/CHEBI_16603 3_STAR
CHEBI:16605 biolink:ChemicalSubstance allyl alcohol A propenol in which the C=C bond connects C-2 and C-3. It is has been found in garlic (Allium sativum). Formerly used as a herbicide for the control of various grass and weed seeds. CAS:107-18-6|HMDB:HMDB0031652|KEGG:C02001|MetaCyc:ALLYL-ALCOHOL|PMID:18383315|PMID:24594943|PPDB:2698|Reaxys:605307|Wikipedia:Allyl_alcohol phenio.json 2-Propen-1-ol|2-Propenol|2-Propenyl alcohol|3-Hydroxypropene|Allyl alcohol|Vinyl carbinol|Vinylcarbinol|allyl alcohol|prop-2-en-1-ol http://purl.obolibrary.org/obo/CHEBI_16605 3_STAR
CHEBI:16606 biolink:ChemicalSubstance N-benzoyl-4-hydroxyanthranilic acid The N-benzoyl-4-hydroxy derivative of anthranilic acid. Beilstein:3354920|CAS:85915-70-4|KEGG:C04207 phenio.json 2-(benzoylamino)-4-hydroxybenzoic acid|2-benzamido-4-hydroxybenzoic acid|N-Benzoyl-4-hydroxyanthranilate http://purl.obolibrary.org/obo/CHEBI_16606 3_STAR
CHEBI:16607 biolink:ChemicalSubstance 4-aminoimidazole An aminoimidazole that is 1H-imidazole substituted by an amino group at position 4. CAS:4919-03-3|HMDB:HMDB0003929|KEGG:C05239|MetaCyc:CPD-54|Reaxys:1617 phenio.json 1H-imidazol-4-amine|4-Aminoimidazole|4-aminoimidazole|5-Aminoimidazole http://purl.obolibrary.org/obo/CHEBI_16607 3_STAR
CHEBI:16608 biolink:ChemicalSubstance 5alpha-cholest-8-en-3beta-ol A cholestanoid that is 5alpha-cholestane substituted by a beta-hydroxy group at position 3. CAS:566-97-2|HMDB:HMDB0006841|KEGG:C03845|LIPID_MAPS_instance:LMST01010096|MetaCyc:CPD-8621|PMID:5642322|Reaxys:2337227 phenio.json (5alpha)-cholest-8-en-3beta-ol|5alpha-Cholest-8-en-3beta-ol|5alpha-cholest-8-en-3beta-ol|Cholestenol|Zymostenol http://purl.obolibrary.org/obo/CHEBI_16608 3_STAR
CHEBI:16609 biolink:ChemicalSubstance 2-dehydro-D-glucopyranose The 2-dehydro derivative of D-glucose. KEGG:C02779 phenio.json 2-Dehydro-D-glucose|2-dehydro-D-glucose|D-arabino-hexopyranos-2-ulose http://purl.obolibrary.org/obo/CHEBI_16609 3_STAR
CHEBI:16610 biolink:ChemicalSubstance spermidine A triamine that is the 1,5,10-triaza derivative of decane. CAS:124-20-9|DrugBank:DB03566|Gmelin:454510|HMDB:HMDB0001257|KEGG:C00315|KNApSAcK:C00001431|LINCS:LSM-37075|MetaCyc:SPERMIDINE|PDBeChem:SPD|PMID:1176793|PMID:19801973|PMID:22770225|PMID:30306826|PMID:516181|PMID:6156039|PMID:7350997|Reaxys:1698591|Wikipedia:Spermidine phenio.json 1,5,10-triazadecane|4-azaoctamethylenediamine|4-azaoctane-1,8-diamine|N-(3-Aminopropyl)-1,4-butane-diamine|N-(3-aminopropyl)butane-1,4-diamine|SPERMIDINE|Spermidin|Spermidine http://purl.obolibrary.org/obo/CHEBI_16610 3_STAR
CHEBI:16613 biolink:ChemicalSubstance glutathionylspermidine The spermidine amide of glutathione. Beilstein:6540906|CAS:33932-35-3|DrugBank:DB03295|KEGG:C05730 phenio.json Glutathionylspermidine|L-gamma-glutamyl-L-cysteinyl-N-{3-[(4-aminobutyl)amino]propyl}glycinamide|N1-(gamma-L-Glutamyl-L-cysteinyl-glycyl)-spermidine http://purl.obolibrary.org/obo/CHEBI_16613 3_STAR
CHEBI:16615 biolink:ChemicalSubstance biotin amide A monocarboxylic acid amide derived from biotin. CAS:6929-42-6|HMDB:HMDB0001458|KEGG:C01893|MetaCyc:CPD-574|PMID:25185752|PMID:25380190|Reaxys:86836 phenio.json 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide|Biotin amide|biotin amide|biotinamide http://purl.obolibrary.org/obo/CHEBI_16615 3_STAR
CHEBI:16616 biolink:ChemicalSubstance 2-methylpropanal O-methyloxime An oxime O-ether that is 2-methylpropan-1-imine substituted by a methoxy group at the nitrogen atom. CAS:72705-01-2|KEGG:C03982|MetaCyc:2-METHYLPROPANAL-O-METHYLOXIME|Reaxys:8477792 phenio.json 2-Methylpropanal O-methyloxime|2-methylpropanal O-methyloxime|Isobutyraldoxime O-methyl ether|N-methoxy-2-methylpropan-1-imine http://purl.obolibrary.org/obo/CHEBI_16616 3_STAR
CHEBI:16617 biolink:ChemicalSubstance 1-acylglycerophosphoinositol A glycerophosphoinositol acylated at O(1) of the glycerol moiety. phenio.json 1-acylglycerophosphoinositols http://purl.obolibrary.org/obo/CHEBI_16617 3_STAR
CHEBI:16618 biolink:ChemicalSubstance 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate KEGG:C05981|MetaCyc:PHOSPHATIDYLINOSITOL-345-TRIPHOSPHATE phenio.json 1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-bisphosphate)|1-O-(3-sn-phosphatidyl)-1D-myo-inositol 3,4,5-tris(dihydrogen phosphate)|1-Phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate|PIP3|Phosphatidylinositol-3,4,5-trisphosphate|PtsIns(3,4,5)P3|PtsIns-3,4,5-P3 http://purl.obolibrary.org/obo/CHEBI_16618 3_STAR
CHEBI:16619 biolink:ChemicalSubstance (2-trans,6-trans)-farnesol The (2-trans,6-trans)-stereoisomer of farnesol. BPDB:2113|CAS:106-28-5|Gmelin:2210148|HMDB:HMDB0004305|KEGG:C01126|KNApSAcK:C00003132|LIPID_MAPS_instance:LMPR0103010001|MetaCyc:2-TRANS6-TRANS-FARNESOL|Reaxys:1723039 phenio.json (2-trans,6-trans)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol|(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol|(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol|(2E,6E)-Farnesol|(2E,6E)-farnesol|(E)-farnesol|(E,E)-farnesol|2-trans,6-trans-Farnesol|all-trans-farnesol|trans,trans-alpha-farnesol|trans,trans-farnesol|trans-Farnesol|trans-farnesol http://purl.obolibrary.org/obo/CHEBI_16619 3_STAR
CHEBI:16621 biolink:ChemicalSubstance N-phosphotaurocyamine The N-phospho derivative of taurocyamine. Beilstein:1802377|CAS:4189-99-5|KEGG:C03149 phenio.json 2-{[imino(phosphonoamino)methyl]amino}ethanesulfonic acid|N(omega)-Phosphotaurocyamine|N-Phosphotaurocyamine|Phosphotaurocyamine|Taurocyamine phosphate|Taurocyaminphosphate http://purl.obolibrary.org/obo/CHEBI_16621 3_STAR
CHEBI:16622 biolink:ChemicalSubstance 3-dehydro-2-deoxy-D-gluconic acid The 3-dehydro-2-deoxy derivative of D-gluconic acid. KEGG:C03926 phenio.json 2-deoxy-D-erythro-hex-3-ulosonic acid|3-Dehydro-2-deoxy-D-gluconate|3-dehydro-2-deoxy-D-gluconate http://purl.obolibrary.org/obo/CHEBI_16622 3_STAR
CHEBI:16624 biolink:ChemicalSubstance Leu-tRNA(Leu) KEGG:C02047 phenio.json L-Leucyl-tRNA|L-Leucyl-tRNA(Leu)|Leu-tRNA(Leu) http://purl.obolibrary.org/obo/CHEBI_16624 3_STAR
CHEBI:16625 biolink:ChemicalSubstance methylmalonyl-CoA A member of the class of malonyl-CoAs that is malonyl-CoA carrying a methyl group on the malony side chain. CAS:1264-45-5|HMDB:HMDB0001269|KEGG:C02557|MetaCyc:Methylmalonyl-CoA|PDBeChem:MCA|PMID:24329397|PMID:24568291|Reaxys:78364|Wikipedia:Methylmalonyl-CoA phenio.json 2-Methylmalonyl-CoA|2-methyl-3-oxopropanoyl-CoAs|2-methylmalonyl-CoA|3'-phosphoadenosine 5'-[3-(3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methyl-3-oxopropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl) dihydrogen diphosphate]|Methylmalonyl coemzyme A|Methylmalonyl coenzyme A|Methylmalonyl-CoA|methylmalonyl coenzyme A http://purl.obolibrary.org/obo/CHEBI_16625 3_STAR
CHEBI:16628 biolink:ChemicalSubstance methylguanidine A guanidine in which one of the amino hydrogens of guanidine itself is substituted by a methyl group. CAS:471-29-4|Gmelin:323399|HMDB:HMDB0001522|KEGG:C02294|MetaCyc:CPD-593|PDBeChem:MGX|PMID:14744621|PMID:17190852|PMID:17409514|PMID:19286340|PMID:21090628|PMID:22342614|Patent:PL391702|Reaxys:1738993 phenio.json 1-METHYLGUANIDINE|1-methylguanidine|MGX|Methylguanidin|Methylguanidine|Monomethyl guanidin|N-methylguanidine|N1-Methylguanidine|monomethylguanidine http://purl.obolibrary.org/obo/CHEBI_16628 3_STAR
CHEBI:16629 biolink:ChemicalSubstance 4-amino-2-methyl-5-diphosphooxymethylpyrimidine An aminopyrimidine that is pyrimidin-4-amine substituted by a methyl group at position 2 and a diphosphooxymethyl group at position 5. KEGG:C04752|KNApSAcK:C00007609|MetaCyc:AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP|Reaxys:763592 phenio.json (4-amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate|2-Methyl-4-amino-5-hydroxymethylpyrimidine diphosphate|4-Amino-2-methyl-5-diphosphomethylpyrimidine http://purl.obolibrary.org/obo/CHEBI_16629 3_STAR
CHEBI:16630 biolink:ChemicalSubstance 3-dehydroshikimate A monocarboxylic acid anion that is the conjugate base of 3-dehydroshikimic acid, arising from deprotonation of the carboxy group. Beilstein:2938338|KEGG:C02637|MetaCyc:3-DEHYDRO-SHIKIMATE phenio.json (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylate|3-dehydroshikimate http://purl.obolibrary.org/obo/CHEBI_16630 3_STAR
CHEBI:16631 biolink:ChemicalSubstance vitexin 2''-O-beta-D-glucoside A disaccharide derivative that is the 2''-O-glucosyl derivative of vitexin. CAS:61360-94-9|KEGG:C04024|KNApSAcK:C00006392|LIPID_MAPS_instance:LMPK12110248|PMID:23312385|Reaxys:6997398 phenio.json (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-2-O-beta-D-glucopyranosyl-D-glucitol|2''-O-Glucosylvitexin|Flavosativaside|Vitexin 2''-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_16631 3_STAR
CHEBI:16632 biolink:ChemicalSubstance vanillate A methoxybenzoate that is the conjugate base of vanillic acid. DrugBank:DB08711|KEGG:C06672|PDBeChem:VNL|Reaxys:6504377|UM-BBD_compID:c0194 phenio.json 4-HYDROXY-3-METHOXYBENZOATE|4-hydroxy-3-methoxybenzoate|vanillate http://purl.obolibrary.org/obo/CHEBI_16632 3_STAR
CHEBI:16633 biolink:ChemicalSubstance L-selenocysteine The L-enantiomer of selenocysteine. CAS:10236-58-5|ECMDB:ECMDB03288|HMDB:HMDB0003288|KEGG:C05688|MetaCyc:L-SELENOCYSTEINE|PDBeChem:SEC|PMID:11733012|PMID:18429173|Reaxys:2498378|Wikipedia:Selenocysteine phenio.json (2R)-2-amino-3-selanylpropanoic acid|3-selenyl-L-alanine|L-Selenocystein|L-Selenocysteine|L-Selenozystein|SELENOCYSTEINE|Selenocysteine http://purl.obolibrary.org/obo/CHEBI_16633 3_STAR
CHEBI:16634 biolink:ChemicalSubstance raffinose A trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 1<->2 glycosidic linkages, respectively. CAS:512-69-6|HMDB:HMDB0003213|KEGG:C00492|KEGG:G00249|KNApSAcK:C00001145|MetaCyc:CPD-1099|PDBeChem:RAF|PMID:23317449|PMID:23879777|PMID:23882273|PMID:24001862|PMID:24354450|PMID:24360500|Reaxys:99543|Wikipedia:Raffinose phenio.json 6G-alpha-D-galactosylsucrose|Gossypose|Melitose|Melitriose|Raffinose|alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf|alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranosyl beta-D-fructofuranoside|beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside|raffinose|rafinose|raflinose http://purl.obolibrary.org/obo/CHEBI_16634 3_STAR
CHEBI:16635 biolink:ChemicalSubstance Met-tRNA(Met) KEGG:C02430 phenio.json L-Methionyl-tRNA|L-Methionyl-tRNA(Met)|Met-tRNA(Met) http://purl.obolibrary.org/obo/CHEBI_16635 3_STAR
CHEBI:16638 biolink:ChemicalSubstance 3-methylbutanal A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives. CAS:590-86-3|HMDB:HMDB0006478|KEGG:C07329|MetaCyc:CPD-7031|PMID:23182362|PMID:24295708|Reaxys:773692|Wikipedia:Isovaleraldehyde phenio.json 3-Methylbutanal|3-methylbutanal|3-methylbutyraldehyde|Isoamyl aldehyde|Isopentaldehyde|Isovaleral|Isovaleraldehyde|Isovalerylaldehyde|beta-Methylbutanal|iso-C4H9CHO http://purl.obolibrary.org/obo/CHEBI_16638 3_STAR
CHEBI:16639 biolink:ChemicalSubstance 4-methoxybenzoate A methoxybenzoate that is the conjugate base of 4-methoxybenzoic acid. Gmelin:327894|KEGG:C02519|Reaxys:3905126|UM-BBD_compID:c0370 phenio.json 4-methoxybenzoate|p-methoxybenzoate http://purl.obolibrary.org/obo/CHEBI_16639 3_STAR
CHEBI:16641 biolink:ChemicalSubstance ethyl (R)-3-hydroxyhexanoate The (R)-enantiomer of ethyl 3-hydroxyhexanoate. KEGG:C03864|Reaxys:3601638 phenio.json Ethyl (R)-3-hydroxyhexanoate|ethyl (3R)-3-hydroxyhexanoate|ethyl (R)-3-hydroxyhexanoate http://purl.obolibrary.org/obo/CHEBI_16641 3_STAR
CHEBI:16643 biolink:ChemicalSubstance L-methionine The L-enantiomer of methionine. CAS:63-68-3|DrugBank:DB00134|Drug_Central:3347|ECMDB:ECMDB00696|Gmelin:26935|HMDB:HMDB0000696|KEGG:C00073|KEGG:D00019|KNApSAcK:C00001379|MetaCyc:MET|PDBeChem:MET_LFOH|PMID:16575097|PMID:21683740|PMID:21946918|PMID:22200379|PMID:22370952|PMID:22448874|PMID:22517898|PMID:24126240|PMID:24939187|PMID:5764336|Reaxys:1722294|YMDB:YMDB00318 phenio.json (2S)-2-amino-4-(methylsulfanyl)butanoic acid|(S)-2-amino-4-(methylthio)butanoic acid|(S)-2-amino-4-(methylthio)butyric acid|(S)-methionine|L-(-)-methionine|L-Methionin|L-Methionine|L-alpha-amino-gamma-methylmercaptobutyric acid|L-methionine|M|METHIONINE|Met|Methionine http://purl.obolibrary.org/obo/CHEBI_16643 3_STAR
CHEBI:16645 biolink:ChemicalSubstance preuroporphyrinogen Beilstein:1209089|CAS:71861-60-4|CAS:73023-76-4|KEGG:C01024|KNApSAcK:C00007374 phenio.json (hydroxymethyl)bilane|3,8,13,18-tetrakis(carboxymethyl)-19-(hydroxymethyl)bilane-2,7,12,17-tetrapropanoic acid|3,8,13,18-tetrakis(carboxymethyl)-5,10,15,22,23,24-hexahydro-19-(hydroxymethyl)-21H-biline-2,7,12,17-tetrapropanoic acid|Hydroxymethylbilane|preuroporphyrinogen http://purl.obolibrary.org/obo/CHEBI_16645 3_STAR
CHEBI:16646 biolink:ChemicalSubstance carbohydrate Any member of the class of organooxygen compounds that is a polyhydroxy-aldehyde or -ketone or a lactol resulting from their intramolecular condensation (monosaccharides); substances derived from these by reduction of the carbonyl group (alditols), by oxidation of one or more hydroxy groups to afford the corresponding aldehydes, ketones, or carboxylic acids, or by replacement of one or more hydroxy group(s) by a hydrogen atom; and polymeric products arising by intermolecular acetal formation between two or more such molecules (disaccharides, polysaccharides and oligosaccharides). Carbohydrates contain only carbon, hydrogen and oxygen atoms; prior to any oxidation or reduction, most have the empirical formula Cm(H2O)n. Compounds obtained from carbohydrates by substitution, etc., are known as carbohydrate derivatives and may contain other elements. Cyclitols are generally not regarded as carbohydrates. Wikipedia:Carbohydrate phenio.json Kohlenhydrat|Kohlenhydrate|a carbohydrate|carbohidrato|carbohidratos|carbohydrate|carbohydrates|glucide|glucides|glucido|glucidos|hydrates de carbone|saccharide|saccharides|saccharidum http://purl.obolibrary.org/obo/CHEBI_16646 3_STAR
CHEBI:16647 biolink:ChemicalSubstance L-fuculose 1-phosphate The 1-O-phospho derivative of L-fuculose. Beilstein:1881578|KEGG:C01099|KNApSAcK:C00019651 phenio.json 6-deoxy-1-O-phosphono-L-tagatose|6-deoxy-L-lyxo-hex-2-ulose 1-(dihydrogen phosphate)|6-deoxy-L-tagatose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16647 3_STAR
CHEBI:16648 biolink:ChemicalSubstance dialkyl phosphate phenio.json dialkyl phosphates http://purl.obolibrary.org/obo/CHEBI_16648 3_STAR
CHEBI:16650 biolink:ChemicalSubstance UDP-N-acetyl-D-galactosamine A UDP-sugar having N-acetyl-D-galactosamine as the sugar component. KEGG:G10611|PDBeChem:UD2 phenio.json UDP-N-acetyl-D-galactosamine|Uridine 5'-(trihydrogen diphosphate), P'-(2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl) ester|Uridine diphosphate N-acetylgalactosamine|uridine 5'-[3-(2-acetamido-2-deoxy-D-galactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16650 3_STAR
CHEBI:16651 biolink:ChemicalSubstance (S)-lactate An optically active form of lactate having (S)-configuration. Gmelin:324523|KEGG:C00186|MetaCyc:L-LACTATE|Reaxys:4655977|UM-BBD_compID:c0152 phenio.json (+)-lactate|(2S)-2-hydroxypropanoate|(S)-lactate|L(+)-lactate|L-(+)-lactate|L-lactate http://purl.obolibrary.org/obo/CHEBI_16651 3_STAR
CHEBI:16652 biolink:ChemicalSubstance 1,4-diguanidinobutane A guanidine derivative consisting of butane having guanidino groups at the 1- and 4-positions. CAS:544-05-8|KEGG:C03047|LINCS:LSM-6692 phenio.json 1,1'-(butane-1,4-diyl)diguanidine|1,4-Diguanidinobutane|Arcaine|N,N'''-1,4-Butanediylbisguanidine|Tetramethylenediguanide http://purl.obolibrary.org/obo/CHEBI_16652 3_STAR
CHEBI:16653 biolink:ChemicalSubstance cycloeucalenol CAS:469-39-6|KEGG:C02141|KNApSAcK:C00007367 phenio.json 3beta,4alpha,5alpha-4,14-dimethyl-9,19-cycloergost-24(28)-en-3-ol|4alpha,14-dimethyl-9beta,19-cyclo-5alpha-ergost-24(28)-en-3beta-ol|Cycloeucalenol|cycloeucalenol|cycloleucalenol http://purl.obolibrary.org/obo/CHEBI_16653 3_STAR
CHEBI:16654 biolink:ChemicalSubstance (R)-4-dehydropantoic acid The 4-dehydro derivative of (R)-pantoic acid. KEGG:C01053 phenio.json (2R)-2-hydroxy-3,3-dimethyl-4-oxobutanoic acid|(R)-4-Dehydropantoate|(R)-4-dehydropantoate http://purl.obolibrary.org/obo/CHEBI_16654 3_STAR
CHEBI:16655 biolink:ChemicalSubstance N-acetyl-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-D-galactosamine KEGG:C01310 phenio.json 2-acetamido-2-deoxy-D-galactopyranos-3-O-yl 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid|4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine|4-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine http://purl.obolibrary.org/obo/CHEBI_16655 3_STAR
CHEBI:16656 biolink:ChemicalSubstance tropinone Beilstein:1524439|Beilstein:4658547|CAS:532-24-1|DrugBank:DB01874|Gmelin:1568090|KEGG:C00783|PDBeChem:TNE phenio.json (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one|1alphaH,5alphaH-tropan-3-one|3-Tropanone|3-tropinone|8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE|8-methyl-8-azabicyclo[3.2.1]octan-3-one|N-methyl-8-azabicyclo[3.2.1]octan-3-one|Tropinon|Tropinone|tropan-3-one http://purl.obolibrary.org/obo/CHEBI_16656 3_STAR
CHEBI:16658 biolink:ChemicalSubstance flavonol 3-O-[beta-D-xylosyl-(1->2)-beta-D-glycoside]s Any glycosyloxyflavone that consists of a flavonol attached to a xylosylglycosyl residue at position 3 via a glycosidic linkage. KEGG:C04069 phenio.json Flavonol 3-O-D-xylosylglycoside|Flavonol 3-O-[D-xylosyl-(1->2)-beta-D-glycoside]|Flavonol 3-[beta-D-xylosyl-(1->2)-beta-D-glycoside]|a flavonol 3-O-[beta-D-xylosyl-(1->2)-beta-D-glycoside]|flavonol 3-O-[beta-D-xylosyl-(1->2)-beta-D-glycoside] http://purl.obolibrary.org/obo/CHEBI_16658 3_STAR
CHEBI:166589 biolink:ChemicalSubstance Dicyclohexyl disulfide CAS:2550-40-5|Chemspider:16423|HMDB:HMDB0041448 phenio.json (cyclohexyldisulanyl)cyclohexane http://purl.obolibrary.org/obo/CHEBI_166589 2_STAR
CHEBI:16659 biolink:ChemicalSubstance D-glycerate A glycerate that is the conjugate base of D-glyceric acid, obtained by deprotonation of the carboxy group. Gmelin:1146853|HMDB:HMDB0000139|KEGG:C00258|MetaCyc:GLYCERATE|Reaxys:6114954 phenio.json (2R)-2,3-dihydroxypropanoate|(R)-glycerate|(R)-glycerate anion|alpha,beta-Hydroxypropionate http://purl.obolibrary.org/obo/CHEBI_16659 3_STAR
CHEBI:166596 biolink:ChemicalSubstance Nitecapone CAS:116313-94-1|Chemspider:4576539|HMDB:HMDB0041949|KEGG:D03241|PDBeChem:EAO phenio.json 3-[(3,4-dihydroxy-5-nitrophenyl)methylidene]pentane-2,4-dione http://purl.obolibrary.org/obo/CHEBI_166596 2_STAR
CHEBI:16660 biolink:ChemicalSubstance (S)-4-hydroxymandelonitrile A 4-hydroxymandelonitrile that has (S)-configuration. CAS:13093-65-7|DrugBank:DB03430|KEGG:C03742|PDBeChem:DHR|Reaxys:3589471 phenio.json (2S)-hydroxy(4-hydroxyphenyl)acetonitrile|(S)-4-Hydroxymandelonitrile|(S)-4-hydroxymandelonitrile http://purl.obolibrary.org/obo/CHEBI_16660 3_STAR
CHEBI:16663 biolink:ChemicalSubstance poly-cis-polyprenyl diphosphate Any polyprenol diphosphate in which all of the tetrasubstituted C=C double bonds have cis configuration. KEGG:C04093 phenio.json poly-cis-polyprenyl diphosphates http://purl.obolibrary.org/obo/CHEBI_16663 3_STAR
CHEBI:16664 biolink:ChemicalSubstance albendazole A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a propylsulfanyl group at position 5. It is commonly used in the treatment of parasitic worm infestations. CAS:54965-21-8|DrugBank:DB00518|Drug_Central:103|HMDB:HMDB0014659|KEGG:C01779|KEGG:D00134|LINCS:LSM-3782|MetaCyc:ALBENDAZOLE|PMID:22152396|PMID:24403707|PMID:24411094|Pesticides:albendazole|Reaxys:752696|VSDB:895|Wikipedia:Albendazole phenio.json (5-(propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester|5-(propylthio)-2-carbomethoxyaminobenzimidazole|Albendazole|Albenza|Eskazole|O-methyl N-(5-(propylthio)-2-benzimidazolyl)carbamate|Proftril|Valbazen|Zentel|albendazole|methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate http://purl.obolibrary.org/obo/CHEBI_16664 3_STAR
CHEBI:16666 biolink:ChemicalSubstance prephenic acid An oxo dicarboxylic acid that consists of 4-hydroxycyclohexa-2,5-diene-1-carboxylic acid substituted by a 2-carboxy-2-oxoethyl group at position 1. AGR:IND44654981|CAS:126-49-8|DrugBank:DB08427|HMDB:HMDB0012283|KNApSAcK:C00019632|PDBeChem:PRE|PMID:1156090|PMID:13363412|PMID:14185725|PMID:155813|Reaxys:2698270|Wikipedia:Prephenic_acid phenio.json 1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-pyruvic acid|1-carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoic acid|PREPHENIC ACID|Prephenic acid http://purl.obolibrary.org/obo/CHEBI_16666 3_STAR
CHEBI:16667 biolink:ChemicalSubstance (4-hydroxyphenyl)acetonitrile A hydroxynitrile that is phenylacetonitrile substituted by a hydroxy group at position 4. CAS:14191-95-8|HMDB:HMDB0029757|KEGG:C03766|KNApSAcK:C00029532|MetaCyc:CPD-1074|PMID:9677329|Reaxys:1934470 phenio.json (4-hydroxyphenyl)acetonitrile|4-Hydroxybenzeneacetonitrile|4-Hydroxybenzyl cyanide|4-Hydroxybenzylcyanide|4-Hydroxyphenylacetonitrile|4-hydroxyphenylacetic acid nitrile|4-hydroxyphenylacetonitrile http://purl.obolibrary.org/obo/CHEBI_16667 3_STAR
CHEBI:16668 biolink:ChemicalSubstance hypotaurine An aminosulfinic acid comprising ethylamine having the sulfo group at the 2-position. CAS:300-84-5|HMDB:HMDB0000965|KEGG:C00519|MetaCyc:HYPOTAURINE|PMID:22735334|Reaxys:1743127|Wikipedia:Hypotaurine phenio.json 2-Aminoethanesulfinic acid|2-aminoethanesulfinic acid|Hypotaurine http://purl.obolibrary.org/obo/CHEBI_16668 3_STAR
CHEBI:16669 biolink:ChemicalSubstance 5-dehydro-2-deoxy-D-gluconate MetaCyc:CPD-827 phenio.json 2-deoxy-D-threo-hex-5-ulosonate|5-Dehydro-2-deoxy-D-gluconate|5-dehydro-2-deoxy-D-gluconate http://purl.obolibrary.org/obo/CHEBI_16669 3_STAR
CHEBI:16670 biolink:ChemicalSubstance peptide Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc. KEGG:C00012 phenio.json Peptid|Peptide|peptides|peptido|peptidos http://purl.obolibrary.org/obo/CHEBI_16670 3_STAR
CHEBI:16671 biolink:ChemicalSubstance 4-guanidinobutanal CAS:14049-14-0|KEGG:C02647 phenio.json 1-(4-oxobutyl)guanidine|4-Guanidinobutanal|N-(4-oxobutyl)guanidine http://purl.obolibrary.org/obo/CHEBI_16671 3_STAR
CHEBI:16673 biolink:ChemicalSubstance protochlorophyllide An analogue of chlorophyll that lacks the phytol side-chain. The parent of the protochlorophyllide class. Beilstein:7511448|CAS:20369-67-9|KEGG:C02880|PDBeChem:PMR|PMID:16668650|PMID:21190679|PMID:21678944|Reaxys:19512139|Wikipedia:Protochlorophyllide phenio.json Protochlorophyllide|protochlorophyllide a|{3-[(21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinyl-3,4-didehydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium|{3-[(21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3,4-didehydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium http://purl.obolibrary.org/obo/CHEBI_16673 3_STAR
CHEBI:16675 biolink:ChemicalSubstance quinolinic acid A pyridinedicarboxylic acid that is pyridine substituted by carboxy groups at positions 2 and 3. It is a metabolite of tryptophan. CAS:89-00-9|DrugBank:DB01796|Gmelin:201344|HMDB:HMDB0000232|KEGG:C03722|KNApSAcK:C00007381|PDBeChem:NTM|PMID:11226705|PMID:11462760|PMID:16008534|PMID:8724297|Reaxys:137110|Wikipedia:Quinolinic_acid phenio.json 2,3-Pyridinedicarboxylic acid|Pyridine-2,3-dicarboxylate|QUINOLINIC ACID|Quinolinic acid|pyridine-2,3-dicarboxylic acid http://purl.obolibrary.org/obo/CHEBI_16675 3_STAR
CHEBI:166776 biolink:ChemicalSubstance 20alpha-dihydroprednisolone A glucocorticoid that is prednisolone in which the oxo group at position 20 has been reduced to the corresponding alpha-hydroxy group. It is a metabolite of prednisolone. CAS:15847-24-2|Chemspider:27524367|PMID:2055997|PMID:23510304|PMID:28806969|PMID:34081842 phenio.json (11beta,20R)-11,17,20,21-tetrahydroxypregna-1,4-dien-3-one|(20R)-11beta,17,20,21-tetrahydroxypregna-1,4-dien-3-one|(20R)-hydroxyprednisolone|20(R)-hydroxy prednisolone|20alpha-dihydro-PRED|20alpha-dihydro-prednisolone|20alpha-hydroxy prednisolone|20alpha-hydroxyprednisolone http://purl.obolibrary.org/obo/CHEBI_166776 3_STAR
CHEBI:16680 biolink:ChemicalSubstance S-adenosyl-L-homocysteine An organic sulfide that is the S-adenosyl derivative of L-homocysteine. CAS:979-92-0|DrugBank:DB01752|Gmelin:692100|HMDB:HMDB0000939|KEGG:C00021|KNApSAcK:C00007230|MetaCyc:ADENOSYL-HOMO-CYS|PDBeChem:SAH|PMID:11700066|PMID:11746687|PMID:11961214|PMID:11997462|PMID:12767735|PMID:15026045|PMID:15057524|PMID:15542683|PMID:15645450|PMID:16109423|PMID:16197293|PMID:16197315|PMID:16253211|PMID:16423634|PMID:16519522|PMID:17044778|PMID:17172447|PMID:17300772|PMID:17439666|PMID:17726531|PMID:18976670|PMID:19249293|PMID:19357721|PMID:21837278|PMID:22225784|PMID:22455498|PMID:24145794|Reaxys:99188|Wikipedia:S-Adenosyl-L-homocysteine phenio.json (2S)-2-amino-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid|2-S-adenosyl-L-homocysteine|Adenosyl-L-homocysteine|AdoHcy|S-(5'-adenosyl)-L-homocysteine|S-(5'-deoxyadenosin-5'-yl)-L-homocysteine|S-ADENOSYL-L-HOMOCYSTEINE|S-Adenosyl-L-homocysteine|S-Adenosylhomocysteine|S-[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl]-L-homocysteine|SAH|adenosylhomocysteine http://purl.obolibrary.org/obo/CHEBI_16680 3_STAR
CHEBI:16681 biolink:ChemicalSubstance O-sinapoylglucaric acid KEGG:C02866 phenio.json O-Sinapoylglucarate http://purl.obolibrary.org/obo/CHEBI_16681 3_STAR
CHEBI:16682 biolink:ChemicalSubstance N-acetyl-beta-alanine The N-acetyl derivative of beta-alanine. CAS:3025-95-4|Gmelin:1317687|KEGG:C01073|MetaCyc:CPD-580|Reaxys:1704093 phenio.json 3-(acetylamino)propanoic acid|3-acetamidopropanoic acid|N-Acetyl-beta-alanine http://purl.obolibrary.org/obo/CHEBI_16682 3_STAR
CHEBI:166822 biolink:ChemicalSubstance EC 3.4.23.15 (renin) inhibitor An EC 3.4.23.* (aspartic endopeptidase) inhibitor that interferes with the activity of renin (EC 3.4.23.15). Wikipedia:Renin phenio.json EC 3.4.23.15 (renin) inhibitors|EC 3.4.23.15 inhibitor|EC 3.4.23.15 inhibitors|angiotensin-forming enzyme inhibitor|angiotensin-forming enzyme inhibitors|angiotensinogenase inhibitor|angiotensinogenase inhibitors|renin inhibitor|renin inhibitors http://purl.obolibrary.org/obo/CHEBI_166822 3_STAR
CHEBI:166823 biolink:ChemicalSubstance peptide antigen zwitterion Zwitterionic form of any peptide antigen obtained from the tranfer of a proton from the carboxy group to the amino group; major species at pH 7.3. PMID:23298205 phenio.json a peptide antigen http://purl.obolibrary.org/obo/CHEBI_166823 2_STAR
CHEBI:166824 biolink:ChemicalSubstance peptide antigen Any peptide displayed by major histocompatibility (MHC) molecules on antigen-presenting cells. Class I MHC accommodate 8 to 13-residue peptides whereas class II MHC can bind 10 to 30-residue peptides, the optimal size being 12 to 16 residues. PMID:23298205 phenio.json antigenic peptide http://purl.obolibrary.org/obo/CHEBI_166824 2_STAR
CHEBI:166825 biolink:ChemicalSubstance pentamethonium A quarternary ammonium cation that is cadaverine in which the terminal amino hydrogens are substituted methyl groups. Its bromide and iodide salt exhibits ganglionic blocking activity and used in the treatment of hypertension. CAS:2365-25-5|Drug_Central:3808|PMCID:PMC2069136|PMID:13012178|PMID:13031267|PMID:13082669|PMID:13203573|PMID:13433672|PMID:13519137|PMID:13528481|PMID:13659026|PMID:13728012|PMID:13922506|PMID:13936437|PMID:14412425|PMID:14431440|PMID:14814831|PMID:14914343|PMID:14957488|PMID:15405907|PMID:15409668|PMID:15437947|PMID:15444319|PMID:15445056|PMID:4390479|PMID:6850164 phenio.json 1,5-pentanediylbis(trimethylaminium)|N(1),N(1),N(1),N(5),N(5),N(5)-hexamethylpentane-1,5-bis(aminium)|N,N,N,N',N',N'-hexamethyl-1,5-pentanediaminium|N,N,N,N',N',N'-hexamethylpentane-1,5-bis(aminium)|pentamethonum|trimethyl-[5-(trimethylazaniumyl)pentyl]azanium http://purl.obolibrary.org/obo/CHEBI_166825 3_STAR
CHEBI:166828 biolink:ChemicalSubstance saccharolipid Lipids that contain a carbohydrate moiety. Wikipedia:Saccharolipid phenio.json saccharolipids http://purl.obolibrary.org/obo/CHEBI_166828 2_STAR
CHEBI:166829 biolink:ChemicalSubstance ochratoxin A(1-) A monocarboxylic acid anion that is conjugate base of ochratoxin A, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3. MetaCyc:CPD-22712|PMID:33096150|PMID:33137913|PMID:33166747 phenio.json (2S)-2-({[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-7-yl]carbonyl}amino)-3-phenylpropanoate|(2S)-2-{[(3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-7-carbonyl]amino}-3-phenylpropanoate|ochratoxin A http://purl.obolibrary.org/obo/CHEBI_166829 3_STAR
CHEBI:16683 biolink:ChemicalSubstance 2,3,6-trihydroxypyridine CAS:39954-19-3|KEGG:C03458|UM-BBD_compID:c0475 phenio.json 2,3,6-Trihydroxypyridine|2,3,6-trihydroxypyridine|pyridine-2,3,6-triol http://purl.obolibrary.org/obo/CHEBI_16683 3_STAR
CHEBI:166831 biolink:ChemicalSubstance copper chelator A chelator that is any compound containing a ligand (typically organic) which is able to form a bond to a central copper atom at two or more points. PMID:24934357|PMID:29710396 phenio.json copper chelate|copper chelating agent|copper chelating agents|copper chelator|copper chelators http://purl.obolibrary.org/obo/CHEBI_166831 3_STAR
CHEBI:16684 biolink:ChemicalSubstance atropine A racemate composed of equimolar concentrations of (S)- and (R)-atropine . It is obtained from deadly nightshade (Atropa belladonna) and other plants of the family Solanaceae. Beilstein:4236545|CAS:51-55-8|DrugBank:DB00572|HMDB:HMDB0014712|KEGG:C01479|KEGG:D00113|PMID:15374592|PMID:18369575|Reaxys:1545928 phenio.json (+,-)-tropyl tropate|(+-)-atropine|(+-)-hyoscyamine|(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate|8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate|8-methyl-8-azabicyclo[3.2.1]oct-3-yl tropate|Atropin|Atropine|[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl] 3-hydroxy-2-phenyl-propanoate|atropina|dl-Hyoscyamine|dl-tropyltropate|rac-(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate|rac-tropan-3alpha-yl 3-hydroxy-2-phenylpropanoate|tropine tropate http://purl.obolibrary.org/obo/CHEBI_16684 3_STAR
CHEBI:16685 biolink:ChemicalSubstance 5-(3-carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylic acid phenio.json 5-(3-Carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylate|5-(3-carboxy-3-oxoprop-1-en-1-yl)-4,6-dihydroxypyridine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_16685 3_STAR
CHEBI:166856 biolink:ChemicalSubstance hydroxytrimethylaminium A methylated tertiary amine that is trimethylammonium in which the hydrogen attached to the nitrogen is replaced by a hydroxy group. phenio.json (CH3)3NOH|hydroxy(trimethyl)ammonium|hydroxy(trimethyl)azanium|hydroxytrimethylazanium http://purl.obolibrary.org/obo/CHEBI_166856 3_STAR
CHEBI:166868 biolink:ChemicalSubstance (5S)-C-methyl-L-argininium residue MetaCyc:Methyl-Coenzyme-M-Reductase-C5m-Arg|PMID:31113866 phenio.json (5S)-C-methyl-L-arginine residue http://purl.obolibrary.org/obo/CHEBI_166868 2_STAR
CHEBI:16688 biolink:ChemicalSubstance ecdysone A 6-oxo steroid that is 5beta-cholest-7-en-6-one substituted by hydroxy groups at positions 2, 3, 14, 22 and 25 respectively (the 2beta, 3beta, 22R stereoisomer). It is a steroid prohormone of the major insect moulting hormone 20-hydroxyecdysone. CAS:3604-87-3|KEGG:C00477|KNApSAcK:C00003651|LIPID_MAPS_instance:LMST01010210|PMID:19342482|PMID:22310011|PMID:22828514|PMID:23017214|PMID:23072462|Reaxys:2422986|Wikipedia:Ecdysone phenio.json (22R)-2beta,3beta,14,22,25-pentahydroxy-5beta-cholest-7-en-6-one|(22R)-2beta,3beta,14alpha,22,25-pentahydroxy-5beta-cholest-7-en-6-one|(2beta,3beta,5beta,22R)-2,3,14,22,25-pentahydroxycholest-7-en-6-one|Ecdysone|ecdysone http://purl.obolibrary.org/obo/CHEBI_16688 3_STAR
CHEBI:16689 biolink:ChemicalSubstance D-apiose CAS:639-97-4|KEGG:C01488 phenio.json 3-C-(hydroxymethyl)-D-glycero-tetrose|3-C-Hydroxymethyltetrose|Apiose|D-Api|D-Apiose|aldehydo-D-apiose http://purl.obolibrary.org/obo/CHEBI_16689 3_STAR
CHEBI:166899 biolink:ChemicalSubstance globulin type One of the major classifications of proteins, which may be further divided into the euglobulins and the pseudoglobulins. The former group is insoluble in water but soluble in saline solutions and may be precipitated in water that has been half-saturated with a salt such as ammonium sulfate. The latter group is soluble in water and has properties that resemble those of the true globulins. Globulins are an important source of protein in seed plants and are found in minute amounts in cereals. Globulins found in animal fluids are enzymes, antibodies, and fibrous and contractile proteins usually contained in the blood plasma. Wikipedia:https://en.wikipedia.org/wiki/Globulin phenio.json http://purl.obolibrary.org/obo/CHEBI_166899 2_STAR
CHEBI:16690 biolink:ChemicalSubstance guanosine 3'-diphosphate 5'-triphosphate A guanosine bisphosphate having a diphosphate at the 3'-position and a triphosphate at the 5'-position. Beilstein:1205996|CAS:38918-96-6|KEGG:C04494 phenio.json Guanosine 3'-diphosphate 5'-triphosphate|Guanosine 5'-triphosphate,3'-diphosphate|Guanosine pentaphosphate|guanosine 5'-(tetrahydrogen triphosphate) 3'-(trihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_16690 3_STAR
CHEBI:166902 biolink:ChemicalSubstance noradrenaline(1+) phenio.json noradrenaline http://purl.obolibrary.org/obo/CHEBI_166902 2_STAR
CHEBI:166904 biolink:ChemicalSubstance glycosyldiradylglycerol Any glycerolipid that is glycerol bearing a glycosyl group and two further substituent groups - either acyl, alkyl, or alk-1-enyl - at the remaining two positions. phenio.json http://purl.obolibrary.org/obo/CHEBI_166904 2_STAR
CHEBI:16691 biolink:ChemicalSubstance dethiobiotin A hexanoic acid having a 5-methyl-2-oxoimidazolidin-4-yl group at the 6-position. Beilstein:177518|CAS:533-48-2|HMDB:HMDB0003581|KEGG:C01909|KNApSAcK:C00000757|PMID:12730407|PMID:21621502|PMID:22326745|Reaxys:84958 phenio.json 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoic acid|Desthiobiotin|Dethiobiotin http://purl.obolibrary.org/obo/CHEBI_16691 3_STAR
CHEBI:16692 biolink:ChemicalSubstance diphthamide residue An alpha-amino-acid residue derived from diphthamide. KEGG:C02872|PDBeChem:DDE|RESID:AA0040 phenio.json 2'-[3-carboxamido-3-(trimethylammonio)propyl]-L-histidine|2-[(3R)-3-carbamoyl-3-(trimethylammonio)propyl]-L-histidyl|Diphthamide|EF-2 diphthamide|Elongation factor 2 diphthamide|Peptide diphthamide|diphthamide residue|peptidyl-diphthamide|{3-[4-(2-AMINO-2-CARBOXY-ETHYL)-1H-IMIDAZOL-2-YL]-1-CARBAMOYL-PROPYL}-TRIMETHYL-AMMONIUM http://purl.obolibrary.org/obo/CHEBI_16692 3_STAR
CHEBI:16693 biolink:ChemicalSubstance ADP-D-glycero-D-manno-heptose KEGG:C06397 phenio.json ADP-D-glycero-D-manno-heptose|adenine 5'-[3-(D-glycero-D-manno-heptopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16693 3_STAR
CHEBI:16694 biolink:ChemicalSubstance 5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one A cyclic ketone comprising cyclohexen-2-one having hydroxy groups at the 2- and 6-positions and a hydroxymethyl group at the 5-position. KEGG:C04815 phenio.json (5S,6S)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one|5-D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one|5D-(5/6)-2,6-dihydroxy-5-(hydroxymethyl)cyclohex-2-en-1-one|5D-(5/6)-5-C-(Hydroxymethyl)-2,6-dihydroxy-2-cyclohexen-1-one|5D-(5/6)-5-C-(hydroxymethyl)-2,6-dihydroxycyclohex-2-en-1-one http://purl.obolibrary.org/obo/CHEBI_16694 3_STAR
CHEBI:166942 biolink:ChemicalSubstance PC(14:0_18:1) phenio.json PC 14:0_18:1 http://purl.obolibrary.org/obo/CHEBI_166942 2_STAR
CHEBI:166943 biolink:ChemicalSubstance PC(15:0_18:2) phenio.json PC 15:0_18:2 http://purl.obolibrary.org/obo/CHEBI_166943 2_STAR
CHEBI:166944 biolink:ChemicalSubstance PC(17:0_18:2) A phosphatidylcholine 35:2 in which one acyl group has 17 carbons and is fully saturated while the other has 18 carbons and 2 double bonds (position not specified). phenio.json PC 17:0_18:2|phosphatidylcholine 17:0_18:2|phosphatidylcholine(17:0_18:2) http://purl.obolibrary.org/obo/CHEBI_166944 2_STAR
CHEBI:166945 biolink:ChemicalSubstance PC(17:0_20:4) A phosphatidylcholine 37:4 in which one acyl group has 17 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified). phenio.json PC 17:0_20:4|phosphatidylcholine 17:0_20:4|phosphatidylcholine(17:0_20:4) http://purl.obolibrary.org/obo/CHEBI_166945 2_STAR
CHEBI:16695 biolink:ChemicalSubstance uridine 5'-monophosphate A pyrimidine ribonucleoside 5'-monophosphate having uracil as the nucleobase. CAS:58-97-9|DrugBank:DB03685|Gmelin:310455|HMDB:HMDB0000288|KEGG:C00105|KNApSAcK:C00007311|MetaCyc:UMP|PDBeChem:U5PrF10|PDBeChem:UrF10|PMID:22735334|PMID:2559771|Reaxys:47486|Wikipedia:Uridine_monophosphate phenio.json 5'-UMP|5'-uridylic acid|5'Uridylic acid|UMP|URIDINE-5'-MONOPHOSPHATE|Uridine 5'-monophosphate|Uridine monophosphate|Uridylic acid|pU|uridine 5'-(dihydrogen phosphate)|uridine 5'-phosphate|uridine 5'-phosphoric acid|uridylate http://purl.obolibrary.org/obo/CHEBI_16695 3_STAR
CHEBI:16696 biolink:ChemicalSubstance 3-methylthiopropylamine A derivative of propylamine having a methylmercapto group at the 3-position. Beilstein:1731211|CAS:4104-45-4|Gmelin:486042|KEGG:C03354 phenio.json 3-(methylsulfanyl)propan-1-amine|3-(methylthio)-1-propanamine|3-Methylthiopropanamine|3-Methylthiopropylamine|3-methylthiopropylamine http://purl.obolibrary.org/obo/CHEBI_16696 3_STAR
CHEBI:166964 biolink:ChemicalSubstance albumin type Family of globular proteins, the most common of which are the serum albumins. All the proteins of the albumin family are water-soluble, moderately soluble in concentrated salt solutions, and experience heat denaturation. PMID:32481022|Wikipedia:https://en.wikipedia.org/wiki/Albumin#Other_albumin_types phenio.json http://purl.obolibrary.org/obo/CHEBI_166964 2_STAR
CHEBI:166975 biolink:ChemicalSubstance soybean oil An oil extracted from the seeds of Glycine max. Typical fatty acid composition is 51% linoleic acid, 7-10% alpha-linolenic acid, 23% oleic acid, 10% palmitic acid and 4% stearic acid. AGR:IND605943385|CAS:8001-22-7|DrugBank:DB09422|KEGG:D04962|PMID:19783644|PMID:26365705|PMID:32625705|PMID:33357113|Wikipedia:Soybean_oil phenio.json Intrafat|Intralipid|extract of soy|oils, soybean|soy bean oil|soy oil|soy-bean oil|soya bean oil|soya oil|soya-bean oil http://purl.obolibrary.org/obo/CHEBI_166975 3_STAR
CHEBI:16698 biolink:ChemicalSubstance cyanamide A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group. CAS:420-04-2|DrugBank:DB02679|Gmelin:784|KEGG:C01566|KEGG:D00123|PDBeChem:CNN|PMID:15991038|PMID:17989515|PMID:24429000|PMID:24709147|PPDB:184|Reaxys:1732569|UM-BBD_compID:c0597|Wikipedia:Cyanamide phenio.json CYANAMIDE|Carbodiimide|Cyanamide|H2N-C#N|NH2CN|amidocyanogen|carbamonitrile|cyanamide|cyanoamine http://purl.obolibrary.org/obo/CHEBI_16698 3_STAR
CHEBI:166986 biolink:ChemicalSubstance alkyldiacylglyceride A triradylglycerol with a single alkyl substituent and two acyl substituents at unspecified positions. phenio.json alkyldiacylglycerides|alkyldiacylglycerol|alkyldiacylglycerols|monoalkyldiacylglycerol|monoalkyldiacylglycerols http://purl.obolibrary.org/obo/CHEBI_166986 3_STAR
CHEBI:166988 biolink:ChemicalSubstance glycerophosphoglycerophosphoglycerol A glycerophospholipid composed of two molecules of glycerol phosphate covalently linked to a molecule of glycerol, and in which each of the glycerol phosphate moieties may be esterified to one or two fatty acids. phenio.json GPGPG http://purl.obolibrary.org/obo/CHEBI_166988 2_STAR
CHEBI:16699 biolink:ChemicalSubstance 2-dehydro-3-deoxy-D-arabinonate MetaCyc:2-DH-3-DO-D-ARABINONATE phenio.json (4S)-4,5-dihydroxy-2-oxopentanoate|2-Dehydro-3-deoxy-D-arabinonate|2-dehydro-3-deoxy-D-arabinonate|3-deoxy-D-glycero-pent-2-ulosonate http://purl.obolibrary.org/obo/CHEBI_16699 3_STAR
CHEBI:166999 biolink:ChemicalSubstance tomatidine(1+) PMID:9076990 phenio.json tomatidine http://purl.obolibrary.org/obo/CHEBI_166999 2_STAR
CHEBI:1670 biolink:ChemicalSubstance 3-ureidoisobutyric acid A ureidocarboxylic acid that is 2-methylpropanoic acid substituted by a carbamoylamino group at position 3. CAS:2905-86-4|HMDB:HMDB0002031|KEGG:C05100|MetaCyc:3-UREIDO-ISOBUTYRATE|PMID:11675655|Reaxys:1768736 phenio.json 3-((aminocarbonyl)amino)-2-methylpropanoic acid|3-Ureidoisobutyrate|3-carbamoylamino-2-methylpropanoic acid|beta-UBA|beta-ureidoisobutyric acid http://purl.obolibrary.org/obo/CHEBI_1670 3_STAR
CHEBI:16700 biolink:ChemicalSubstance indican CAS:487-60-5|KEGG:C08481|KNApSAcK:C00001541 phenio.json 1H-indol-3-yl beta-D-glucopyranoside|Indican|Indican, plant|indican http://purl.obolibrary.org/obo/CHEBI_16700 3_STAR
CHEBI:16701 biolink:ChemicalSubstance nucleoside 5'-phosphate A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-5 of the ribose ring is mono-, di-, tri- or tetra-phosphorylated. KEGG:C01117 phenio.json Nucleoside 5'-phosphate|nucleoside 5'-phosphates http://purl.obolibrary.org/obo/CHEBI_16701 3_STAR
CHEBI:16702 biolink:ChemicalSubstance N-sulfo-D-glucosamine The N-sulfoglucosamine formed by sulfating the amino group of D-glucosamine. KEGG:C01075|PMID:22846255|PMID:5775690|Reaxys:10446611 phenio.json 2-deoxy-2-sulfoamino-D-glucopyranose|N-Sulfo-D-glucosamine http://purl.obolibrary.org/obo/CHEBI_16702 3_STAR
CHEBI:16704 biolink:ChemicalSubstance uridine A ribonucleoside composed of a molecule of uracil attached to a ribofuranose moiety via a beta-N(1)-glycosidic bond. CAS:58-96-8|DrugBank:DB02745|ECMDB:ECMDB00296|Gmelin:397474|HMDB:HMDB0000296|KEGG:C00299|KNApSAcK:C00019674|MetaCyc:URIDINE|PDBeChem:URI|PMID:12084455|PMID:15621516|PMID:16839635|PMID:17190852|PMID:22392515|PMID:22770225|Reaxys:754904|Wikipedia:Uridine|YMDB:YMDB00127 phenio.json 1-beta-D-ribofuranosylpyrimidine-2,4(1H,3H)-dione|1-beta-D-ribofuranosyluracil|URIDINE|Urd|Uridin|Uridine|beta-Uridine|u|uridine http://purl.obolibrary.org/obo/CHEBI_16704 3_STAR
CHEBI:167041 biolink:ChemicalSubstance phosphatidylserine 32:1 phenio.json PS 32:1|PS(32:1)|phosphatidylserine(32:1) http://purl.obolibrary.org/obo/CHEBI_167041 2_STAR
CHEBI:167046 biolink:ChemicalSubstance mannosyl-alpha-1->6-inositol-1-phospho-N-(2-hydroxyacyl)-phytoceramide(1-) A mannosylinositol phosphorylceramide in which the acyl group is hydroxylated at position 2 and the ceramide base is hydroxylated at position 4. phenio.json N-(2-hydroxyacyl)-4R-hydroxysphingoid base 1-phospho-[(D-mannopyranosyl-alpha-1->6)-1D-myo-inositol](1-)|an alpha-D-mannosylinositol-1-phospho-N-(2-hydroxyacyl)-4R-hydroxysphingoid base http://purl.obolibrary.org/obo/CHEBI_167046 2_STAR
CHEBI:16705 biolink:ChemicalSubstance 6-aminopenicillanic acid A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics. Beilstein:959078|CAS:551-16-6|Gmelin:1876702|KEGG:C02954|PDBeChem:X1E|PMID:12569987|PMID:1384868|PMID:14687482|PMID:1701026|PMID:20970923|PMID:21614893|PMID:24293403|PMID:24389703|PMID:24631718|PMID:25057428|PMID:26852849|PMID:26986755|PMID:6166603|Patent:US2941995|Reaxys:15080|Wikipedia:6-APA phenio.json (+)-6-aminopenicillanic acid|(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6-APA|6-Aminopenicillamine acid|6-Aminopenicillanate|6-Aminopenicillanic acid|6-Apa|6-Aps|6-amino-2,2-dimethylpenam-3alpha-carboxylic acid|6beta-aminopenicillanic acid|Aminopenicillanic acid|Penicin|Penin|Phenacyl 6-aminopenicillinate http://purl.obolibrary.org/obo/CHEBI_16705 3_STAR
CHEBI:167055 biolink:ChemicalSubstance Jasmonate derivatives Any octanoid that is derived from jasmonate. phenio.json http://purl.obolibrary.org/obo/CHEBI_167055 2_STAR
CHEBI:167056 biolink:ChemicalSubstance polyprenol diphosphate(3-) phenio.json polyprenol diphosphate http://purl.obolibrary.org/obo/CHEBI_167056 2_STAR
CHEBI:167057 biolink:ChemicalSubstance monolysocardiolipin(2-) The organophosphate oxoanion formed from any monolysocardiolipin by deprotonation of the two phospho groups; principal species present at pH 7.3 phenio.json a monolysocardiolipin http://purl.obolibrary.org/obo/CHEBI_167057 2_STAR
CHEBI:16706 biolink:ChemicalSubstance 2-iodophenol Beilstein:1855300|CAS:533-58-4|Gmelin:406034|KEGG:C01874 phenio.json 2-Iodophenol|2-Jodphenol|2-iodophenol|o-Jodphenol|o-iodophenol http://purl.obolibrary.org/obo/CHEBI_16706 3_STAR
CHEBI:16708 biolink:ChemicalSubstance adenine The parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6. CAS:73-24-5|DrugBank:DB00173|Drug_Central:89|Gmelin:3903|HMDB:HMDB0000034|KEGG:C00147|KEGG:D00034|KNApSAcK:C00001490|MetaCyc:ADENINE|PDBeChem:ADE|PMID:11985597|PMID:12829005|PMID:12951489|PMID:15063338|PMID:15715490|PMID:17439666|PMID:8070089|Reaxys:608603|Wikipedia:Adenine phenio.json 6-Aminopurine|9H-purin-6-amine|A|ADENINE|Ade|Adenin|Adenine|adenine http://purl.obolibrary.org/obo/CHEBI_16708 3_STAR
CHEBI:16709 biolink:ChemicalSubstance pyridoxine A hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is converted intoto pyridoxal phosphate which is a coenzyme for synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. AGR:IND607198670|CAS:65-23-6|Chemspider:1025|DrugBank:DB00165|Drug_Central:2836|FooDB:FDB000574|Gmelin:563676|HMDB:HMDB0000239|KEGG:C00314|KEGG:D08454|KNApSAcK:C00001551|LINCS:LSM-5324|MetaCyc:PYRIDOXINE|PDBeChem:UEG|PMID:10687314|PMID:10894227|PMID:11562405|PMID:12640345|PMID:12768081|PMID:13046427|PMID:15132238|PMID:15369738|PMID:15756083|PMID:16236150|PMID:16277693|PMID:16690736|PMID:17044573|PMID:22932811|PMID:24035968|PMID:24601602|PMID:2580028|PMID:27113583|PMID:2885064|PMID:31093449|PMID:32105687|PMID:33549283|PMID:33665688|PMID:3710434|PMID:559690|PMID:6624427|PMID:6801073|PMID:9625217|Reaxys:139854|Wikipedia:Pyridoxine phenio.json 2-Methyl-3-hydroxy-4,5-dihydroxymethyl-pyridin|2-methyl-3-hydroxy-4,5-bis(hydroxymethyl)pyridine|2-methyl-3-hydroxy-4,5-di(hydroxymethyl)pyridine|2-methyl-3-hydroxy-4,5-dihydroxymethylpyridine|2-methyl-4,5-bis(hydroxymethyl)-3-hydroxypyridine|2-methyl-4,5-dimethylol-pyridin-3-ol|3-hydroxy-2-picoline-4,5-dimethanol|3-hydroxy-4,5-bis(hydroxymethyl)-2-methylpyridine|3-hydroxy-4,5-dimethylol-alpha-picoline|4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol|4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol|5-hydroxy-6-methyl-3,4-pyridinedimethanol|Pyridoxol|piridossina|pyridoxina|pyridoxine|pyridoxinum|pyridoxolum|vitamin B6 http://purl.obolibrary.org/obo/CHEBI_16709 3_STAR
CHEBI:167095 biolink:ChemicalSubstance secondary fatty alcohol A fatty alcohol consisting of a chain of 3 to greater than 27 carbon atoms in which a hydroxy group is attached to a saturated carbon atom different from the terminal carbons. Secondary fatty alcohols may be saturated or unsaturated and may be branched or unbranched. phenio.json a secondary fatty alcohol http://purl.obolibrary.org/obo/CHEBI_167095 2_STAR
CHEBI:167097 biolink:ChemicalSubstance trihexosylceramide sulfate An organosulfate oxoanion obtained by deprotonation of the sulfate group of any trihexosylceramide sulfate; major species at pH 7.3. phenio.json http://purl.obolibrary.org/obo/CHEBI_167097 2_STAR
CHEBI:167098 biolink:ChemicalSubstance N-(fatty acyl)-ethanolamine an N-acyl-ethanolamine where the acyl group is a fatty acyl chain with composition not specified, major species at pH 7.3. phenio.json an N-(fatty acyl)-ethanolamine http://purl.obolibrary.org/obo/CHEBI_167098 2_STAR
CHEBI:16710 biolink:ChemicalSubstance D-ribulose 1,5-bisphosphate A ribulose phosphate that is D-ribulose attached to phosphate groups at positions 1 and 5. It is an intermediate in photosynthesis. CAS:24218-00-6|ECMDB:ECMDB20145|KEGG:C01182|KNApSAcK:C00007293|MetaCyc:D-RIBULOSE-15-P2|PDBeChem:RUB|PMID:15219406|PMID:23301499|Reaxys:2299163|Wikipedia:Ribulose-1,5-bisphosphate phenio.json 1,5-di-O-phosphono-D-erythro-pent-2-ulose|1,5-di-O-phosphono-D-ribulose|D-Ribulose 1,5-bisphosphate|D-erythro-pentulose 1,5-bis(dihydrogen phosphate)|D-ribulose 1,5-bis(dihydrogen phosphate)|RIBULOSE-1,5-DIPHOSPHATE http://purl.obolibrary.org/obo/CHEBI_16710 3_STAR
CHEBI:167105 biolink:ChemicalSubstance cholestane conjugate Any cholestanoid where the cholestane is conjugated. phenio.json http://purl.obolibrary.org/obo/CHEBI_167105 2_STAR
CHEBI:167107 biolink:ChemicalSubstance estrane conjugate Any estranoid where the estrane is conjugated. phenio.json http://purl.obolibrary.org/obo/CHEBI_167107 2_STAR
CHEBI:167108 biolink:ChemicalSubstance pregnane conjugate Any pregnane derivative where the pregnane is conjugated. phenio.json a pregnane conjugate http://purl.obolibrary.org/obo/CHEBI_167108 2_STAR
CHEBI:167109 biolink:ChemicalSubstance acyl sugars Any saccharolipid having one or more sugars bound to fatty acyl chain(s). PMID:15691016 phenio.json http://purl.obolibrary.org/obo/CHEBI_167109 2_STAR
CHEBI:16711 biolink:ChemicalSubstance 4-hydroxybut-2-ynal Beilstein:1699178|KEGG:C02648 phenio.json 4-Hydroxy-2-butynal|4-Hydroxybut-2-ynal|4-hydroxy-2-butynal|4-hydroxybut-2-ynal http://purl.obolibrary.org/obo/CHEBI_16711 3_STAR
CHEBI:167114 biolink:ChemicalSubstance 2-hydroxydicarboxylate(2-) Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group. Major species at pH 7.3. phenio.json a 2-hydroxydicarboxylate http://purl.obolibrary.org/obo/CHEBI_167114 2_STAR
CHEBI:167118 biolink:ChemicalSubstance oxidized N-(fatty acyl)-ethanolamine Any N-acylethanolamine having an oxidized fatty acyl component. phenio.json oxidized N-(fatty acyl)-ethanolamine|oxygenated N-(fatty acyl)-ethanolamine http://purl.obolibrary.org/obo/CHEBI_167118 2_STAR
CHEBI:16712 biolink:ChemicalSubstance (S)-3-sulfolactic acid Beilstein:2441637|KEGG:C11499 phenio.json (2S)-2-hydroxy-3-sulfopropanoic acid http://purl.obolibrary.org/obo/CHEBI_16712 3_STAR
CHEBI:16714 biolink:ChemicalSubstance codeine A morphinane alkaloid found in the opium poppy, Papaver somniferum var. album; has analgesic, anti-tussive and anti-diarrhoeal properties. Beilstein:5303198|Beilstein:5768734|CAS:76-57-3|DrugBank:DB00318|Drug_Central:725|Gmelin:232454|KEGG:C06174|KNApSAcK:C00001837|PMID:2215478|PMID:23507688|PMID:24069665|PMID:24176887|PMID:24324229|PMID:24396053|PMID:24458010|PMID:24491926|PMID:24517264|PMID:9776433|Reaxys:94996|Wikipedia:Codeine phenio.json (-)-Codeine|(1S,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0(1,13).0(5,17).0(7,18)]octadeca-7(18),8,10,15-tetraen-14-ol|(5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol|3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6alpha-ol|7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol|Codein|Codeine|Codicept|Coducept|O(3)-methylmorphine|codeina|codeine|codeine anhydrous|l-codeine|methylmorphine|morphine 3-methyl ether|morphine monomethyl ether|morphine-3-methyl ether http://purl.obolibrary.org/obo/CHEBI_16714 3_STAR
CHEBI:167148 biolink:ChemicalSubstance 1-linoleoyl-2-acyl-sn-glycero-3-phosphocholine A phosphatidylcholine having a linoleoyl at sn-1 and a fatty acyl chain of unknown composition at sn-2. Major species at pH 7.3. phenio.json 1-(9Z,12Z-octadecadienoyl)-2-acyl-sn-glycero-3-phosphocholine http://purl.obolibrary.org/obo/CHEBI_167148 2_STAR
CHEBI:16715 biolink:ChemicalSubstance 1,5-anhydro-D-fructose KEGG:C06485|MetaCyc:15-ANHYDRO-D-FRUCTOSE|PDBeChem:NHF phenio.json 1,5-Anhydro-D-fructose|1,5-anhydro-D-fructose|1,5-anhydro-D-threo-hex-2-ulose http://purl.obolibrary.org/obo/CHEBI_16715 3_STAR
CHEBI:16716 biolink:ChemicalSubstance benzene A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system. CAS:71-43-2|Gmelin:1671|HMDB:HMDB0001505|KEGG:C01407|PDBeChem:BNZ|PMID:11684179|PMID:11993966|PMID:12857942|PMID:14677922|PMID:15468289|PMID:15935818|PMID:16161967|PMID:17373369|PMID:18072742|PMID:18407866|PMID:18409691|PMID:18836923|PMID:19228219|PMID:21325737|PMID:23088855|PMID:23222815|PMID:23534829|PMID:6353911|PMID:8124204|Reaxys:969212|UM-BBD_compID:c0142|Wikipedia:Benzene phenio.json BENZENE|Benzen|Benzene|Benzine|Benzol|Bicarburet of hydrogen|Coal naphtha|Mineral naphtha|Phene|Pyrobenzol|Pyrobenzole|[6]annulene|benzene|benzole|cyclohexatriene|phenyl hydride http://purl.obolibrary.org/obo/CHEBI_16716 3_STAR
CHEBI:167162 biolink:ChemicalSubstance L-ascorbic acid 2-phosphate An aldonolactone phosphate that is the 2-phosphate ester of L-ascorbic acid. It can stimulate collagen formation. CAS:23313-12-4|PMID:1259740|PMID:12951010|PMID:19540373|PMID:2033086|PMID:23415114|PMID:25714612|PMID:30557502|PMID:31171862|PMID:31191662|PMID:31919598|PMID:32222244|PMID:33122467|PMID:7965212 phenio.json (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-2-oxo-2,5-dihydrofuran-3-yl dihydrogen phosphate|2-O-phosphono-L-ascorbic acid|2-phospho-L-ascorbic acid|L-ascorbic acid 2-(dihydrogen phosphate)|L-ascorbyl-2-monophosphate|L-ascorbyl-2-phosphate|ascorbate-2-phosphate|ascorbyl-2-monophosphate|ascorbyl-2-phosphate http://purl.obolibrary.org/obo/CHEBI_167162 3_STAR
CHEBI:167163 biolink:ChemicalSubstance L-ascorbate 2-phosphate(3-) An organophosphate oxoanion that is the trianion formed from L-ascorbic acid 2-phosphate by deprotonation of the 3-hydroxy group and of both hydroxy groups of the phosphate function; major species at pH 7.3. MetaCyc:2-PHOSPHOASCORBATE phenio.json (5R)-5-[(1S)-1,2-dihydroxyethyl]-4-oxido-2-oxo-2,5-dihydrofuran-3-yl phosphate|2-phospho-L-ascorbate http://purl.obolibrary.org/obo/CHEBI_167163 3_STAR
CHEBI:167164 biolink:ChemicalSubstance mineral nutrient A mineral that is an inorganic nutrient which must be ingested and absorbed in adequate amounts to satisfy a wide range of essential metabolic and/or structural functions in the human body. Wikipedia:Mineral_(nutrient) phenio.json mineral nutrient|mineral nutrients|nutrient mineral|nutrient minerals http://purl.obolibrary.org/obo/CHEBI_167164 3_STAR
CHEBI:167165 biolink:ChemicalSubstance kappa-opioid receptor antagonist Any compound that exhibits antagonist activity at the kappa-opioid receptor. phenio.json kappa-opioid antagonist|kappa-opioid antagonists|kappa-opioid receptor antagonists http://purl.obolibrary.org/obo/CHEBI_167165 3_STAR
CHEBI:16717 biolink:ChemicalSubstance (Z)-but-2-ene-1,2,3-tricarboxylic acid A tricarboxylic acid comprising (Z)-but-2-ene having the three carboxy groups at the 1-, 2- and 3-positions. CAS:6061-93-4|KEGG:C04225 phenio.json (2Z)-but-2-ene-1,2,3-tricarboxylic acid|(Z)-But-2-ene-1,2,3-tricarboxylate|(Z)-but-2-ene-1,2,3-tricarboxylate|alpha-Methyl-cis-aconitate|alpha-Methylaconitate|cis-2-Butene-1,2,3-tricarboxylic acid|cis-2-Methylaconitate http://purl.obolibrary.org/obo/CHEBI_16717 3_STAR
CHEBI:167174 biolink:ChemicalSubstance N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-L-glutamine residue An alpha-amino-acid residue formed from N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-L-glutamine. PMID:30867594 phenio.json 5-glutamyl serotonin residue|N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-L-glutamine residue http://purl.obolibrary.org/obo/CHEBI_167174 2_STAR
CHEBI:167175 biolink:ChemicalSubstance N-[2-(3,4-dihydroxyphenyl)ethyl]-L-glutamine residue An alpha-amino-acid residue formed from N-[2-(3,4-dihydroxyphenyl)ethyl]-L-glutamine. PMID:32273471 phenio.json 5-glutamyl dopamine residue|N-[2-(3,4-dihydroxyphenyl)ethyl]-L-glutamine residue http://purl.obolibrary.org/obo/CHEBI_167175 2_STAR
CHEBI:167178 biolink:ChemicalSubstance N-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-L-glutamine residue An alpha-amino-acid residue formed from N-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-L-glutamine. PMID:23797785 phenio.json 5-glutamyl noradrenaline residue|N-[(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-L-glutamine residue http://purl.obolibrary.org/obo/CHEBI_167178 2_STAR
CHEBI:167179 biolink:ChemicalSubstance N-[2-(1H-imidazol-4-yl)ethyl]-L-glutamine residue An L-alpha-amino acid residue residue derived from N(alpha)-gamma-L-glutamylhistamine PMID:23022564|PMID:23797785 phenio.json N(5)-[2-(1H-imidazol-4-yl)ethyl]-L-glutamine residue|N(alpha)-gamma-L-glutamylhistamine residue|N-[2-(1H-imidazol-4-yl)ethyl]-L-glutamine residue http://purl.obolibrary.org/obo/CHEBI_167179 3_STAR
CHEBI:16718 biolink:ChemicalSubstance (S)-reticuline The (S)-enantiomer of reticuline. Beilstein:4299976|Beilstein:95671|CAS:485-19-8|KEGG:C02105|KNApSAcK:C00001910|PDBeChem:REN phenio.json (+)-Reticuline|(+)-reticuline|(1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol|(S)-(+)-reticuline|(S)-Reticuline|L-(+)-Reticuline|Reticline http://purl.obolibrary.org/obo/CHEBI_16718 3_STAR
CHEBI:167181 biolink:ChemicalSubstance deoxyribonucleotide-(2'-deoxyribose)-deoxyribonucleotide residue(3-) PMID:22375014 phenio.json a deoxyribonucleotide-(2'-deoxyribose)-deoxyribonucleotide residue http://purl.obolibrary.org/obo/CHEBI_167181 2_STAR
CHEBI:167183 biolink:ChemicalSubstance piscicide A substance which is poisonous to fish and is primarily used to eliminate dominant species of fish in water. Wikipedia:Piscicide phenio.json piscicides http://purl.obolibrary.org/obo/CHEBI_167183 3_STAR
CHEBI:16719 biolink:ChemicalSubstance (R)-pantolactone A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 3 and two methyl groups at position 4 (the R-stereoisomer). CAS:599-04-2|HMDB:HMDB0059876|KEGG:C01012|MetaCyc:PANTOYL-LACTONE|PMID:15195978|PMID:7020480|Reaxys:80957|YMDB:YMDB00796 phenio.json (3R)-3-hydroxy-4,4-dimethyldihydrofuran-2(3H)-one|(3R)-Dihydro-3-hydroxy-4,4-dimethyl-2(3H)-Furanone|(3R)-dihydro-3-hydroxy-4,4-dimethyl-2(3H)-furanone|(R)-Pantolactone|(R)-Pantoyl lactone|(R)-pantolactone|(R)-pantoyl lactone http://purl.obolibrary.org/obo/CHEBI_16719 3_STAR
CHEBI:167204 biolink:ChemicalSubstance 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide A benzamide resulting from the formal condensation of the carboxy group of 4-amino-5-chloro-2-ethoxybenzoic acid with the amino group of 1-[4-(4-fluorobenzyl)morpholin-2-yl]methanamine. phenio.json 4-amino-5-chloro-2-ethoxy-N-((4-(4-fluorobenzyl)-2-morpholinyl)methyl)benzamide|4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide http://purl.obolibrary.org/obo/CHEBI_167204 3_STAR
CHEBI:167205 biolink:ChemicalSubstance (R)-mosapride A 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide that has (R)-configuration. CAS:156925-24-5 phenio.json 4-amino-5-chloro-2-ethoxy-N-{[(2R)-4-(4-fluorobenzyl)morpholin-2-yl]methyl}benzamide http://purl.obolibrary.org/obo/CHEBI_167205 3_STAR
CHEBI:167206 biolink:ChemicalSubstance (S)-mosapride A 4-amino-5-chloro-2-ethoxy-N-({4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide that has (S)-configuration. CAS:156925-23-4 phenio.json 4-amino-5-chloro-2-ethoxy-N-({(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl}methyl)benzamide http://purl.obolibrary.org/obo/CHEBI_167206 3_STAR
CHEBI:167216 biolink:ChemicalSubstance phosphatidylcholine O-16:0_16:1 phenio.json PC O-16:0_16:1|PC(O-16:0_16:1)|phosphatidylcholine(O-16:0_16:1) http://purl.obolibrary.org/obo/CHEBI_167216 2_STAR
CHEBI:167217 biolink:ChemicalSubstance phosphatidylcholine O-16:0_20:4 phenio.json PC O-16:0_20:4|PC(O-16:0_20:4)|phosphatidylcholine(O-16:0_20:4) http://purl.obolibrary.org/obo/CHEBI_167217 2_STAR
CHEBI:167218 biolink:ChemicalSubstance phosphatidylcholine O-16:1_18:1 phenio.json PC O-16:1_18:1|PC(O-16:1_18:1)|phosphatidylcholine(O-16:1_18:1) http://purl.obolibrary.org/obo/CHEBI_167218 2_STAR
CHEBI:167219 biolink:ChemicalSubstance phosphatidylcholine O-18:1_16:0 phenio.json PC O-18:1_16:0|PC(O-18:1_16:0)|phosphatidylcholine(O-18:1_16:0) http://purl.obolibrary.org/obo/CHEBI_167219 2_STAR
CHEBI:167223 biolink:ChemicalSubstance phosphatidylethanolamine O-16:1_18:2 phenio.json PE O-16:1_18:2|PE(O-16:1_18:2)|phosphatidylethanolamine(O-16:1_18:2) http://purl.obolibrary.org/obo/CHEBI_167223 2_STAR
CHEBI:167225 biolink:ChemicalSubstance phosphatidylethanolamine O-16:1_20:4 phenio.json PE O-16:1_20:4|PE(O-16:1_20:4)|phosphatidylethanolamine(O-16:1_20:4) http://purl.obolibrary.org/obo/CHEBI_167225 2_STAR
CHEBI:167228 biolink:ChemicalSubstance phosphatidylethanolamine O-18:1_20:4 phenio.json PE O-18:1_20:4|PE(O-18:1_20:4)|phosphatidylethanolamine(O-18:1_20:4) http://purl.obolibrary.org/obo/CHEBI_167228 2_STAR
CHEBI:16723 biolink:ChemicalSubstance 4-methylthio-2-oxobutanoate The 2-oxo monocarboxylic acid anion derived from 4-methylthio-2-oxobutanoic acid. The major microspecies at pH 7.3, it is formed from L-methionine via the action of methionine transaminase. Beilstein:3662236|KEGG:C01180|MetaCyc:CPD-479|PMID:10074065|PMID:15280032 phenio.json 2-oxo-4-methylthiobutanoate|4-(methylsulfanyl)-2-oxobutanoate|4-methylsulfanyl-2-oxobutanoate http://purl.obolibrary.org/obo/CHEBI_16723 3_STAR
CHEBI:167230 biolink:ChemicalSubstance phosphatidylethanolamine O-18:2_18:2 phenio.json PE O-18:2_18:2|PE(O-18:2_18:2)|phosphatidylethanolamine(O-18:2_18:2) http://purl.obolibrary.org/obo/CHEBI_167230 2_STAR
CHEBI:167232 biolink:ChemicalSubstance phosphatidylethanolamine O-18:2_20:4 phenio.json PE O-18:2_20:4|PE(O-18:2_20:4)|phosphatidylethanolamine(O-18:2_20:4) http://purl.obolibrary.org/obo/CHEBI_167232 2_STAR
CHEBI:16724 biolink:ChemicalSubstance 4-hydroxybutyrate A 4-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 4-hydroxybutyric acid. Beilstein:3903887|DrugBank:DB01440|Gmelin:1524032|KEGG:C00989|UM-BBD_compID:c0022 phenio.json 4-hydroxybutanoate|GHB|gamma-hydroxybutyrate http://purl.obolibrary.org/obo/CHEBI_16724 3_STAR
CHEBI:167242 biolink:ChemicalSubstance phosphatidylcholine 14:0_16:0 phenio.json PC 14:0_16:0|PC(14:0_16:0)|phosphatidylcholine(14:0_16:0) http://purl.obolibrary.org/obo/CHEBI_167242 2_STAR
CHEBI:167246 biolink:ChemicalSubstance PC(16:0_16:1) A phosphatidylcholine 32:1 in which one acyl group has 16 carbons and is fully saturated while the other has 16 carbons and 1 double bond (position not specified). phenio.json PC 16:0_16:1|phosphatidylcholine 16:0_16:1|phosphatidylcholine(16:0_16:1) http://purl.obolibrary.org/obo/CHEBI_167246 2_STAR
CHEBI:167247 biolink:ChemicalSubstance phosphatidylcholine 16:0_17:1 phenio.json PC 16:0_17:1|PC(16:0_17:1)|phosphatidylcholine(16:0_17:1) http://purl.obolibrary.org/obo/CHEBI_167247 2_STAR
CHEBI:167248 biolink:ChemicalSubstance phosphatidylcholine 16:0_18:0 phenio.json PC 16:0_18:0|PC(16:0_18:0)|phosphatidylcholine(16:0_18:0) http://purl.obolibrary.org/obo/CHEBI_167248 2_STAR
CHEBI:167249 biolink:ChemicalSubstance PC(16:0_18:1) A phosphatidylcholine 34:1 in which one acyl group has 16 carbons and is fully saturated while the other has 18 carbons and 1 double bond (position not specified). phenio.json PC 16:0_18:1|phosphatidylcholine 16:0_18:1|phosphatidylcholine(16:0_18:1) http://purl.obolibrary.org/obo/CHEBI_167249 2_STAR
CHEBI:16725 biolink:ChemicalSubstance 2,3-dihydroxy-p-cumic acid Beilstein:2722152|CAS:19420-61-2|KEGG:C06580 phenio.json 2,3-Dihydroxy-p-cumate|2,3-dihydroxy-4-(1-methylethyl)benzoic acid|2,3-dihydroxy-4-(propan-2-yl)benzoic acid|2,3-dihydroxy-4-isopropylbenzoic acid|4-isopropyl-o-pyrocatechuic acid http://purl.obolibrary.org/obo/CHEBI_16725 3_STAR
CHEBI:167250 biolink:ChemicalSubstance PC(16:0_20:4) A phosphatidylcholine 36:4 in which one acyl group has 16 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified). phenio.json PC 16:0_20:4|phosphatidylcholine 16:0_20:4|phosphatidylcholine(16:0_20:4) http://purl.obolibrary.org/obo/CHEBI_167250 2_STAR
CHEBI:167251 biolink:ChemicalSubstance PC(16:0_22:4) A phosphatidylcholine 38:4 in which one acyl group has 16 carbons and is fully saturated while the other has 22 carbons and 4 double bonds (position not specified). phenio.json PC 16:0_22:4|phosphatidylcholine 16:0_22:4|phosphatidylcholine(16:0_22:4) http://purl.obolibrary.org/obo/CHEBI_167251 2_STAR
CHEBI:167253 biolink:ChemicalSubstance PC(16:1_18:1) A phosphatidylcholine 34:2 in which one acyl group has 16 carbons and 1 double bond while the other has 18 carbons and 1 double bond (position not specified). phenio.json PC 16:1_18:1|phosphatidylcholine 16:1_18:1|phosphatidylcholine(16:1_18:1) http://purl.obolibrary.org/obo/CHEBI_167253 2_STAR
CHEBI:167254 biolink:ChemicalSubstance PC(17:0_18:1) A phosphatidylcholine 35:1 in which one acyl group has 17 carbons and is fully saturated while the other has 18 carbons and 1 double bond (position not specified). phenio.json PC 17:0_18:1|phosphatidylcholine 17:0_18:1|phosphatidylcholine(17:0_18:1) http://purl.obolibrary.org/obo/CHEBI_167254 2_STAR
CHEBI:167255 biolink:ChemicalSubstance PC(18:0_18:1) A phosphatidylcholine 36:1 in which one acyl group has 18 carbons and is fully saturated while the other has 18 carbons and 1 double bond (position not specified). phenio.json PC 18:0_18:1|phosphatidylcholine 18:0_18:1|phosphatidylcholine(18:0_18:1) http://purl.obolibrary.org/obo/CHEBI_167255 2_STAR
CHEBI:167256 biolink:ChemicalSubstance PC(18:0_20:4) A phosphatidylcholine 38:4 in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified). phenio.json PC 18:0_20:4|phosphatidylcholine 18:0_20:4|phosphatidylcholine(18:0_20:4) http://purl.obolibrary.org/obo/CHEBI_167256 2_STAR
CHEBI:167257 biolink:ChemicalSubstance PC(18:1_18:1) A phosphatidylcholine 36:2 in which both acyl groups have 18 carbons and 1 double bond each (position not specified). phenio.json PC 18:1_18:1|phosphatidylcholine 18:1_18:1|phosphatidylcholine(18:1_18:1) http://purl.obolibrary.org/obo/CHEBI_167257 2_STAR
CHEBI:167259 biolink:ChemicalSubstance PC(18:1_20:4) A phosphatidylcholine 38:5 in which one acyl group has 18 carbons and 1 double bond while the other has 20 carbons and 4 double bonds (position not specified). phenio.json PC 18:1_20:4|phosphatidylcholine 18:1_20:4|phosphatidylcholine(18:1_20:4) http://purl.obolibrary.org/obo/CHEBI_167259 2_STAR
CHEBI:167261 biolink:ChemicalSubstance PE(16:0_20:4) A phosphatidylethanolamine 36:4 in which one acyl group has 16 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified). phenio.json PE 16:0_20:4|phosphatidylethanolamine 16:0_20:4|phosphatidylethanolamine(16:0_20:4) http://purl.obolibrary.org/obo/CHEBI_167261 2_STAR
CHEBI:16727 biolink:ChemicalSubstance 3-maleylpyruvate(2-) KEGG:C02167 phenio.json (2Z)-4,6-dioxohept-2-enedioate|3-maleylpyruvate http://purl.obolibrary.org/obo/CHEBI_16727 3_STAR
CHEBI:167270 biolink:ChemicalSubstance phosphatidylinositol 16:0_18:1 phenio.json PI 16:0_18:1|PI(16:0_18:1)|phosphatidylinositol(16:0_18:1) http://purl.obolibrary.org/obo/CHEBI_167270 2_STAR
CHEBI:167272 biolink:ChemicalSubstance PI(16:0_20:4) A phosphatidylinositol 36:4 in which one acyl group has 16 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified). phenio.json PI 16:0_20:4|phosphatidylinositol 16:0_20:4|phosphatidylinositol(16:0_20:4) http://purl.obolibrary.org/obo/CHEBI_167272 2_STAR
CHEBI:167273 biolink:ChemicalSubstance PI(18:0_18:1) A phosphatidylinositol 36:1 in which one acyl group has 18 carbons and is fully saturated while the other has 18 carbons and 1 double bond (position not specified). phenio.json PI 18:0_18:1|phosphatidylinositol 18:0_18:1|phosphatidylinositol(18:0_18:1) http://purl.obolibrary.org/obo/CHEBI_167273 2_STAR
CHEBI:167275 biolink:ChemicalSubstance PI(18:0_20:3) A phosphatidylinositol 38:3 in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 3 double bonds (position not specified). phenio.json PI 18:0_20:3|phosphatidylinositol 18:0_20:3|phosphatidylinositol(18:0_20:3) http://purl.obolibrary.org/obo/CHEBI_167275 2_STAR
CHEBI:167276 biolink:ChemicalSubstance PI(18:0_20:4) A phosphatidylinositol 38:4 in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 4 double bonds (position not specified). phenio.json PI 18:0_20:4|phosphatidylinositol 18:0_20:4|phosphatidylinositol(18:0_20:4) http://purl.obolibrary.org/obo/CHEBI_167276 2_STAR
CHEBI:16728 biolink:ChemicalSubstance 2-acyl-sn-glycero-3-phosphocholine(1+) A 2-acylglycerophosphocholine in which the glycerol moiety has sn stereochemistry and which has an unspecified acyl group attached at the 2-position. KEGG:C04233|PMID:15913955 phenio.json 1-Lysolecithin|1-Lysophosphatidylcholine|2-Acyl-sn-glycero-3-phosphocholine|2-Acylglycero-3-phosphocholine|2-acyl-sn-glycero-3-phosphocholines|3-Lysolecithin|LPC|l-alpha-lysophosphatidylcholine http://purl.obolibrary.org/obo/CHEBI_16728 3_STAR
CHEBI:16729 biolink:ChemicalSubstance formyl dihydrogen phosphate KEGG:C02405 phenio.json (formyloxy)phosphonic acid|Formyl phosphate|formic phosphoric monoanhydride|formyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_16729 3_STAR
CHEBI:16730 biolink:ChemicalSubstance chloramphenicol 3-acetate KEGG:C03601 phenio.json (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl acetate|Chloramphenicol 3-acetate|chloramphenicol 3-acetate http://purl.obolibrary.org/obo/CHEBI_16730 3_STAR
CHEBI:167306 biolink:ChemicalSubstance phosphatidylcholine 16:0_16:0 phenio.json PC 16:0_16:0|PC(16:0_16:0)|phosphatidylcholine(16:0_16:0) http://purl.obolibrary.org/obo/CHEBI_167306 2_STAR
CHEBI:167308 biolink:ChemicalSubstance dextromethadone A 6-(dimethylamino)-4,4-diphenylheptan-3-one that has (S)-configuration. It is the less active enantiomer of methadone and has very little activity on opioid receptors and mainly responsible for the inhibition of hERG K+ channels and thus for cardiac toxicity. The drug is currently under clinical development for the treatment of major depressive disorder. CAS:5653-80-5|Chemspider:559067|DrugBank:DB15198|PMID:21175445|PMID:23249875|PMID:23935979|PMID:27055456|PMID:27456067|PMID:27974484|PMID:29458047|PMID:30907440|PMID:31091116|PMID:31368772|PMID:31454827|PMID:32302325|PMID:33345336|Reaxys:3213667|Wikipedia:Dextromethadone phenio.json (+)-(S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone|(+)-methadone|(6S)-6-(dimethylamino)-4,4-diphenylheptan-3-one|(6S)-methadone|(S)-(+)-methadone|(S)-6-(dimethylamino)-4,4-diphenyl-3-heptanone|(S)-methadone|REL-1017|S-(+)-methadone|S-methadone|d-6-(dimethylamino)-4,4-diphenyl-3-heptanone|d-methadone http://purl.obolibrary.org/obo/CHEBI_167308 3_STAR
CHEBI:167309 biolink:ChemicalSubstance 6-(dimethylamino)-4,4-diphenylheptan-3-one A ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4. phenio.json 6-(dimethylamino)-4,4-diphenyl-3-heptanone|6-(dimethylamino)-4,4-diphenylheptan-3-one http://purl.obolibrary.org/obo/CHEBI_167309 3_STAR
CHEBI:16731 biolink:ChemicalSubstance (E)-cinnamaldehyde The E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. BPDB:1069|CAS:14371-10-9|HMDB:HMDB0003441|KEGG:C00903|KNApSAcK:C00002725|KNApSAcK:C00035187|PMID:11975643|PMID:17140783|PMID:17662960|PMID:18218683|PMID:19845671|PMID:20431333|PMID:20955755|PMID:21266172|PMID:21388814|PMID:21394803|PMID:21466812|PMID:21469739|PMID:21517069|PMID:21603596|PMID:21708228|PMID:21767279|PMID:21788726|PMID:29079364|Reaxys:1071571|Wikipedia:Cinnamaldehyde phenio.json (3E)-3-phenylprop-2-enal|(E)-3-Phenyl-2-propenal|(E)-3-Phenyl-propenal|(E)-3-Phenylpropenal|(E)-Cinnamaldehyde|(E)-Cinnamic aldehyde|(E)-cinnamaldehyde|(E)-phenylvinyl aldehyde|3-phenylacrylaldehyde|Cinnamaldehyde|trans-Cinnamic aldehyde http://purl.obolibrary.org/obo/CHEBI_16731 3_STAR
CHEBI:16732 biolink:ChemicalSubstance CDP-ethanolamine A phosphoethanolamine consisting of ethanolamine having a cytidine 5'-diphosphate moiety attached to the oxygen. Beilstein:67058|CAS:3036-18-8|KEGG:C00570 phenio.json 5'-O-[{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine|CDP ethanolamine|Cytidine diphosphate ethanolamine|cytidine 5'-(trihydrogen diphosphate), P'-(2-aminoethyl) ester|cytidine 5'-[3-(2-aminoethyl) dihydrogen diphosphate]|cytidine diphosphate ethanolamine http://purl.obolibrary.org/obo/CHEBI_16732 3_STAR
CHEBI:167322 biolink:ChemicalSubstance N(omega)-(N-acetyl-beta-D-glucosaminyl)-L-arginyl(1+) residue PMID:23955153|PMID:24025841|PMID:30979585 phenio.json N(omega)-(N-acetyl-beta-D-glucosaminyl)-L-arginyl residue http://purl.obolibrary.org/obo/CHEBI_167322 2_STAR
CHEBI:16733 biolink:ChemicalSubstance D-alpha-amino acid KEGG:C00405 phenio.json D-Amino acid|D-alpha-amino acid|D-alpha-amino acids http://purl.obolibrary.org/obo/CHEBI_16733 3_STAR
CHEBI:16734 biolink:ChemicalSubstance N-acetyl-D-tryptophan The N-acetyl derivative of D-tryptophan. Beilstein:89477|CAS:2280-01-5|KEGG:C03137 phenio.json (2R)-2-acetamido-3-(1H-indol-3-yl)propanoic acid|N-Acetyl-D-tryptophan|N-acetyl-D-tryptophan http://purl.obolibrary.org/obo/CHEBI_16734 3_STAR
CHEBI:167345 biolink:ChemicalSubstance Cedrene Chemspider:454638 phenio.json 2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undec-8-ene http://purl.obolibrary.org/obo/CHEBI_167345 2_STAR
CHEBI:16735 biolink:ChemicalSubstance 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-glucopyranose KEGG:C04865 phenio.json 2-acetamido-2-deoxy-6-O-sulfo-D-galactopyranos-3-O-yl 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid|4-Deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate|4-deoxy-beta-D-gluc-4-enuronosyl-(1,3)-N-acetyl-D-galactosamine 6-sulfate http://purl.obolibrary.org/obo/CHEBI_16735 3_STAR
CHEBI:16737 biolink:ChemicalSubstance creatinine A lactam obtained by formal cyclocondensation of creatine. It is a metabolite of creatine. CAS:60-27-5|HMDB:HMDB0000562|KEGG:C00791|KEGG:D03600|MetaCyc:CREATININE|PMID:11256540|PMID:11981083|PMID:17190852|PMID:17422601|PMID:18182718|PMID:19236048|PMID:19715855|PMID:19968328|PMID:21775764|PMID:22047975|PMID:22121923|PMID:22166252|PMID:22207347|PMID:22212624|PMID:22223530|PMID:22331238|PMID:22338083|PMID:22349552|PMID:22390548|PMID:22432114|PMID:22441184|PMID:22459582|PMID:22498455|Reaxys:112064|Wikipedia:Creatinine phenio.json 1-Methylglycocyamidine|1-Methylhydantoin-2-imide|1-methylglycocyamidine|2-Amino-1-methylimidazolin-4-one|2-amino-1,5-dihydro-1-methyl-4H-Imidazol-4-one|2-imino-1-methylimidazolidin-4-one|Creatine anhydride|Creatinine|Kreatinin|creatinina|creatinine http://purl.obolibrary.org/obo/CHEBI_16737 3_STAR
CHEBI:16738 biolink:ChemicalSubstance 2,4-dichlorophenol A dichlorophenol that is phenol carrying chloro substituents at positions 2 and 4. CAS:120-83-2|Gmelin:261170|HMDB:HMDB0004811|KEGG:C02625|MetaCyc:24-DICHLOROPHENOL|PMID:10633543|Reaxys:742467|UM-BBD_compID:c0289|Wikipedia:2,4-Dichlorophenol phenio.json 2,4-Dichlorophenol|2,4-dichlorophenol http://purl.obolibrary.org/obo/CHEBI_16738 3_STAR
CHEBI:16739 biolink:ChemicalSubstance 2-furoate A furancarboxylate that is the conjugate base of 2-furoic acid. Beilstein:1366018|Gmelin:326316|KEGG:C01546 phenio.json 2-furoate|furan-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_16739 3_STAR
CHEBI:16740 biolink:ChemicalSubstance trans-cyclohexa-3,5-diene-1,2-diol Beilstein:3195290|Gmelin:1866786 phenio.json rel-(1R,2R)-cyclohexa-3,5-diene-1,2-diol|trans-1,2-dihydrobenzene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_16740 3_STAR
CHEBI:16741 biolink:ChemicalSubstance 4-(beta-D-glucosyloxy)benzoic acid A beta-D-glucoside of 4-hydroxybenzoic acid. KEGG:C03993|PMID:15675800|PMID:17827684|PMID:18348529|Reaxys:33159 phenio.json 4-(beta-D-glucopyranosyloxy)benzoic acid|4-Hydroxybenzoate-O-glucoside|4-O-beta-D-glucopyranosyl-p-hydroxybenzoic acid|4-hydroxybenzoic acid 4-O-beta-D-glucopyranoside|p-hydroxybenzoic acid 4-O-beta-D-glucopyranoside|p-hydroxybenzoic acid beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_16741 3_STAR
CHEBI:16742 biolink:ChemicalSubstance orotic acid A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6. CAS:65-86-1|DrugBank:DB02262|Drug_Central:3402|Gmelin:101990|HMDB:HMDB0000226|KEGG:C00295|KEGG:D00055|KNApSAcK:C00019689|MetaCyc:OROTATE|PDBeChem:ORO|PMID:11059538|PMID:22019295|PMID:22285839|PMID:22307261|PMID:22371390|PMID:22634191|PMID:22707164|PMID:22770225|PMID:22863860|PMID:7264771|Reaxys:383901|Wikipedia:Orotic_acid phenio.json 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid|OROTIC ACID|Orotic acid|Orotsaeure|Uracil-6-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_16742 3_STAR
CHEBI:16743 biolink:ChemicalSubstance D-tagatose 1,6-bisphosphate A ketohexose bisphosphate that is D-tagatose carrying phosphate groups at positions 1 and 6. PMID:12003946 phenio.json 1,6-di-O-phosphono-D-lyxo-hex-2-ulose|1,6-di-O-phosphono-D-tagatose|D-lyxo-hex-2-ulose 1,6-bis(dihydrogen phosphate)|D-tagatose 1,6-bis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16743 3_STAR
CHEBI:16744 biolink:ChemicalSubstance pregna-4,9(11)-diene-3,20-dione KEGG:C04084 phenio.json Pregna-4,9(11)-diene-3,20-dione|pregna-4,9(11)-diene-3,20-dione http://purl.obolibrary.org/obo/CHEBI_16744 3_STAR
CHEBI:167445 biolink:ChemicalSubstance N(omega)-(6-deoxy-alpha-L-mannosyl)-L-arginyl(2+) residue PMID:28451135|PMID:28951478 phenio.json N(omega)-(alpha-L-rhamnosyl)-L-arginyl residue http://purl.obolibrary.org/obo/CHEBI_167445 2_STAR
CHEBI:167457 biolink:ChemicalSubstance poly[(R)-3-hydroxyalkanoate] phenio.json poly[(R)-3-hydroxyalkanoate] http://purl.obolibrary.org/obo/CHEBI_167457 2_STAR
CHEBI:16746 biolink:ChemicalSubstance 1,2,3,5-tetrahydroxybenzene CAS:634-94-6|KEGG:C03743 phenio.json 1,2,3,5-Tetrahydroxybenzene|1,2,3,5-tetrahydroxybenzene|benzene-1,2,3,5-tetrol http://purl.obolibrary.org/obo/CHEBI_16746 3_STAR
CHEBI:16747 biolink:ChemicalSubstance 4-methylene-L-glutamine A non-proteinogenic L-alpha-amino acid that is L-glutamine in which the hydrogens attached to the carbon gamma to the carboxy group are replaced by a methylene group. KEGG:C01109 phenio.json (2S)-2-amino-4-carbamoylpent-4-enoic acid|4-Methylene-L-glutamine|4-methylidene-L-glutamine http://purl.obolibrary.org/obo/CHEBI_16747 3_STAR
CHEBI:16749 biolink:ChemicalSubstance 1-phosphatidyl-1D-myo-inositol A phosphatidylinositol in which the inositol moiety is the 1D-myo isomer and the phosphatidyl group is located at its position 1. KEGG:C01194|PMID:28600633 phenio.json (3-Phosphatidyl)-1-D-inositol|1,2-diacyl-sn-glycero(3)phospho(1)-D-myo-inositol|1-(3-sn-phosphatidyl)-D-myo-inositol|1-O-(3-sn-phosphatidyl)-1D-myo-inositol|1-Phosphatidyl-1D-myo-inositol|1-Phosphatidyl-D-myo-inositol|1-Phosphatidyl-myo-inositol|Phosphatidyl-1D-myo-inositol|Phosphatidylinositol|PtdIns|phosphoinositide http://purl.obolibrary.org/obo/CHEBI_16749 3_STAR
CHEBI:167497 biolink:ChemicalSubstance 1-O-(alk-1-enyl)-2-acyl-sn-glycerolipid A plasmalogen of unkown fatty acid composition and where the glycerolipid is not defined, R3 can be H or a phospholipid. phenio.json a 1-O-(1Z-alkenyl)-2-acyl-sn-glycerolipid|a plasmalogen http://purl.obolibrary.org/obo/CHEBI_167497 2_STAR
CHEBI:16750 biolink:ChemicalSubstance guanosine A purine nucleoside in which guanine is attached to ribofuranose via a beta-N(9)-glycosidic bond. CAS:118-00-3|DrugBank:DB02857|ECMDB:ECMDB00133|Gmelin:55323|HMDB:HMDB0000133|KEGG:C00387|KNApSAcK:C00019679|MetaCyc:GUANOSINE|PDBeChem:GMP|PMID:11434576|PMID:15471343|PMID:15920424|PMID:17060520|PMID:17202332|PMID:18191898|PMID:18549801|PMID:21435378|PMID:21500353|PMID:21515778|PMID:21671255|PMID:21774919|PMID:2559771|Reaxys:625911|Wikipedia:Guanosine|YMDB:YMDB00509 phenio.json 2(3H)-imino-9-beta-D-ribofuranosyl-9H-purin-6(1H)-one|2-amino-1,9-dihydro-9-beta-D-ribofuranosyl-6H-purin-6-one|2-amino-9-beta-D-ribofuranosyl-1,9-dihydro-6H-purin-6-one|9-beta-D-ribofuranosyl-guanine|G|Guanine riboside|Guanine-9-beta-D-ribofuranoside|Guanosin|Guanosine|Guo|guanosine http://purl.obolibrary.org/obo/CHEBI_16750 3_STAR
CHEBI:16751 biolink:ChemicalSubstance inulobiose A glycosyl glycoside comprising D-fructose attached to a D-fructofuranosyl residue via a beta-(2->1)-linkage. CAS:470-58-6|KEGG:C01711|KEGG:G10528 phenio.json 1-O-beta-D-Fructo-furanosyl-D-fructose|1-O-beta-D-fructofuranosyl-D-fructose|D-fructosyl-2,1-alpha-D-fructose|Inulobiose|beta-D-fructofuranosyl-(2->1)-D-fructose|inulobiose http://purl.obolibrary.org/obo/CHEBI_16751 3_STAR
CHEBI:16752 biolink:ChemicalSubstance erythro-5-phosphonooxy-L-lysine The 5-phosphonooxy derivative of L-lysine having erythro-stereochemistry. KEGG:C03366 phenio.json (2S,5R)-2,6-diamino-5-(phosphonooxy)hexanoic acid|(5R)-5-phosphonooxy-L-lysine|5-Phosphonooxy-L-lysine|O-Phosphohydroxy-L-lysine http://purl.obolibrary.org/obo/CHEBI_16752 3_STAR
CHEBI:167527 biolink:ChemicalSubstance cis-2-enoyl-CoA(4-) A 2-enoyl-CoA in which the double bond between positions 2 and 3 of the S-acyl group has cis- geometry; major microspecies at pH 7.3 phenio.json (Z)-2-enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_167527 2_STAR
CHEBI:16753 biolink:ChemicalSubstance pantetheine An amide obtained by formal condensation of the carboxy group of pantothenic acid and the amino group of cysteamine. CAS:496-65-1|Chemspider:388453|FooDB:FDB023172|HMDB:HMDB0003426|KEGG:C00831|MetaCyc:CPD-511|PDBeChem:PNY|PMID:18805469|PMID:21440446|PMID:21912874|PMID:21930947|Reaxys:1714196|Wikipedia:Pantetheine phenio.json (2R)-2,4-dihydroxy-3,3-dimethyl-N-{3-oxo-3-[(2-sulfanylethyl)amino]propyl}butanamide|(R)-Pantetheine|(R)-pantetheine|D-Pantetheine|Lactobacillus bulgaricus factor|Pantetheine http://purl.obolibrary.org/obo/CHEBI_16753 3_STAR
CHEBI:16754 biolink:ChemicalSubstance 4-carboxymethyl-3-methylbut-2-en-1,4-olide A 5-oxo-2-furylacetic acid having a 3-methyl substituent. KEGG:C04558 phenio.json (3-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetic acid|3-Methylmuconolactone|3-methylmuconolactone|4-Carboxymethyl-3-methylbut-2-en-1,4-olide|5-carboxymethyl-4-methylfuran-2(5H)-one http://purl.obolibrary.org/obo/CHEBI_16754 3_STAR
CHEBI:16755 biolink:ChemicalSubstance chenodeoxycholic acid A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively. CAS:474-25-9|DrugBank:DB06777|Drug_Central:4361|HMDB:HMDB0000518|KEGG:C02528|KEGG:D00163|LINCS:LSM-5353|LIPID_MAPS_instance:LMST04010032|PDBeChem:JN3|PMID:11530998|PMID:16037564|PMID:24448653|PMID:24464484|Reaxys:3219887|Wikipedia:Chenodiol phenio.json 3alpha,7alpha-Dihydroxy-5beta-cholanic acid|3alpha,7alpha-dihydroxy-5beta-cholan-24-oic acid|7alpha-hydroxylithocholic acid|CDCA|Chenix|Chenodeoxycholic acid|Chenodiol|anthropodeoxycholic acid|anthropodesoxycholic acid|chenic acid|gallodesoxycholic acid http://purl.obolibrary.org/obo/CHEBI_16755 3_STAR
CHEBI:167550 biolink:ChemicalSubstance dodecene An alkene that is dodecane containing one double bond at unspecified position. phenio.json dodecene http://purl.obolibrary.org/obo/CHEBI_167550 3_STAR
CHEBI:167555 biolink:ChemicalSubstance 2-dodecene A dodecene that is dodecane with a double bond at position 2. CAS:1652-96-6|Chemspider:19907027|PMID:28188331 phenio.json dodec-2-ene|n-dodec-2-en http://purl.obolibrary.org/obo/CHEBI_167555 3_STAR
CHEBI:167559 biolink:ChemicalSubstance glycan Any oligosaccharide, polysaccharide or their derivatives consisting of monosaccharides or monosaccharide derivatives linked by glycosidic bonds. See also http://www.ontobee.org/ontology/GNO?iri=http://purl.obolibrary.org/obo/GNO_00000001. phenio.json glycans http://purl.obolibrary.org/obo/CHEBI_167559 3_STAR
CHEBI:167574 biolink:ChemicalSubstance semaglutide A polypeptide that contains a linear sequence of 31 amino acids joined together by peptide linkages. It is an agonist of glucagon-like peptide-1 receptors (GLP-1 AR) and used for the treatment of type 2 diabetes. CAS:910463-68-2|Chemspider:34981134|DrugBank:DB13928|KEGG:D10025|PMID:24608440|PMID:29431519|PMID:30741689|PMID:31305048|PMID:31486321|PMID:31770356|PMID:31801807|PMID:31952996|PMID:31975761|PMID:32232400|PMID:32476529|PMID:32890462|PMID:32921892|PMID:33074557|PMID:33108617|PMID:33159658|PMID:33179892|PMID:33185364|PMID:33222922|PMID:33257834|PMID:33354706|PMID:33363667|PMID:33417950|PMID:33439580|PMID:33439583|PMID:33447122|PMID:33565043|PMID:33567185|PMID:33591618|PMID:33615400|PMID:33627989|PMID:33627997|Wikipedia:Semaglutide phenio.json L-histidyl-2-methylalanyl-L-alpha-glutamylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-alpha-aspartyl-L-valyl-L-seryl-L-seryl-L-tyrosyl-L-leucyl-L-alpha-glutamylglycyl-L-glutaminyl-L-alanyl-L-alanyl-N(6)-((N-(17-carboxyheptadecanoyl)-D-gamma-glutamyl)amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecanan-1-oyl)-L-lysyl-L-alpha-glutamyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-tryptophyl-L-leucyl-L-valyl-L-arginylglycyl-L-arginylglycine|NN 9535|NN-9535|NN9535|NNC 0113-0217|NNC-0113-0217|Ozempic|Rybelsus http://purl.obolibrary.org/obo/CHEBI_167574 3_STAR
CHEBI:16758 biolink:ChemicalSubstance 3-dehydrocarnitinium A quaternary ammonium ion that is the conjugate acid of 3-dehydrocarnitine. CAS:10457-99-5|KEGG:C02636 phenio.json 3-Carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium|3-Dehydrocarnitine|3-carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium|3-carboxy-N,N,N-trimethyl-2-oxopropan-1-aminium http://purl.obolibrary.org/obo/CHEBI_16758 3_STAR
CHEBI:16760 biolink:ChemicalSubstance phenanthrene-3,4-diol Beilstein:2266540|CAS:478-71-7|KEGG:C03164|UM-BBD_compID:c0435 phenio.json 3,4-Dihydroxyphenanthrene|3,4-dihydroxyphenanthrene|3,4-phenanthrenediol|Morphol|Phenanthrene-3,4-diol|phenanthrene-3,4-diol http://purl.obolibrary.org/obo/CHEBI_16760 3_STAR
CHEBI:167600 biolink:ChemicalSubstance delgocitinib A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine substituted by a (3S,4R)-1-(cyanoacetyl)-3-methyl-1,6-diazaspiro[3.4]octan-6-yl group at position 4. It is a pan-Janus kinase (JAK) inhibitor and is approved for treatment of atopic dermatitis (AD) in Japan. CAS:1263774-59-9|Chemspider:59718502|DrugBank:DB16133|KEGG:D11046|PDBeChem:FHX|PMID:25387665|PMID:26115905|PMID:26546348|PMID:27665390|PMID:28423239|PMID:28960254|PMID:29665062|PMID:31425780|PMID:31466119|PMID:31820485|PMID:31924380|PMID:32029304|PMID:32166597|PMID:32511913|PMID:33334258|PMID:33377547|PMID:33605031|Patent:US20140187534 phenio.json 3-[(3S,4R)-3-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,6-diazaspiro[3.4]octan-1-yl]-3-oxopropanenitrile|Corectim|JTE-052|JTE-052A|LEO 124249|LEO 124249A|LEO-124249|LEO-124249A|delgocitinib|delgocitinibum http://purl.obolibrary.org/obo/CHEBI_167600 3_STAR
CHEBI:167604 biolink:ChemicalSubstance naphthalene-1,8-diol A member of the class of naphthalenediols that is naphthalene in which the hydrogens at positions 1 and 8 are replaced by hydroxy groups. CAS:569-42-6|Chemspider:61718|KNApSAcK:C00000552|PMID:28471002|PMID:29500263|PMID:31458630|PMID:6539583|Reaxys:2044947 phenio.json 1,8-DHN|1,8-dihydroxynaphthalene|1,8-naphthalenediol|naphthalene-1,8-diol http://purl.obolibrary.org/obo/CHEBI_167604 3_STAR
CHEBI:167605 biolink:ChemicalSubstance 1,8-dihydroxynaphthalene-melanin A melanin pigment produced by certain fungi. It plays important roles in UV protection, oxidative stress and pathogenesis. In Aspergillus fumigatus, it is used as a virulence factor and plays an important role in the survival of the fungus during unfavorable conditions both in vivo and in vitro, and protects it from the host immune system. The pigment is generally synthesised from the pentaketide pathway in which 1,8-dihydroxynaphthalene is the immediate precursor which is polymerized to 1,8-dihydroxynaphthalene-melanin by a laccase enzyme. PMID:11179356|PMID:12788746|PMID:15033240|PMID:15212456|PMID:19306112|PMID:20473673|PMID:22714980|PMID:23998343|PMID:24123270|PMID:26467568|PMID:30582052|PMID:31116900|PMID:32391495|PMID:33463687 phenio.json 1,8-DHN-melanin|1,8-dihydroxynaphthalene (DHN) melanin|1,8-dihydroxynaphthalene (DHN)-melanin|1,8-dihydroxynaphthalene melanin http://purl.obolibrary.org/obo/CHEBI_167605 3_STAR
CHEBI:167609 biolink:ChemicalSubstance 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-ribonucleoside)(2-) residue phenio.json 5'-(N(7)-methyl 5'-triphosphoguanosine)-(2'-O-methyl-ribonucleoside) residue http://purl.obolibrary.org/obo/CHEBI_167609 2_STAR
CHEBI:16761 biolink:ChemicalSubstance ADP A purine ribonucleoside 5'-diphosphate having adenine as the nucleobase. CAS:20398-34-9|CAS:58-64-0|COMe:MOL000173|DrugBank:DB03431|Gmelin:88452|KEGG:C00008|KEGG:G11113|KNApSAcK:C00019353|PDBeChem:ADP|PMID:16295522|Reaxys:67722 phenio.json 5'-adenylphosphoric acid|ADENOSINE-5'-DIPHOSPHATE|ADP|Adenosine 5'-diphosphate|H3adp|adenosine 5'-(trihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_16761 3_STAR
CHEBI:167616 biolink:ChemicalSubstance 5'-end ribonucleoside 5'-diphosphate(3-) residue phenio.json a 5'-diphospho-ribonucleoside residue http://purl.obolibrary.org/obo/CHEBI_167616 2_STAR
CHEBI:167617 biolink:ChemicalSubstance 5'-(5'-triphosphoguanosine)-(ribonucleotide)(3-) residue phenio.json a 5'-(5'-triphosphoguanosine)-ribonucleoside residue http://purl.obolibrary.org/obo/CHEBI_167617 2_STAR
CHEBI:167618 biolink:ChemicalSubstance 5'-end ribonucleotide 5'-triphosphate(4-) residue phenio.json 5'-end triphospho-ribonucleoside residue http://purl.obolibrary.org/obo/CHEBI_167618 2_STAR
CHEBI:167629 biolink:ChemicalSubstance JTE-607 dihydrochloride The dihydrochloride salt of JTE-607. It is a cytokine inhibitor which suppresses the production of proinflammatory cytokines such as interleukin (IL-1beta), IL-6, IL-8, granulocyte macrophage colony stimulating factor (GM-CSF), and tumor necrosis factor (TNF-alpha). It acts as a pro-drug which is cleaved by carboxylesterase 1 (CES1) to its active free acid form, which then binds to cleavage and polyadenylation specificity factor 3 (CPSF3). CAS:188791-09-5|PMID:10493164|PMID:12005207|PMID:12388363|PMID:15044056|PMID:15173729|PMID:15280441|PMID:16982331|PMID:18691526|PMID:20028380|PMID:21820084|PMID:31399191|PMID:31819276 phenio.json (-)-ethyl-N-[3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl]-L-phenylalaninate dihydrochloride|JTE 607|JTE 607 dihydrochloride|JTE-607|JTE-607 .2HCl|JTE-607 dihydrochloride|N-[3,5-dichloro-2-hydroxy-4-[2-(4-methyl-1-piperazinyl)ethoxy]benzoyl]-L-phenylalanine ethyl ester dihydrochloride|ethyl (2S)-2-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzamido}-3-phenylpropanoate dihydrochloride|ethyl N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl}-L-phenylalaninate dihydrochloride http://purl.obolibrary.org/obo/CHEBI_167629 3_STAR
CHEBI:16763 biolink:ChemicalSubstance 2-oxobutanoate A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxobutanoic acid, obtained by deprotonation of the carboxy group. Gmelin:899148|HMDB:HMDB0000005|KEGG:C00109|MetaCyc:2-OXOBUTANOATE|Reaxys:3601760|UM-BBD_compID:c0360 phenio.json 2-Ketobutanoate|2-Oxobutyrate|2-ketobutyrate|2-oxobutanoate|alpha-ketobutyrate|alpha-oxobutyrate http://purl.obolibrary.org/obo/CHEBI_16763 3_STAR
CHEBI:167630 biolink:ChemicalSubstance JTE-607 free base A secondary carboxamide resulting from the formal condensation of the carboxy group of 3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid with the amino group of ethyl L-phenylalaninate. It inhibits cytokine production in human peripheral blood mononuclear cells (PBMC's) without causing immunosuppression. CAS:188791-71-1|Chemspider:8114170|PMID:10493164|PMID:15044056|PMID:15280441 phenio.json JTE-607 (free base)|N-[3,5-dichloro-2-hydroxy-4-[2-(4-methyl-1-piperazinyl)ethoxy]benzoyl]-L-phenylalanine ethyl ester|ethyl (2S)-2-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzamido}-3-phenylpropanoate|ethyl N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzoyl}-L-phenylalaninate http://purl.obolibrary.org/obo/CHEBI_167630 3_STAR
CHEBI:167631 biolink:ChemicalSubstance JTE-607 zwitterion A zwitterion formed from JTE-607 by transfer of a proton from the hydroxy to the methylated amino group. Major species at pH 7.3. phenio.json 2,4-dichloro-6-{[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}-3-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]phenolate http://purl.obolibrary.org/obo/CHEBI_167631 3_STAR
CHEBI:167632 biolink:ChemicalSubstance JTE-607(2+) An organic cation obtained by protonation of the two tertiary amino groups of JTE-607 free base. phenio.json 1-[2-(2,6-dichloro-4-{[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl}-3-hydroxyphenoxy)ethyl]-4-methylpiperazinediium|JTE-607 dication|ethyl N-{3,5-dichloro-2-hydroxy-4-[2-(4-methylpiperazinediium-1-yl)ethoxy]benzoyl}-L-phenylalaninate http://purl.obolibrary.org/obo/CHEBI_167632 3_STAR
CHEBI:167633 biolink:ChemicalSubstance CPSF3 inhibitor Any inhibitor which inhibits the activity of cleavage and polyadenylation specificity factor subunit 3 protein (CPSF3). Wikipedia:CPSF3 phenio.json CPSF-73 inhibitor|CPSF-73 inhibitors|CPSF3 inhibitors|CPSF73 inhibitor|CPSF73 inhibitors|cleavage and polyadenylation specific factor 3 inhibitor|cleavage and polyadenylation specific factor 3 inhibitors|cleavage and polyadenylation specificity factor 73 KDa subunit inhibitor|cleavage and polyadenylation specificity factor 73 KDa subunit inhibitors|cleavage and polyadenylation specificity factor subunit 3 inhibitor|cleavage and polyadenylation specificity factor subunit 3 inhibitors http://purl.obolibrary.org/obo/CHEBI_167633 3_STAR
CHEBI:167637 biolink:ChemicalSubstance mycofactocin A small molecule derived from a peptide of the type known as RiPP (ribosomally synthesized and post-translationally modified peptides), naturally occurring in many types of Mycobacterium. MetaCyc:Mycofactocins|PMID:21223593|PMID:28634235|Wikipedia:Mycofactocin phenio.json http://purl.obolibrary.org/obo/CHEBI_167637 2_STAR
CHEBI:167638 biolink:ChemicalSubstance 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5. phenio.json 2-hydroxy-5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)benzamide|2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide http://purl.obolibrary.org/obo/CHEBI_167638 3_STAR
CHEBI:167639 biolink:ChemicalSubstance (S,S)-labetalol A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1S,2S-configuration. CAS:83167-24-2|Chemspider:118196|PMID:10853616|PMID:1447344|PMID:6124636 phenio.json 2-hydroxy-5-[(1S)-1-hydroxy-2-{[(2S)-4-phenylbutan-2-yl]amino}ethyl]benzamide|S,S-labetalol http://purl.obolibrary.org/obo/CHEBI_167639 3_STAR
CHEBI:16764 biolink:ChemicalSubstance 2'-deoxy-5-methyl-5'-cytidylic acid A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having 5-methylcytidine as the nucleobase. CAS:2498-41-1|KEGG:C03495|PDBeChem:5CM phenio.json 2'-Deoxy-5-methylcytidine 5'-monophosphate|2'-deoxy-5-methyl-5'-cytidylic acid|5-METHYL-2'-DEOXY-CYTIDINE-5'-MONOPHOSPHATE|5-Methyldeoxycytidine 5'-phosphate|Deoxy-5-methylcytidylate|Deoxy-5-methylcytidylic acid http://purl.obolibrary.org/obo/CHEBI_16764 3_STAR
CHEBI:167640 biolink:ChemicalSubstance (R,S)-labetolol A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1R,2S-configuration. CAS:83167-31-1|Chemspider:2308682|PMID:10853616|PMID:1447344|PMID:6124636 phenio.json 2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2S)-4-phenylbutan-2-yl]amino}ethyl]benzamide http://purl.obolibrary.org/obo/CHEBI_167640 3_STAR
CHEBI:167641 biolink:ChemicalSubstance (S,R)-labetolol A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1S,2R-configuration. CAS:83167-32-2|Chemspider:118198|PMID:10853616|PMID:1447344|PMID:34351937|PMID:6124636 phenio.json 2-hydroxy-5-[(1S)-1-hydroxy-2-{[(2R)-4-phenylbutan-2-yl]amino}ethyl]benzamide http://purl.obolibrary.org/obo/CHEBI_167641 3_STAR
CHEBI:167649 biolink:ChemicalSubstance 1-deoxynojirimycin-1-sulfonic acid A hydroxypiperidine that is duvoglustat carrying a sulfo group at position 6beta. It is an alpha-glucosidase inhibitor and an activator of the human glucose sensor SGLT3. CAS:81703-56-2|Chemspider:9303621|PMID:17110502|PMID:21471980 phenio.json (2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)-2-piperidinesulfonic acid|(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidine-2-sulfonic acid|nojirimycin 1-sulfonic acid http://purl.obolibrary.org/obo/CHEBI_167649 3_STAR
CHEBI:16765 biolink:ChemicalSubstance tryptamine An aminoalkylindole consisting of indole having a 2-aminoethyl group at the 3-position. CAS:61-54-1|DrugBank:DB08653|Gmelin:603448|HMDB:HMDB0000303|KEGG:C00398|KNApSAcK:C00001434|MetaCyc:TRYPTAMINE|PDBeChem:TSS|PMID:16126914|PMID:22770225|PMID:24345948|PMID:24558969|Reaxys:125513|Wikipedia:Tryptamine phenio.json 1H-indole-3-ethanamine|2-(1H-INDOL-3-YL)ETHANAMINE|2-(1H-indol-3-yl)ethanamine|2-(3-indolyl)ethylamine|3-(2-Aminoethyl)indole|Tryptamine http://purl.obolibrary.org/obo/CHEBI_16765 3_STAR
CHEBI:167650 biolink:ChemicalSubstance ASP-3026 A member of the class of diamino-1,3,5-triazines that is 1,3,5-triazine-2,4-diamine in which the amino groups at positions 2 and 4 are respectively carrying 2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl and 2-(propan-2-ylsulfonyl)phenyl substituents. It is a potent inhibitor of anaplastic lymphoma kinase (ALK), Ack and ROS1 activity (IC50 values are 3.5, 5.8 and 8.9 nM respectively) and exhibits anti-cancer properties. CAS:1097917-15-1|Chemspider:28424239|DrugBank:DB12729|PDBeChem:F6O|PMID:24419060|PMID:25026277|PMID:25727400|PMID:25749034|PMID:25888090|PMID:26020125|PMID:26027465|PMID:26964870|PMID:26966027|PMID:27565932|PMID:28930717|PMID:29491259|PMID:31177400|PMID:31340850|PMID:33053158|PMID:33331996 phenio.json 2-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1,3,5-triazine-2,4-diamine|ASP 3026|ASP3026|N(2)-[2-methoxy-4-[4-(4-methyl-1-piperazinyl)-1-piperidinyl]phenyl]-N(4)-[2-[(1-methylethyl)sulfonyl]phenyl]-1,3,5-triazine-2,4-diamine|N-{2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}-N'-[2-(propan-2-ylsulfonyl)phenyl]-1,3,5-triazine-2,4-diamine http://purl.obolibrary.org/obo/CHEBI_167650 3_STAR
CHEBI:167651 biolink:ChemicalSubstance AZD1080 A member of the class of hydroxyindoles that is 1H-indole substituted by hydroxy, 5-(morpholin-4-ylmethyl)pyridin-2-yl, and cyano groups at positions 2, 3 and 5, respectively. It is a potent, brain permeable inhibitor of human GSK3alpha and GSK3beta with Ki of 6.9 nM and 31 nM, respectively. The drug was being developed by AstraZeneca for the treatment of Alzheimer's disease (clinical trial now discontinued). CAS:612487-72-6|Chemspider:24808514|PMID:23410232|PMID:27050373|PMID:27051274|PMID:32184604|PMID:33422940 phenio.json 2-hydroxy-3-[5-(4-morpholinylmethyl)-2-pyridinyl]-1H-indole-5-carbonitrile|2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile|AZ-11548415|AZD 1080|AZD-1080 http://purl.obolibrary.org/obo/CHEBI_167651 3_STAR
CHEBI:167652 biolink:ChemicalSubstance AZD2858 A member of the class of pyrazines that is pyrazine substituted by (pyridin-3-yl)aminocarbonyl, amino, and 4-(4-methylpiperazine-1-sulfonyl)phenyl groups at positions 2, 3 and 6, respectively. It is a potent inhibitor of GSK3alpha and GSK3beta (IC50 values of 0.9 and 4.9 nM, respectively) and increases bone mass (via Wnt activation) in rats. CAS:486424-20-8|Chemspider:8314492|PDBeChem:GR9|PMCID:PMC4200977|PMCID:PMC6795005|PMID:22142634|PMID:22489897|PMID:23337038|PMID:23872097|PMID:27789709|PMID:28881139 phenio.json 3-amino-6-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-N-3-pyridinyl-2-pyrazinecarboxamide|3-amino-6-{4-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-N-(pyridin-3-yl)pyrazine-2-carboxamide|AZD 2858|AZD-2858 http://purl.obolibrary.org/obo/CHEBI_167652 3_STAR
CHEBI:167653 biolink:ChemicalSubstance AZD3463 A member of the class of indoles that is 1H-indole substituted by a 2-[4-(4-aminopiperidin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl group at position 3. It is an orally bioavailable dual inhibitor of ALK and IGF1R with Ki value of 0.75 nM for ALK. CAS:1356962-20-3|Chemspider:29315067|PMID:26571493|PMID:26786851|PMID:30647405|PMID:31346159|PMID:32355780|PMID:32698744|PMID:33109342|PMID:33141044 phenio.json AZD 3463|AZD-3463|N-[4-(4-amino-1-piperidinyl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)-2-pyrimidinamine|N-[4-(4-aminopiperidin-1-yl)-2-methoxyphenyl]-5-chloro-4-(1H-indol-3-yl)pyrimidin-2-amine http://purl.obolibrary.org/obo/CHEBI_167653 3_STAR
CHEBI:167654 biolink:ChemicalSubstance BAYu9773 A dicarboxylic acid that is that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 4S and a (4-carboxyphenyl)sulfanediyl group at 5R. It is a dual cysteinyl leukotriene receptor antagonist that acts at the CysLT1 and CysLT2 receptors (IC50 = 0.44 and 0.30 muM, respectively). CAS:154978-38-8|Chemspider:4470554|PMID:12466244|PMID:12598425|PMID:1659283|PMID:18315950|PMID:18503712|PMID:19118273|PMID:19563734|PMID:19941848|PMID:20014485|PMID:20423349|PMID:21396378|PMID:21646802|PMID:21903747|PMID:23801612|PMID:25408836|PMID:25707327|PMID:27198524|PMID:7698171|PMID:8982726|PMID:9597121|PMID:9797038 phenio.json 4-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanyl}benzoic acid|6(R)-(4-carboxyphenylthio)-5(S)-hydroxy-7(E),9(E),11(E),14(Z)-eicosatetraenoic acid|BAY u9773|BAY-u 9773|BAY-u9773 http://purl.obolibrary.org/obo/CHEBI_167654 3_STAR
CHEBI:167655 biolink:ChemicalSubstance BMS-214662 A member of the class of benzodiazepines that is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine substituted by (1H-imidazol-5-yl)methyl, benzyl, (thiophen-2-yl)sulfonyl, and cyano groups at positions 1, 3R, 4 and 7, respectively. It is a potent inhibitor of farnesyltransferase (IC50 = 1.35nM) which was under clinical development for the treatment of solid tumors. CAS:195987-41-8|Chemspider:395310|DrugBank:DB12234|PDBeChem:BMV|PMID:11020273|PMID:11606387|PMID:12789624|PMID:15073096|PMID:15102665|PMID:15170324|PMID:15356656|PMID:15710949|PMID:15728224|PMID:15738311|PMID:15756013|PMID:15930351|PMID:16362299|PMID:17510207|PMID:17956348|PMID:18156496|PMID:19738029|PMID:19883257|PMID:21483442|PMID:23184491|PMID:27688185 phenio.json (3R)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-(thiophen-2-ylsulfonyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile|(3R)-3-benzyl-1-(1H-imidazol-5-ylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile|(R)-2,3,4,5-tetrahydro-1-(1H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-(2-thienylsulfonyl)-1H-1,4-benzodiazepine-7-carbonitrile|(R)-7-cyano-2,3,4,5-tetrahydro-1-(1H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-(2-thienylsulfonyl)-1H-1,4-benzodiazepine|BMS 214662|BMS214662 http://purl.obolibrary.org/obo/CHEBI_167655 3_STAR
CHEBI:167656 biolink:ChemicalSubstance brivanib alaninate A carboxylic ester resulting from the formal condensation of the carboxy group of L-alanine with the hydroxy group of brivanib. It is a prodrug of brivanib (BMS-540215), a potent oral dual inhibitor of VEGFR-2 and FGFR-1 (IC50 of 25 nM and 148 nM, respectively) and was in development for the treatment of hepatocellular and colon carcinomas. CAS:649735-63-7|Chemspider:9330033|DrugBank:DB11865|KEGG:D08878|PMID:16570908|PMID:17638901|PMID:18288793|PMID:18815076|PMID:18829493|PMID:19396600|PMID:20024612|PMID:20303261|PMID:21115896|PMID:21289073|PMID:21391890|PMID:21629245|PMID:21659627|PMID:22189636|PMID:22983304|PMID:23030483|PMID:23690424|PMID:24325631|PMID:24780101|PMID:25470221|PMID:25724158|PMID:26852852|PMID:27771049|PMID:30855507|Wikipedia:Brivanib_alaninate phenio.json (1R,2S)-2-aminopropionic acid 2-[4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-1-methylethyl ester|(2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl (2S)-2-aminopropanoate|(2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-yl L-alaninate|BMS 582664|BMS-582664|BMS582664|alaninate de brivanib|alaninati brivanibum|alaninato de brivanib|brivanib alaninate http://purl.obolibrary.org/obo/CHEBI_167656 3_STAR
CHEBI:167657 biolink:ChemicalSubstance CHIR-98014 A member of the class of aminopyrimidines that is pyrimidine substituted by {2-[(6-amino-5-nitropyridin-2-yl)amino]ethyl}amino, 2,4-dichlorophenyl, and 1H-imidazol-1-yl groups at positions 2, 4 and 5, respectively. It is a potent ATP-competitive inhibitor of GSK3alpha and GSK3beta (IC50 values of 0.65 and 0.58 nM, respectively). CAS:252935-94-7|Chemspider:27445282|PMID:12606497|PMID:24779365|PMID:26149502|PMID:29016121|PMID:29436606|PMID:29842899|PMID:30662679|PMID:31540917|PMID:32236757|PMID:33667649 phenio.json 6-N-[2-[[4-(2,4-dichlorophenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine|CHIR 98014|CHIR98014|N(6)-(2-{[4-(2,4-dichlorophenyl)-5-(1H-imidazol-1-yl)pyrimidin-2-yl]amino}ethyl)-3-nitropyridine-2,6-diamine|N-6-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-1-yl)-2-pyrimidinyl]amino]ethyl]-3-nitro-2,6-pyridinediamine http://purl.obolibrary.org/obo/CHEBI_167657 3_STAR
CHEBI:167658 biolink:ChemicalSubstance CP-724714 A 2-methoxy-N-[3-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]prop-2-enyl]acetamide in which the double bond adopts a trans-configuration. It is a potent inhibitor of HER2/ErbB2 (IC50 = 10 nM) and exhibits anti-cancer activity. CAS:845680-17-3|Chemspider:8050601|DrugBank:DB12302|LINCS:LSM-42777|PMID:17285315|PMID:17317835|PMID:17805538|PMID:17942920|PMID:18500794|PMID:19223659|PMID:25426072|PMID:26846307|PMID:28014873|PMID:28902361|PMID:29662626|PMID:30858165|PMID:31613219|PMID:33463944 phenio.json (E)-2-methoxy-N-[3-[4-[[3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl]amino]quinazolin-6-yl]allyl]ethanamide|2-methoxy-N-[(2E)-3-(4-{3-methyl-4-[(6-methylpyridin-3-yl)oxy]anilino}quinazolin-6-yl)prop-2-en-1-yl]acetamide|2-methoxy-N-[(2E)-3-[4-[[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]amino]-6-quinazolinyl]-2-propen-1-yl]-acetamide|2-methoxy-N-[(E)-3-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]prop-2-enyl]acetamide|CP 724714|CP-724,714|CP724714 http://purl.obolibrary.org/obo/CHEBI_167658 3_STAR
CHEBI:167659 biolink:ChemicalSubstance GDC-0623 A member of the class of imidazopyridines that is imidazo[1,5-a]pyridine substituted by (2-fluoro-4-iodophenyl)amino and (2-hydroxyethoxy)aminoacyl groups at positions 5 and 6. It is a potent ATP non-competitive inhibitor of MEK1 (Ki = 0.13nM) and also has efficacy against both mutant BRAF and mutant KRAS. It is in clinical development for treatment of patients with locally advanced or metastatic solid tumors. CAS:1168091-68-6|Chemspider:30687718|DrugBank:DB11982|PDBeChem:LCJ|PMID:23934108|PMID:25193232|PMID:26245900|PMID:26438627|PMID:27422710|PMID:31581174|PMID:32238059 phenio.json 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide|5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide|G 868|G-868|G868|GDC 0623|GDC0623|RG 7421|RG-7421 http://purl.obolibrary.org/obo/CHEBI_167659 3_STAR
CHEBI:16766 biolink:ChemicalSubstance 4-carboxymethyl-4-methylbut-2-en-1,4-olide A 5-oxo-2-furylacetic acid having a 4-methyl substituent. KEGG:C04559|UM-BBD_compID:c0209 phenio.json (2-methyl-5-oxo-2,5-dihydrofuran-2-yl)acetic acid|4-Carboxymethyl-4-methylbut-2-en-1,4-olide|4-Methylmuconolactone|4-methylmuconolactone|5-carboxymethyl-5-methylfuran-2(5H)-one http://purl.obolibrary.org/obo/CHEBI_16766 3_STAR
CHEBI:167660 biolink:ChemicalSubstance LB42908 A member of the class of pyrrolecarboxamides that is 1H-pyrrole substituted by [1-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl, (4-methylpiperazin-1-yl)carbonyl, and naphthalen-1-yl groups at positions 1, 3 and 4, respectively. It is a potent inhibitor of Ras farnesyltransferase (IC50= 0.9nM against H-Ras and 2.4nM against K-Ras) with potential anticancer activity. CAS:226927-89-5|Chemspider:34980887|PMID:11714612|PMID:15812228|PMID:16331612|PMID:16712893|PMID:22497764|PMID:24059235 phenio.json (1-((1-(benzo[d][1,3]dioxol-5-ylmethyl)-1H-imidazol-5-yl)methyl)-4-(naphthalen-1-yl)-1H-pyrrol-3-yl)(4-methylpiperazin-1-yl)methanone|LB 42908|LB-42908|[1-[[3-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone|[1-{[1-(1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]-methyl}-4-(1-naphtyl)-1H-pyrrol-3-yl](4-methyl-1-piperazynyl)methanone|[1-{[1-(3a,7a-dihydro-1,3-benzodioxol-5-ylmethyl)-1H-imidazol-5-yl]methyl}-4-(naphthalen-1-yl)-1H-pyrrol-3-yl](4-methylpiperazin-1-yl)methanone http://purl.obolibrary.org/obo/CHEBI_167660 3_STAR
CHEBI:167661 biolink:ChemicalSubstance LY-2090314 A member of the class of diazepinoindoles that is 1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indole substituted by piperidin-1-ylcarbonyl, 4-(imidazo[1,2-a]pyridin-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl and fluoro groups at position 2, 7 and 9, respectively. It is a potent ATP-competitive inhibitor of glycogen synthase kinase-3 (GSK-3) with IC50 values of 1.5 nM and 0.9 nM for GSK-3alpha and GSK-3beta. The drug is in clinical development for the treatment of advanced/metastatic cancer. CAS:603288-22-8|Chemspider:8204956|DrugBank:DB11913|LINCS:LSM-45915|PMID:15267232|PMID:23305709|PMID:24658455|PMID:25915038|PMID:26403509|PMID:26735141|PMID:26967552|PMID:28397338|PMID:28766886|PMID:28772167|PMID:29593255|PMID:29751783|PMID:31261037|PMID:31562256|PMID:31623866|PMID:32382110|PMID:32391602|PMID:32539133 phenio.json 3-[9-fluoro-1,2,3,4-tetrahydro-2-(1-piperidinylcarbonyl)pyrrolo[3,2,1-jk][1,4]benzodiazepin-7-yl]-4-imidazo[1,2-a]pyridin-3-yl-1H-pyrrole-2,5-dione|3-[9-fluoro-2-(piperidin-1-ylcarbonyl)-1,2,3,4-tetrahydro[1,4]diazepino[6,7,1-hi]indol-7-yl]-4-(imidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2,5-dione|LY 2090314|LY2090314 http://purl.obolibrary.org/obo/CHEBI_167661 3_STAR
CHEBI:167662 biolink:ChemicalSubstance LY3009120 A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by methylamino, 5-{[(3,3-dimethylbutyl)carbamoyl]amino}-4-fluoro-2-methylphenyl, and methyl groups at positions 2, 6 and 7, respectively. It is a potent pan RAF inhibitor which inhibits BRAF(V600E), BRAF(WT) and CRAF(WT) (IC50 = 5.8, 9.1 and 15 nM, respectively). It also inhibits RAF homo- and heterodimers and exhibits anti-cancer properties. CAS:1454682-72-4|PDBeChem:4Z5|PMID:25965804|PMID:26343583|PMID:26732095|PMID:27422710|PMID:27999210|PMID:28382170|PMID:28576749|PMID:29059158|PMID:29903896|PMID:30272260|PMID:30622172|PMID:30944150|PMID:31645440|PMID:32366411|PMID:33255818|PMID:33565241 phenio.json 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea|DP 4978|DP-4978|DP4978|LY 3009120|LY-3009120|N-(3,3-dimethylbutyl)-N'-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea http://purl.obolibrary.org/obo/CHEBI_167662 3_STAR
CHEBI:167663 biolink:ChemicalSubstance MI-1148 A tripeptide comprising of L-arginine, 3-methyl-L-valine and L-arginine joined in sequence by peptide linkages and in which the amino terminus is substituted by a [4-(carbamimidamidomethyl)phenyl]acetyl group and the carboxy terminus is substituted by a (4-carbamimidoylbenzyl)amino group. It is a highly potent inhibitor of furin endoprotease (Ki = 5.5 pM) that has anti-infectious activity. Chemspider:35033268|PMID:21757345|PMID:22539349|PMID:25974265|PMID:29059503 phenio.json (2S)-5-carbamimidamido-2-{[(2S)-2-{[(2S)-5-carbamimidamido-2-{2-[4-(carbamimidamidomethyl)phenyl]acetamido}pentanoyl]amino}-3,3-dimethylbutanoyl]amino}-N-(4-carbamimidoylbenzyl)pentanamide|4-(guanidinomethyl)phenylacetyl-Arg-Tle-Arg-4-amidinobenzylamide|4-guanidinomethyl-Phac-Arg-Tle-Arg-4-amba|4-guanidinomethyl-phenylacteyl-Arg-Tle-Arg-4-amidinobenzylamide|MI 1148|MI1148|N(2)-{[4-(carbamimidamidomethyl)phenyl]acetyl}-L-arginyl-3-methyl-L-valyl-N-(4-carbamimidoylbenzyl)-L-argininamide|N(2)-{[4-(carbamimidamidomethyl)phenyl]acetyl}-L-arginyl-3-methyl-L-valyl-N-[(4-carbamimidoylphenyl)methyl]-L-argininamide http://purl.obolibrary.org/obo/CHEBI_167663 3_STAR
CHEBI:167664 biolink:ChemicalSubstance MK-8353 A member of the class of indazoles that is 1H-indazole substituted by a 6-(propan-2-yloxy)pyridin-3-yl group at position 3 and by a {[(3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)pyrrolidin-3-yl]carbonyl}amino group at position 5. It is a potent and selective inhibitor of ERK1 and ERK2 in vitro (IC50 values of 23.0 nM and 8.8 nM, respectively). The drug is being developed by Merck Sharp & Dohme and is currently in clinical development for the treatment of advanced/metastatic solid tumors. CAS:1184173-73-6|PDBeChem:G67|PMID:29467321|PMID:30034615|PMID:30794926|PMID:30797103|PMID:32202379 phenio.json (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-{3-[6-(propan-2-yloxy)pyridin-3-yl]-1H-indazol-5-yl}pyrrolidine-3-carboxamide|MK 8353|MK8353|SCH-900353|SCH900353 http://purl.obolibrary.org/obo/CHEBI_167664 3_STAR
CHEBI:167665 biolink:ChemicalSubstance MP-A08 A sulfonamide that consists of two moieties of 4-methyl-N-phenylbenzenesulfonamide connected to each other at position 2 by an aldimine linker. It is a ATP-competitive inhibitor of sphingosine kinase that targets both SK1 and SK2 (Ki values of 27 muM and 6.9 muM, respectively) and exhibits anti-cancer properties. CAS:219832-49-2|Chemspider:24832025|PMID:25788259|PMID:26822263 phenio.json 4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]iminomethyl]phenyl]benzenesulfonamide|4-methyl-N-{2-[(2-{[(4-methylphenyl)sulfonyl]amino}benzylidene)amino]phenyl}benzenesulfonamide|MP A08|MPA08 http://purl.obolibrary.org/obo/CHEBI_167665 3_STAR
CHEBI:167666 biolink:ChemicalSubstance N-ethyl-1-deoxynojirimycin A hydroxypiperidine that is duvoglustat in which the amino hydrogen is replaced by an ethyl group. It is an inhibitor of alpha-glucosidase, an agonist of the glucose sensor SGLT3 and exhibits anti-HIV activity. CAS:72458-42-5|Chemspider:397723|PMID:17110502|PMID:3169233|PMID:3264071 phenio.json (2R,3R,4R,5S)-1-ethyl-2-(hydroxymethyl)-3,4,5-piperidinetriol|(2R,3R,4R,5S)-1-ethyl-2-(hydroxymethyl)piperidine-3,4,5-triol|EtDNJ|N-ethyl-DNJ|N-ethyldeoxynojirimycin|N-ethylmoranoline http://purl.obolibrary.org/obo/CHEBI_167666 3_STAR
CHEBI:167667 biolink:ChemicalSubstance garomefrine A sulfonamide that is benzene substituted by (methylsulfonyl)amino, (1R)-2-amino-1-hydroxyethyl and fluoro groups at positions 1, 3 and 4, respectively. It is a selective agonist of alpha1A adrenoreceptor. CAS:137431-02-8|Chemspider:8014483|PMID:10367106|PMID:10425363|PMID:10468772|PMID:11413741|PMID:15100386|PMID:8719417|PMID:9007522 phenio.json (-)-garomefrin|N-{3-[(1R)-2-amino-1-hydroxyethyl]-4-fluorophenyl}methanesulfonamide|NS-49 (free base) http://purl.obolibrary.org/obo/CHEBI_167667 3_STAR
CHEBI:167668 biolink:ChemicalSubstance (2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol A 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol that has R-configuration. It is a sphingosine kinase-2 inhibitor. CAS:1382486-90-9|Chemspider:28667627|PMID:12954648|PMID:21620961|PMID:23113536|PMID:23314175|PMID:24396570|PMID:24471412|PMID:24486401|PMID:24970170|PMID:25643074|PMID:26985306|PMID:27864936|PMID:28408190|PMID:30359564|PMID:33035646 phenio.json (2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol|(R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol|(R)-FTY720 methyl ether|(R)-FTY720-OMe http://purl.obolibrary.org/obo/CHEBI_167668 3_STAR
CHEBI:167669 biolink:ChemicalSubstance (E)-2-[[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid A member of the class of 1,3-thiazoles that is 1,3-thiazole substituted by (2E)-2-(2-carboxybenzylidene)hydrazinyl and 2-chlorophenyl groups at positions 2 and 4, respectively. It is a potent inhibitor of human dihydroorotate dehydrogenase (hDHODH) with IC50 of 32 nM. It exhibits antineoplastic activity and broad-spectrum antiviral activity against various RNA viruses including influenza A, Zika, Ebola, and SARS-CoV-2 viruses. PDBeChem:3X2|PMID:32754890 phenio.json 2-[(E)-{2-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]benzoic acid|S312 http://purl.obolibrary.org/obo/CHEBI_167669 3_STAR
CHEBI:16767 biolink:ChemicalSubstance 3,4-dichloroaniline A dichloroaniline having the two chloro-substituents at the 3- and 4-positions. Beilstein:636837|CAS:95-76-1|Gmelin:602350|KEGG:C02791|PMID:16169045 phenio.json 1-amino-3,4-dichlorobenzene|3,4-DCA|3,4-Dichloranilin|3,4-Dichloroaniline|3,4-dichloraniline|3,4-dichloroaniline|3,4-dichlorobenzenamine|4,5-dichloroaniline|m,p-dichloroaniline http://purl.obolibrary.org/obo/CHEBI_16767 3_STAR
CHEBI:167670 biolink:ChemicalSubstance SCH772984 A member of the class of indazoles that is 1H-indazole substituted by pyridin-4-yl and {[(3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidin-3-yl]carbonyl}amino groups at positions 3 and 5, respectively. It is a potent inhibitor of mitogen-activated protein kinases ERK1 and ERK2 (IC50 = 4 and 1 nM, respectively) that exhibits anti-cancer properties. CAS:942183-80-4|LINCS:LSM-45224|PDBeChem:38Z|PDBeChem:F3Z|PMID:23847348|PMID:25142146|PMID:25195011|PMID:26832798|PMID:27275127|PMID:28781955|PMID:29193645|PMID:29262554|PMID:29775310|PMID:30915617|PMID:31055884|PMID:31311868|PMID:32652503|PMID:32821122|PMID:33105944|PMID:33151174|PMID:33231464|PMID:33258389|PMID:33595872|PMID:33692846|PMID:33706642 phenio.json (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide|(3R)-1-[2-oxo-2-[4-[4-(2-pyrimidinyl)phenyl]-1-piperazinyl]ethyl]-N-[3-(4-pyridinyl)-1H-indazol-5-yl]-3-pyrrolidinecarboxamide|SCH 772984|SCH-772984 http://purl.obolibrary.org/obo/CHEBI_167670 3_STAR
CHEBI:167671 biolink:ChemicalSubstance SLM6071469 A 1,2,4-oxadiazole that is substituted by 3-(trifluoromethyl)-4-{[4-(trifluoromethyl)benzyl]oxy}phenyl and (2S)-1-carbamimidoylpyrrolidin-2-yl groups at positions 3 and 5, respectively. It is a potent inhibitor of sphingosine kinase 2 (SphK2) with Ki of 89 nM. Chemspider:88298529|PMID:31895563|Patent:WO2017172989 phenio.json (2S)-2-[3-[3-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboximidamide|(2S)-2-{3-[3-(trifluoromethyl)-4-{[4-(trifluoromethyl)benzyl]oxy}phenyl]-1,2,4-oxadiazol-5-yl}pyrrolidine-1-carboximidamide|(S)-2-(3-(3-(trifluoromethyl)-4-((4-(trifluoromethyl)benzyl)oxy)phenyl)-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboximidamide|SLM 6071469|SLM-6071469 http://purl.obolibrary.org/obo/CHEBI_167671 3_STAR
CHEBI:167672 biolink:ChemicalSubstance TAK-580 A 1,3-thiazolecarboxamide that is 2-[(1R)-1-aminoethyl]-1,3-thiazole-5-carboxylic acid in which the carboxy group undergoes formal condensation with the amino group of 5-chloro-4-(trifluoromethyl)pyridin-2-amine and in which the amino group undergoes formal condensation with the carboxy group of 6-amino-5-chloropyrimidine-4-carboxylic acid. It is a pan-RAF kinase inhibitor which is currently in clinical development for the treatment of radiographically recurrent or progressive low-grade glioma in children and young adults. CAS:1096708-71-2|Chemspider:28637796|DrugBank:DB15266|LINCS:LSM-45644|PDBeChem:QOP|PMCID:PMC6012010|PMCID:PMC7715228|PMCID:PMC7715396|PMID:27768280|PMID:28082416|PMID:30622172|PMID:32588846|PMID:33216827|Patent:US20090036419 phenio.json 2-[(1R)-1-[(6-amino-5-chloropyrimidine-4-carbonyl)amino]ethyl]-N-[5-chloro-4-(trifluoromethyl)pyridin-2-yl]-1,3-thiazole-5-carboxamide|6-amino-5-chloro-N-[(1R)-1-(5-{[5-chloro-4-(trifluoromethyl)pyridin-2-yl]carbamoyl}-1,3-thiazol-2-yl)ethyl]pyrimidine-4-carboxamide|AMG 2112819|AMG-2112819|AMG2112819|BIIB 024|BIIB-024|BIIB024|DAY101|MLN 2480|MLN-2480|MLN2480|TAK 580|TAK580 http://purl.obolibrary.org/obo/CHEBI_167672 3_STAR
CHEBI:167673 biolink:ChemicalSubstance TAK-632 A member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAF(V600E), BRAF(WT), respectively. CAS:1228591-30-7|PDBeChem:1SU|PMID:23906342|PMID:24121489|PMID:26862741|PMID:27155899|PMID:29727562|PMID:30825190|PMID:31095385|PMID:31734178 phenio.json N-(7-cyano-6-(4-fluoro-3-(2-(3-(trifluoromethyl)phenyl)acetamido)phenoxy)benzo[d]thiazol-2-yl)cyclopropanecarboxamide|N-[5-[[7-cyano-2-[(cyclopropylcarbonyl)amino]-6-benzothiazolyl]oxy]-2-fluorophenyl]-3-(trifluoromethyl)-benzeneacetamide|N-[7-cyano-6-(4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide|TAK 632|TAK632 http://purl.obolibrary.org/obo/CHEBI_167673 3_STAR
CHEBI:167674 biolink:ChemicalSubstance tesevatinib A member of the class of quinazolines that is quinazoline substituted by (3,4-dichloro-2-fluorophenyl)amino, methoxy, and [(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy groups at positions 4, 6 and 7, respectively. It is a multi-target tyrosine kinase inhibitor of EGFR, ErbB2, KDR, Flt4 and EphB4 and exhibits anti-cancer properties. CAS:781613-23-8|Chemspider:32699556|DrugBank:DB11973|KEGG:D11772|PMID:17575237|PMID:18413839|PMID:18520300|PMID:19362942|PMID:22011666|PMID:22173702|PMID:22722787|PMID:23411383|PMID:28729967|PMID:30030583|PMID:31692482|Wikipedia:Tesevatinib phenio.json 7-{[(3aR,5R,6aS)-2-methyl-octahydrocyclopenta[c]pyrrol-5-yl]methoxy}-N-(3,4-dichloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine|EXEL 7647|EXEL-7647|EXEL7647|KD 019|KD-019|KD019|N-(3,4-dichloro-2-fluorophenyl)-6-methoxy-7-{[(3aR,5r,6aS)-2-methyloctahydrocyclopenta[c]pyrrol-5-yl]methoxy}quinazolin-4-amine|XL 647|XL-647|XL647|tesevatinib|tesevatinibum http://purl.obolibrary.org/obo/CHEBI_167674 3_STAR
CHEBI:167677 biolink:ChemicalSubstance EC 6.1.1.6 (lysine--tRNA ligase) inhibitor An EC 6.1.1.* (ligases forming aminoacyl tRNA and related compounds) inhibitor that specifically inhibits the action of lysine-tRNA ligase (EC 6.1.1.6). Wikipedia:Lysine-tRNA_ligase phenio.json EC 6.1.1.6 (lysine--tRNA ligase) inhibitors|EC 6.1.1.6 inhibitor|EC 6.1.1.6 inhibitors|L-lysine-transfer RNA ligase inhibitor|L-lysine-transfer RNA ligase inhibitors|L-lysine:tRNA(Lys) ligase (AMP-forming) inhibitor|L-lysine:tRNA(Lys) ligase (AMP-forming) inhibitors|LysRS inhibitor|LysRS inhibitors|lysine translase inhibitor|lysine translase inhibitors|lysine--tRNA ligase inhibitor|lysine--tRNA ligase inhibitors|lysine-tRNA synthetase inhibitor|lysine-tRNA synthetase inhibitors|lysyl-tRNA synthetase inhibitor|lysyl-tRNA synthetase inhibitors|lysyl-transfer RNA synthetase inhibitor|lysyl-transfer RNA synthetase inhibitors|lysyl-transfer ribonucleate synthetase inhibitor|lysyl-transfer ribonucleate synthetase inhibitors http://purl.obolibrary.org/obo/CHEBI_167677 3_STAR
CHEBI:167679 biolink:ChemicalSubstance garomefrine(1+) A primary ammonium ion that is the conjugate acid of garomefrine, obtained from the protonation of the primary amino group. Major microspecies at pH 7.3. phenio.json (2R)-2-{2-fluoro-5-[(methylsulfonyl)amino]phenyl}-2-hydroxyethanaminium|garomefrine cation http://purl.obolibrary.org/obo/CHEBI_167679 3_STAR
CHEBI:16768 biolink:ChemicalSubstance mycothiol A pseudodisaccharide, 1D-myo-inosityl-alpha-D-glucopyranoside, in which the hydroxy group at the 2-position of the glucose moiety is replaced by an (N-acetyl-L-cysteinyl)amido group. Beilstein:9308053|CAS:192126-76-4|KEGG:C06717|KEGG:G11174|MetaCyc:CPD1G-2|PMID:11929223|PMID:12809551|PMID:14594852|PMID:16768|PMID:17428791|PMID:17644601|PMID:18772286|PMID:19505149|PMID:21919472|PMID:22992771|PMID:23428102|PMID:23615850|PMID:9804803|Reaxys:9308053|Wikipedia:Mycothiol phenio.json (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl 2-[(N-acetyl-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranoside|1-D-myo-inositol-2-(N-acetyl-L-cysteinyl)amino-2-deoxy-alpha-D-glucopyranoside|1-O-(2'-[N-acetyl-L-cysteinyl]amido-2'-deoxy-alpha-D-glucopyranosyl)-D-myo-inositol|1-O-(2-[N-acetyl-L-cysteinyl]amido-2-deoxy-alpha-D-glucopyranosyl)-D-myo-inositol|1-O-[2-(N(2)-acetyl-L-cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-1D-myo-inositol|1-O-[2-(N-acetyl-L-cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-D-myo-inositol|1-O-[2-[[(2R)-2-(acetylamino)-3-mercapto-1-oxopropyl]amino]-2-deoxy-alpha-D-glucopyranosyl]-D-myo-inositol|1-O-{2-[(N-acetyl-L-cysteinyl)amino]-2-deoxy-alpha-D-glucopyranosyl}-1D-myo-inositol|1D-1-O-[2-(N-acetyl-L-cysteinamido)-2-deoxy-alpha-D-glucopyranosyl]-myo-inositol|AcCys-GlcN-Ins|MSH|Mycothiol|mycothiol http://purl.obolibrary.org/obo/CHEBI_16768 3_STAR
CHEBI:167686 biolink:ChemicalSubstance brivanib A secondary alcohol resulting from the hydrolysis of the carboxylic ester group of brivanib alaninate. It is a dual VEGFR-2/FGFR-1 kinase inhibitor whose alanine prodrug, brivanib alaninate is currently under development as an oral agent for the treatment of cancer. CAS:649735-46-6|Chemspider:9409099|DrugBank:DB11958|KEGG:D09589|PMID:16570908|PMID:18288793|PMID:19396600|PMID:20671097|PMID:21289073|PMID:24780101|PMID:30595557|PMID:31270802|PMID:31522033|PMID:31633365|Patent:WO2011044019 phenio.json (2R)-1-({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-ol|(R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5- methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan- 2-ol|BMS 540215|BMS-540215|BMS540215 http://purl.obolibrary.org/obo/CHEBI_167686 3_STAR
CHEBI:16769 biolink:ChemicalSubstance 2-oxoglutaramate CAS:18465-19-5|KEGG:C00940 phenio.json 2-oxoglutaramate|5-amino-2,5-dioxopentanoate|alpha-ketoglutaramate http://purl.obolibrary.org/obo/CHEBI_16769 3_STAR
CHEBI:167695 biolink:ChemicalSubstance Punicalagin Chemspider:29272136 phenio.json 6,7,8,11,12,23,24,27,28,29,37,43,44,45,48,49,50-heptadecahydroxy-2,14,21,33,36,39,54-heptaoxaundecacyclo[33.20.0.04,9.010,19.013,18.016,25.017,22.026,31.038,55.041,46.047,52]pentapentaconta-4,6,8,10,12,16,18,22,24,26,28,30,41,43,45,47,49,51-octadecaene-3,15,20,32,40,53-hexone http://purl.obolibrary.org/obo/CHEBI_167695 2_STAR
CHEBI:16770 biolink:ChemicalSubstance N(5)-(L-1-carboxyethyl)-L-ornithine The N(5)-[(S)-1-carboxyethyl] derivative of L-ornithine. KEGG:C04210 phenio.json N(5)-[(1S)-1-carboxyethyl]-L-ornithine|N5-(L-1-Carboxyethyl)-L-ornithine http://purl.obolibrary.org/obo/CHEBI_16770 3_STAR
CHEBI:167704 biolink:ChemicalSubstance necroptosis inhibitor Any substance that inhibits the process of necroptosis (programmed form of necrosis) in organisms. phenio.json necroptosis inhibitors http://purl.obolibrary.org/obo/CHEBI_167704 3_STAR
CHEBI:167707 biolink:ChemicalSubstance acalabrutinib A member of the class of imidazopyrazines that is imidazo[1,5-a]pyrazine substituted by 4-(pyridin-2-ylcarbamoyl)phenyl, (2S)-1-(but-2-ynoyl)pyrrolidin-2-yl, and amino groups at positions 1, 3 and 8, respectively. It is an irreversible second-generation Bruton's tyrosine kinase (BTK) inhibitor that is approved by the FDA for the treatment of adult patients with mantle cell lymphoma (MCL) who have received at least one prior therapy. CAS:1420477-60-6|Chemspider:36764951|DrugBank:DB11703|Drug_Central:5260|KEGG:D10893|PMID:26641137|PMID:26957112|PMID:28642301|PMID:28882879|PMID:30664965|PMID:30681658|PMID:30967367|PMID:31306750|PMID:31355927|PMID:31686856|PMID:31738609|PMID:31866282|PMID:31915195|PMID:32202637|PMID:32256115|PMID:32305083|PMID:32358576|PMID:32675912|PMID:32678359|PMID:32757302|PMID:33032842|PMID:33216986|PMID:33322571|PMID:33427570|PMID:33441177|PMID:33486852|PMID:33491779|PMID:33526860|PMID:33613932|PMID:33728735|PMID:33730844|Wikipedia:Acalabrutinib phenio.json (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl)benzamide|4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(2-pyridyl)benzamide|4-{8-amino-3-[(2S)-1-(but-2-ynoyl)pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-(pyridin-2-yl)benzamide|ACP-196|Calquence|acalabrutinib|acalabrutinibum http://purl.obolibrary.org/obo/CHEBI_167707 3_STAR
CHEBI:167708 biolink:ChemicalSubstance 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol An aminoalcohol that is benzene substituted by a 3-amino-3-(hydroxymethyl)-4-methoxybutyl group at position 1 and an octyl group at position 4. phenio.json 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol|FTY720 methyl ether|FTY720-OMe http://purl.obolibrary.org/obo/CHEBI_167708 3_STAR
CHEBI:16771 biolink:ChemicalSubstance adenosine 5'-phosphoramidate The phosphoramadite analogue of AMP. CAS:6154-31-0|KEGG:C03851|MetaCyc:CPD-487|Reaxys:54615 phenio.json AMP-NH2|Adenosine 5'-phosphoramidate|adenosine 5'-(hydrogen phosphoramidate) http://purl.obolibrary.org/obo/CHEBI_16771 3_STAR
CHEBI:16772 biolink:ChemicalSubstance xylitol 5-phosphate DrugBank:DB01904|KEGG:C02895 phenio.json D-Xylitol 5-phosphate|D-xylitol 5-(dihydrogen phosphate)|Xylitol 5-phosphate http://purl.obolibrary.org/obo/CHEBI_16772 3_STAR
CHEBI:167729 biolink:ChemicalSubstance Methanandamide CAS:157182-49-5|Chemspider:4881984|LINCS:LSM-44079|LIPID_MAPS_instance:LMFA08020040 phenio.json (5Z,8Z,11Z,14Z)-N-[(2R)-1-hydroxypropan-2-yl]icosa-5,8,11,14-tetraenamide http://purl.obolibrary.org/obo/CHEBI_167729 2_STAR
CHEBI:16773 biolink:ChemicalSubstance trans-2-chloro-4-carboxymethylenebut-2-en-1,4-olide The trans-isomer of 2-chloro-4-carboxymethylenebut-2-en-1,4-olide. CAS:22752-93-8|KEGG:C04729|UM-BBD_compID:c0291 phenio.json (2Z)-(4-chloro-5-oxofuran-2(5H)-ylidene)acetic acid|trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide|trans-2-Chlorodienelactone|trans-2-chloro-4-carboxymethylenebut-2-en-1,4-olide|trans-2-chlorodienelactone http://purl.obolibrary.org/obo/CHEBI_16773 3_STAR
CHEBI:16774 biolink:ChemicalSubstance (2-cis,6-trans)-farnesol Beilstein:1723038|CAS:3790-71-4|KEGG:C03220 phenio.json (2-cis,6-trans)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol|(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol|(2Z,6E)-farnesol|(Z,E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-ol|(Z,E)-farnesol|2-cis,6-trans-Farnesol|cis,trans-farnesol http://purl.obolibrary.org/obo/CHEBI_16774 3_STAR
CHEBI:16775 biolink:ChemicalSubstance 3-aci-nitropropanoic acid An aci-nitro compound resulting from the tautomerisation of the nitro group of 3-nitropropanoic acid. KEGG:C03071 phenio.json 3-(hydroxynitrorylidene)propanoic acid|3-[hydroxy(oxido)-lambda(5)-azanylidene]propanoic acid|3-[hydroxy(oxido)imino]propanoic acid|3-aci-Nitoropropionic acid|3-aci-Nitropropionic acid|3-aci-nitropropanoic acid http://purl.obolibrary.org/obo/CHEBI_16775 3_STAR
CHEBI:16776 biolink:ChemicalSubstance tabersonine A monoterpenoid indole alkaloid with cytotoxic activity. CAS:4429-63-4|KEGG:C09244|KNApSAcK:C00001773|PMID:16667836|PMID:23137274|Reaxys:50163 phenio.json (5alpha,12beta,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylic acid, methyl ester|Tabersonin|Tabersonine|methyl (5alpha,12beta,19alpha)-2,3,6,7-tetradehydroaspidospermidine-3-carboxylate|methyl 2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate http://purl.obolibrary.org/obo/CHEBI_16776 3_STAR
CHEBI:16777 biolink:ChemicalSubstance berbamunine CAS:485-18-7|KEGG:C05177|KNApSAcK:C00025262|KNApSAcK:C00027522 phenio.json (1S)-1,2,3,4-Tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol|(1S)-1,2,3,4-tetrahydro-1-[[4-[2-hydroxy-5-[[(1R)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol|(1S)-1-[4-(2-hydroxy-5-{[(1R)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}phenoxy)benzyl]-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol|Berbamunine http://purl.obolibrary.org/obo/CHEBI_16777 3_STAR
CHEBI:16778 biolink:ChemicalSubstance apigenin 7-O-beta-D-glucoside A glycosyloxyflavone that is apigenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. CAS:578-74-5|HMDB:HMDB0037340|KEGG:C04608|KNApSAcK:C00001017|LINCS:LSM-2286|MetaCyc:APIGENIN-7-O-BETA-D-GLUCOSIDE|PMID:17186490|PMID:19112896|PMID:21656359|PMID:21756194|Reaxys:65669|Wikipedia:Apigetrin phenio.json 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside|7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone|Apigenin 7-O-glucoside|Apigetrin|Cosmetin|Cosmosiin|Cosmosioside|apigenin 7-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_16778 3_STAR
CHEBI:16780 biolink:ChemicalSubstance N-(6-aminohexanoyl)-6-aminohexanoate KEGG:C01255 phenio.json 6-(6-aminohexanamido)hexanoate|6-[(6-aminohexanoyl)amino]hexanoate|N-(6-Aminohexanoyl)-6-aminohexanoate http://purl.obolibrary.org/obo/CHEBI_16780 3_STAR
CHEBI:16782 biolink:ChemicalSubstance (S)-2-hydroxyglutarate(2-) A 2-hydroxyglutarate(2-) that has (2S)-configuration. KEGG:C03196|MetaCyc:CPD-381|Reaxys:5257108 phenio.json (2S)-2-hydroxypentanedioate|(S)-2-hydroxyglutarate http://purl.obolibrary.org/obo/CHEBI_16782 3_STAR
CHEBI:16783 biolink:ChemicalSubstance 1D-myo-inositol 1,3,4,5-tetrakisphosphate A myo-inositol tetrakisphosphate having the four phosphates placed in the 1-, 3-, 4- and 5-positions. Beilstein:4342568|DrugBank:DB01863|KEGG:C01272|PDBeChem:4IP phenio.json 1D-myo-Inositol 1,3,4,5-tetrakisphosphate|1D-myo-inositol 1,3,4,5-tetrakis(dihydrogen phosphate)|1D-myo-inositol 1,3,4,5-tetrakisphosphate|D-myo-Inositol 1,3,4,5-tetrakisphosphate|Inositol 1,3,4,5-tetrakisphosphate http://purl.obolibrary.org/obo/CHEBI_16783 3_STAR
CHEBI:167830 biolink:ChemicalSubstance isorhapontigenin A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 5, while the other phenyl group is substituted by a methoxy group at position 3 and a hydroxy group at position 4. It natural product isolated from the seeds of Aiphanes aculeata and has antioxidant, anti-tumour, and anti-inflammatory effects. Chemspider:4477172|FooDB:FDB008478|HMDB:HMDB0303171|KNApSAcK:C00015797|MetaCyc:CPD-27168|PMID:11440571|PMID:31461638|PMID:31512108|PMID:32178518|PMID:33777675|PMID:33798789|PMID:34102010|PMID:34332039|PMID:35532178|PMID:35720190|PMID:35960477|PMID:36039137|PMID:36045117|PMID:36214721|PMID:36325776|PMID:36367849|PMID:37619952|PMID:37624928|PMID:38002023|PMID:38339062|PMID:38728614|PMID:38837389|PMID:38879516|PMID:39046236|PMID:39067404|PMID:39326106|Wikipedia:Isorhapontigenin phenio.json (E)-isorhapontigenin|3'-methoxyresveratrol|5-[(1E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1,3-benzenediol|5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]benzene-1,3-diol|ISO|isorhapontigenin|isorhapotigenin|isorhapotogenin http://purl.obolibrary.org/obo/CHEBI_167830 3_STAR
CHEBI:16784 biolink:ChemicalSubstance 6beta-hydroxy-17beta-estradiol KEGG:C03935|LIPID_MAPS_instance:LMST02010031 phenio.json 6beta-Hydroxyestradiol-17beta|6beta-hydroxyestradiol-17beta|estra-1,3,5(10)-triene-3,6beta,17beta-triol http://purl.obolibrary.org/obo/CHEBI_16784 3_STAR
CHEBI:16785 biolink:ChemicalSubstance diisopropyl hydrogen phosphate CAS:1611-31-0|KEGG:C03113 phenio.json Diisopropyl phosphate|Diisopropylphosphate|Phosphoric acid, bis(1-methylethyl) ester|diisopropyl hydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_16785 3_STAR
CHEBI:16786 biolink:ChemicalSubstance vestitone A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 7 and 2' and a methoxy group at position 4'. CAS:158112-50-6|CAS:66211-83-4|HMDB:HMDB0031620|KEGG:C00786|KNApSAcK:C00002584|LIPID_MAPS_instance:LMPK12050462|MetaCyc:VESTITONE|PMID:20079815|PMID:22117168|Reaxys:19983204 phenio.json (3R)-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one|(3R)-vestitol|(3R)-vestitone|2,3-Dihydro-7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one|7,2'-Dihydroxy-4'-methoxyisoflavanone|Vestitone http://purl.obolibrary.org/obo/CHEBI_16786 3_STAR
CHEBI:167868 biolink:ChemicalSubstance morpholinium A secondary ammonium ion that is the conjugate acid of morpholine resulting from the protonation of the NH group. Major microspecies at pH 7.3. Chemspider:4199185|MetaCyc:MORPHOLINE|PMID:19586072|PMID:25681783|PMID:26099357|PMID:26744296|PMID:28407378|PMID:28707619|PMID:32149213|PMID:32272314 phenio.json morpholin-4-ium http://purl.obolibrary.org/obo/CHEBI_167868 3_STAR
CHEBI:16787 biolink:ChemicalSubstance 1-phospho-alpha-D-glucuronic acid The 1-O-phospho derivative of alpha-D-glucuronic acid. KEGG:C05385 phenio.json 1-O-phosphono-alpha-D-glucopyranuronic acid|1-Phospho-alpha-D-glucuronate http://purl.obolibrary.org/obo/CHEBI_16787 3_STAR
CHEBI:16788 biolink:ChemicalSubstance CMP-N-acyl-beta-neuraminic acid A CMP-sugar in which the sugar component consists of any N-acyl-beta-neuraminic acid. KEGG:C01064 phenio.json CMP-N-acylneuraminate http://purl.obolibrary.org/obo/CHEBI_16788 3_STAR
CHEBI:167885 biolink:ChemicalSubstance primary fluorescent dioxobilin-type chlorophyll catabolite(1-) phenio.json pFDCC(1-)|primary FDCC(1-)|primary fluorescent dioxobilin-type chlorophyll catabolite http://purl.obolibrary.org/obo/CHEBI_167885 2_STAR
CHEBI:167889 biolink:ChemicalSubstance O13(4)-desmethyl primary fluorescent dioxobilin-type chlorophyll catabolite(2-) PMID:22147518|PMID:27109476 phenio.json O13(4)-desmethyl pFDCC http://purl.obolibrary.org/obo/CHEBI_167889 2_STAR
CHEBI:16789 biolink:ChemicalSubstance aldehydo-D-lyxose A D-lyxose in open-chain aldehyde form. CAS:1114-34-7|GlyTouCan:G88438YV|KEGG:C00476 phenio.json D-Lyx|D-Lyxose|D-lyxo-pentose|D-lyxose|WURCS=2.0/1,1,0/[o112h]/1/ http://purl.obolibrary.org/obo/CHEBI_16789 3_STAR
CHEBI:167890 biolink:ChemicalSubstance glycyl-L-glutamate(1-) residue PMID:28576883 phenio.json glycyl-L-glutamate residue http://purl.obolibrary.org/obo/CHEBI_167890 2_STAR
CHEBI:16790 biolink:ChemicalSubstance 15,16-dihydrobiliverdin CAS:137429-14-2|KEGG:C11630 phenio.json 15,16-Dihydrobiliverdin|15,16-Dihydrobiliverdin IXalpha|8,12-bis(2-carboxyethyl)-3,18-ethenyl-2,7,13,17-tetramethyl-15,16-dihydrobilin-1,19(21H,24H)-dione http://purl.obolibrary.org/obo/CHEBI_16790 3_STAR
CHEBI:16791 biolink:ChemicalSubstance vinorine KEGG:C11807 phenio.json 22-norajmala-1,19-dien-17alpha-yl acetate|Vinorine|vinorine http://purl.obolibrary.org/obo/CHEBI_16791 3_STAR
CHEBI:16792 biolink:ChemicalSubstance oxidized Photinus luciferin Beilstein:919274|DrugBank:DB08326|KEGG:C03797 phenio.json 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5H)-one|Oxidized Photinus luciferin|firefly oxyluciferin http://purl.obolibrary.org/obo/CHEBI_16792 3_STAR
CHEBI:16793 biolink:ChemicalSubstance mercury(2+) KEGG:C00703|PDBeChem:HG|UM-BBD_compID:c0096 phenio.json Hg(2+)|Hg2+|MERCURY (II) ION|Mercuric ion|mercuric ion|mercury(2+)|mercury(2+) ion|mercury(II)|mercury(II) cation http://purl.obolibrary.org/obo/CHEBI_16793 3_STAR
CHEBI:16794 biolink:ChemicalSubstance scopolamine A tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. CAS:51-34-3|DrugBank:DB00747|HMDB:HMDB0003573|KEGG:C01851|KEGG:D00138|KNApSAcK:C00002292|MetaCyc:SCOPOLAMINE|PMID:11718188|PMID:23334071|Reaxys:91904|Wikipedia:Scopolamine phenio.json (-)-Hyoscine|(-)-hyoscine|(-)-scopolamine|(1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate|(1S,3S,5R,6R,7S)-6,7-epoxytropan-3-yl (2S)-3-hydroxy-2-phenylpropanoate|6,7-Epoxytropine tropate|6-beta,7-beta-Epoxy-3-alpha-tropanyl S-(-)-tropate|Hyoscine|Scopolamine|Transderm-Scop|alpha-(Hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2.4))non-7-yl ester|scopine (-)-tropate|scopolamine http://purl.obolibrary.org/obo/CHEBI_16794 3_STAR
CHEBI:16795 biolink:ChemicalSubstance L-threo-3-phenylserine A L-phenylalanine derivative carrying a hydroxy substituent at position 3. CAS:6254-48-4|HMDB:HMDB0002184|KEGG:C03290|MetaCyc:CPD-644|PDBeChem:BB8|PMID:13566053|PMID:13596376|PMID:22770225|Reaxys:3201138 phenio.json (2S,3S)-2-amino-3-hydroxy-3-phenylpropanoic acid|(betaS)-beta-hydroxy-L-phenylalanine|L-threo-3-Phenylserine|L-threo-beta-phenylserine http://purl.obolibrary.org/obo/CHEBI_16795 3_STAR
CHEBI:16796 biolink:ChemicalSubstance melatonin A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormone secreted by the pineal gland in humans. CAS:73-31-4|DrugBank:DB01065|Drug_Central:1672|HMDB:HMDB0001389|KEGG:C01598|KEGG:D08170|LINCS:LSM-4779|MetaCyc:N-ACETYL-5-METHOXY-TRYPTAMINE|PDBeChem:ML1|PMID:16678784|PMID:18212404|PMID:18485664|PMID:8290600|Reaxys:205542|Wikipedia:Melatonin phenio.json 5-methoxy-N-acetyltryptamine|Melatonin|N-Acetyl-5-methoxytryptamine|N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide|N-[2-(5-methoxyindol-3-yl)ethyl]acetamide|melatonin|melatonine http://purl.obolibrary.org/obo/CHEBI_16796 3_STAR
CHEBI:16797 biolink:ChemicalSubstance 1-methylnicotinamide A pyridinium ion comprising nicotinamide having a methyl group at the 1-position. It is a metabolite of nicotinamide which was initially considered to be biologically inactive but has emerged as an anti-thrombotic and anti-inflammatory agent. CAS:3106-60-3|Chemspider:444|FooDB:FDB022188|HMDB:HMDB0000699|KEGG:C02918|KNApSAcK:C00052106|MetaCyc:CPD-396|PDBeChem:8GC|PMID:10644906|PMID:11199218|PMID:11952169|PMID:12829005|PMID:12856834|PMID:145178|PMID:160917|PMID:16197374|PMID:17641676|PMID:17826027|PMID:18373238|PMID:18953089|PMID:19307696|PMID:22770225|PMID:22932811|PMID:25129409|PMID:25552403|PMID:26066674|PMID:26115505|PMID:28443021|PMID:28720493|PMID:33317539|PMID:33442746|PMID:33523930|PMID:6215856|PMID:6448542|Reaxys:3540351|Wikipedia:1-Methylnicotinamide phenio.json 1-Methylnicotinamide|1-methyl nicotinamide|1-methylnicotinamide|1-methylnicotinamide cation|3-(aminocarbonyl)-1-methylpyridinium|3-carbamoyl-1-methylpyridin-1-ium|3-carbamoyl-1-methylpyridinium|N(1)-Methylnicotinamide|N(1)-methylnicotinamide|N-1-methylnicotinamide|Trigonellinamide http://purl.obolibrary.org/obo/CHEBI_16797 3_STAR
CHEBI:16799 biolink:ChemicalSubstance 16alpha-hydroxy steroid A 16-hydroxy steroid in which the hydroxy group at position 16 has alpha-configuration. KEGG:C01090 phenio.json 16alpha-Hydroxysteroid|16alpha-hydroxy steroids|a 16alpha-hydroxysteroid http://purl.obolibrary.org/obo/CHEBI_16799 3_STAR
CHEBI:16802 biolink:ChemicalSubstance sedoheptulose CAS:3019-74-7|KEGG:C02076|MetaCyc:SEDOHEPTULOSE|PMID:27308197|PMID:33257730|Wikipedia:Sedoheptulose phenio.json D-Altro-2-heptulose|D-altro-hept-2-ulose|D-sedoheptulose|Sedoheptulose|Volemulose|altro-Heptulose|sedoheptulose http://purl.obolibrary.org/obo/CHEBI_16802 3_STAR
CHEBI:16803 biolink:ChemicalSubstance N-acetylanthranilate An amidobenzoate consisting of anthranilate carrying an N-acetyl group. KEGG:C06332 phenio.json 2-(acetylamino)benzoate|2-acetamidobenzoate|N-Acetylanthranilate|N-acetylanthranilate http://purl.obolibrary.org/obo/CHEBI_16803 3_STAR
CHEBI:16804 biolink:ChemicalSubstance (RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline CAS:19716-56-4|KEGG:C05201 phenio.json (R,S)-Tetrahydrobenzylisoquinoline|(RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinoline|1,2,3,4-Tetrahydro-1-(phenylmethyl)isoquinoline|1BnTIQ|rac-(1R)-1-benzyl-1,2,3,4-tetrahydroisoquinoline http://purl.obolibrary.org/obo/CHEBI_16804 3_STAR
CHEBI:16805 biolink:ChemicalSubstance [1-(5-phosphoribosyl)imidazol-4-yl]acetic acid KEGG:C04437 phenio.json 1-(5-Phosphoribosyl)imidazole-4-acetate|[1-(5-phosphoribofuranosyl)imidazol-4-yl]acetic acid http://purl.obolibrary.org/obo/CHEBI_16805 3_STAR
CHEBI:16806 biolink:ChemicalSubstance xanthine-8-carboxylate KEGG:C03314 phenio.json 2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylate|xanthine-8-carboxylate http://purl.obolibrary.org/obo/CHEBI_16806 3_STAR
CHEBI:16808 biolink:ChemicalSubstance 2-dehydro-D-gluconate A keto-D-gluconate that is the conjugate base of 2-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group. Beilstein:3907127 phenio.json 2-Dehydro-D-gluconate|2-dehydro-D-gluconate|2-ketogluconate|2-ketolactonate|D-arabino-hex-2-ulosonate http://purl.obolibrary.org/obo/CHEBI_16808 3_STAR
CHEBI:16810 biolink:ChemicalSubstance 2-oxoglutarate(2-) An oxo dicarboxylate obtained by deprotonation of both carboxy groups of 2-oxoglutaric acid. CAS:64-15-3|Gmelin:602479|KEGG:C00026|MetaCyc:2-KETOGLUTARATE|PMID:11913971|PMID:15612731|PMID:17190852|PMID:19376872|PMID:21184277|PMID:21196226|PMID:21791173|PMID:24828042|Reaxys:3664503 phenio.json 2-ketoglutarate|2-oxoglutarate|2-oxopentanedioate|2-oxopentanedioic acid, ion(2-)|alpha-ketoglutarate http://purl.obolibrary.org/obo/CHEBI_16810 3_STAR
CHEBI:16811 biolink:ChemicalSubstance methionine A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4. CAS:59-51-8|Gmelin:3117|KEGG:C01733|KEGG:D04983|PMID:16702333|PMID:22264337|PMID:2543976|Reaxys:636185|UM-BBD_compID:c0094|Wikipedia:Methionine phenio.json 2-Amino-4-(methylthio)butyric acid|2-amino-4-(methylsulfanyl)butanoic acid|2-amino-4-(methylthio)butanoic acid|DL-Methionine|Hmet|M|Met|Methionin|Methionine|Racemethionine|alpha-amino-gamma-methylmercaptobutyric acid|methionine|metionina http://purl.obolibrary.org/obo/CHEBI_16811 3_STAR
CHEBI:16812 biolink:ChemicalSubstance (S,S)-butane-2,3-diol The (S,S) diastereoisomer of butane-2,3-diol. Beilstein:1718899|CAS:19132-06-0|Gmelin:600810|KEGG:C03046 phenio.json (2S,3S)-butane-2,3-diol|(S,S)-(+)-2,3-butanediol|(S,S)-2,3-Butanediol|(S,S)-2,3-Butylene glycol|(S,S)-Butane-2,3-diol|(S,S)-butane-2,3-diol http://purl.obolibrary.org/obo/CHEBI_16812 3_STAR
CHEBI:16813 biolink:ChemicalSubstance galactitol An optically inactive hexitol having meso-configuration. CAS:608-66-2|Gmelin:83163|HMDB:HMDB0000107|KEGG:C01697|KNApSAcK:C00001160|PMID:16664750|PMID:16901854|PMID:17336832|PMID:17979222|PMID:21501963|PMID:22155165|PMID:22628202|PMID:22654107|PMID:23830453|PMID:24643482|Reaxys:1721903|Wikipedia:Galactitol phenio.json (2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexol|D-Dulcitol|D-galactitol|Dulcitol|Dulcose|Euonymit|Galactitol|L-galactitol|Melampyrin|Melampyrit|galactitol|meso-galactitol http://purl.obolibrary.org/obo/CHEBI_16813 3_STAR
CHEBI:16814 biolink:ChemicalSubstance dehydroepiandrosterone sulfate A steroid sulfate that is the 3-sulfooxy derivative of dehydroepiandrosterone. CAS:651-48-9|Drug_Central:4049|HMDB:HMDB0001032|KEGG:C04555|LIPID_MAPS_instance:LMST05020010|MetaCyc:DEHYDRO-EPIANDROSTERONE-SULFATE|PMID:15374110|PMID:18307294|PMID:20797618|PMID:22770225|PMID:9661815|Reaxys:2227078|Wikipedia:Dehydroepiandrosterone_sulfate phenio.json (3-beta)-3-(Sulfooxy)androst-5-en-17-one|17-Ketoandrost-5-en-3beta-yl sulfate|17-oxoandrost-5-en-3beta-yl hydrogen sulfate|17-oxoandrost-5-en-3beta-yl hydrogen sulphate|3-O-Sulfodehydroepiandrosterone|3beta-Hydroxyandrost-5-en-17-one 3-sulfate|3beta-hydroxyandrost-5-en-17-one 3-sulfate|Androst-5-en-17-on-3beta-yl sulfuric acid|DHEA sulfate|DHEA-S|DHEAS|Dehydroepiandrosterone 3-sulfate|Dehydroepiandrosterone monosulfate|Dehydroepiandrosterone sulfate|Dehydroepiandrosterone sulphate|Dehydroisoandrosterone sulfate|Dehydroisoandrosterone-3-sulfate|Prasterone sulfate http://purl.obolibrary.org/obo/CHEBI_16814 3_STAR
CHEBI:16815 biolink:ChemicalSubstance enol-phenylpyruvate KEGG:C02763 phenio.json 2-Hydroxy-3-phenylpropenoate|2-hydroxy-3-phenylacrylate|2-hydroxy-3-phenylprop-2-enoate|enol-Phenylpyruvate|enol-phenylpyruvate http://purl.obolibrary.org/obo/CHEBI_16815 3_STAR
CHEBI:16816 biolink:ChemicalSubstance flavonol 3-O-beta-D-glucoside Any glycosyloxyflavone that consists of a flavonol attached to a beta-D-glucosyl residue at position 3 via a glycosidic linkage. KEGG:C03946|KEGG:C15555 phenio.json Flavonol 3-O-D-glucoside|Flavonol 3-O-D-glycoside|Flavonol 3-O-beta-D-glucoside|Flavonol 3-O-beta-D-glycoside|a flavonol 3-O-beta-D-glucoside|flavonol 3-O-beta-D-glucosides http://purl.obolibrary.org/obo/CHEBI_16816 3_STAR
CHEBI:16817 biolink:ChemicalSubstance trans-4-hydroxycyclohexanecarboxylic acid KEGG:C04404 phenio.json trans-4-hydroxycyclohexanecarboxylic acid http://purl.obolibrary.org/obo/CHEBI_16817 3_STAR
CHEBI:16818 biolink:ChemicalSubstance all-trans-pentaprenyl diphosphate Beilstein:6163199|KEGG:C04217|KEGG:C16689 phenio.json (2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-yl trihydrogen diphosphate|(2E,6E,10E,14E)-geranylfarnesyl diphosphate|2-trans,6-trans,10-trans,14-trans-geranylfarnesyl diphosphate|all-trans-Pentaprenyl diphosphate|all-trans-farnesylgeranyl diphosphate|all-trans-farnesylgeranyl pyrophosphate|all-trans-geranylfarnesyl diphosphate|all-trans-geranylfarnesyl pyrophosphate|geranylfarnesyl diphosphate http://purl.obolibrary.org/obo/CHEBI_16818 3_STAR
CHEBI:16820 biolink:ChemicalSubstance N-benzoyl-D-arginine A member of the class of N-benzoyl-D-arginines that is D-arginine in which one of the hydrogens of attached to the alpha-amino group has been replaced by a benzoyl group. KEGG:C03001 phenio.json N(alpha)-benzoyl-D-arginine|N-Benzoyl-D-arginine http://purl.obolibrary.org/obo/CHEBI_16820 3_STAR
CHEBI:16821 biolink:ChemicalSubstance 4-oxo-L-proline The L-enantiomer of 4-oxoproline. CAS:2002-02-0|KEGG:C01877|PDBeChem:DPL|Reaxys:82135 phenio.json (2S)-4-oxopyrrolidine-2-carboxylic acid|4-Oxo-L-proline|4-ketoproline|4-oxo-L-proline http://purl.obolibrary.org/obo/CHEBI_16821 3_STAR
CHEBI:16822 biolink:ChemicalSubstance choline sulfate An ammonium betaine that is the conjugate base of choline hydrogen sulfate, obtained by deprotonation of the sulfate OH group. CAS:4858-96-2|KEGG:C00919|KNApSAcK:C00001530|PMID:13584416|PMID:13718099|PMID:16655967|PMID:17779079|PMID:7397169|PMID:871964|Reaxys:3905491 phenio.json 2-(trimethylammonio)ethyl sulfate|Choline sulfate|choline sulfate|choline sulfate betaine http://purl.obolibrary.org/obo/CHEBI_16822 3_STAR
CHEBI:16823 biolink:ChemicalSubstance kanamycin A 3'-phosphate Beilstein:5197199|CAS:17029-36-6|KEGG:C03281 phenio.json (1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-3-O-phosphono-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside|Kanamycin 3'-phosphate http://purl.obolibrary.org/obo/CHEBI_16823 3_STAR
CHEBI:16824 biolink:ChemicalSubstance D-fuconic acid KEGG:C01680 phenio.json 6-deoxy-D-galactonic acid http://purl.obolibrary.org/obo/CHEBI_16824 3_STAR
CHEBI:16825 biolink:ChemicalSubstance (R)-2-methylimino-1-phenylpropan-1-ol KEGG:C04351 phenio.json (1R)-2-(methylimino)-1-phenylpropan-1-ol|(R)-2-Methylimino-1-phenylpropan-1-ol|(R)-2-methylimino-1-phenylpropan-1-ol http://purl.obolibrary.org/obo/CHEBI_16825 3_STAR
CHEBI:16826 biolink:ChemicalSubstance acyl monophosphate An organic phosphate ester or anhydride formed by condensation of phosphoric acid with a carboxylic acid. KEGG:C02133 phenio.json Acyl phosphate|acyl monophosphate ester|acyl monophosphate esters|acyl monophosphates|acyl phosphates http://purl.obolibrary.org/obo/CHEBI_16826 3_STAR
CHEBI:168262 biolink:ChemicalSubstance Ganoderic acid A CAS:81907-62-2|Chemspider:413668|Chemspider:78443571 phenio.json (2R,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid|(6R)-6-[(5R,7R,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid http://purl.obolibrary.org/obo/CHEBI_168262 2_STAR
CHEBI:16827 biolink:ChemicalSubstance corticosterone A 21-hydroxy steroid that consists of pregn-4-ene substituted by hydroxy groups at positions 11 and 21 and oxo groups at positions 3 and 20. Corticosterone is a 21-carbon steroid hormone of the corticosteroid type produced in the cortex of the adrenal glands. Beilstein:2339601|CAS:50-22-6|HMDB:HMDB0001547|KEGG:C02140|LINCS:LSM-5814|LIPID_MAPS_instance:LMST02030186|MetaCyc:CORTICOSTERONE|PDBeChem:C0R|PMID:10438974|PMID:11448093|PMID:16817814|PMID:24446162|Wikipedia:Corticosterone phenio.json (11beta)-11,21-dihydroxypregn-4-ene-3,20-dione|11beta,21-Dihydroxy-4-pregnene-3,20-dione|11beta,21-dihydroxypregn-4-ene-3,20-dione|11beta,21-dihydroxyprogesterone|17-deoxycortisol|CORTICOSTERONE|Corticosterone|Kendall's compound B|Reichstein's substance H|corticosterone http://purl.obolibrary.org/obo/CHEBI_16827 3_STAR
CHEBI:16828 biolink:ChemicalSubstance L-tryptophan The L-enantiomer of tryptophan. CAS:73-22-3|DrugBank:DB00150|Drug_Central:2780|ECMDB:ECMDB00929|Gmelin:51434|HMDB:HMDB0000929|KEGG:C00078|KEGG:D00020|KNApSAcK:C00001396|MetaCyc:TRP|PDBeChem:TRP|PMID:11395471|PMID:11750787|PMID:11888576|PMID:12766158|PMID:12830226|PMID:12871129|PMID:15206750|PMID:16740930|PMID:16934873|PMID:17127472|PMID:17177562|PMID:17430113|PMID:17585690|PMID:17690425|PMID:17826001|PMID:18234569|PMID:18419734|PMID:18949702|PMID:19896323|PMID:21856896|PMID:22071091|PMID:22162421|PMID:22299628|PMID:22386992|PMID:22402312|PMID:22415302|PMID:22415306|PMID:2917974|Reaxys:86197|Wikipedia:Tryptophan|YMDB:YMDB00126 phenio.json (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid|(S)-alpha-Amino-beta-(3-indolyl)-propionic acid|(S)-alpha-amino-1H-indole-3-propanoic acid|(S)-tryptophan|L-(-)-tryptophan|L-Tryptophan|L-beta-3-indolylalanine|L-tryptophan|TRYPTOPHAN|Trp|Tryptophan|W|tryptophan http://purl.obolibrary.org/obo/CHEBI_16828 3_STAR
CHEBI:16829 biolink:ChemicalSubstance polyneuridine aldehyde FooDB:FDB031124|KEGG:C11632|KNApSAcK:C00051791|MetaCyc:POLYNEURIDINE-ALDEHYDE|PMID:20392128|PMID:29942076 phenio.json Polyneuridine aldehyde|methyl (15alpha,16R,19E)-17-oxosarpagan-16-carboxylate|polyneuridine aldehyde http://purl.obolibrary.org/obo/CHEBI_16829 3_STAR
CHEBI:16830 biolink:ChemicalSubstance methylamine The simplest of the methylamines, consisting of ammonia bearing a single methyl substituent. CAS:74-89-5|DrugBank:DB01828|Gmelin:145|HMDB:HMDB0000164|KEGG:C00218|MetaCyc:METHYLAMINE|PDBeChem:NME|PMID:11580915|PMID:11991665|PMID:18312416|Reaxys:741851|UM-BBD_compID:c0137|Wikipedia:Methylamine phenio.json CH3-NH2|METHYLAMINE|MMA|MeNH2|Methanamine|Methylamine|aminomethane|methanamine|monomethylamine http://purl.obolibrary.org/obo/CHEBI_16830 3_STAR
CHEBI:16831 biolink:ChemicalSubstance 3-hydroxy-3-methylglutaric acid A dicarboxylic acid that is glutaric acid in which one of the two hydrogens at position 3 is substituted by a hydroxy group, while the other is substituted by a methyl group. It has been found to accumulate in urine of patients suffering from HMG-CoA lyase (3-hydroxy-3-methylglutaryl-CoA lyase, EC 4.1.3.4) deficiency. It occurs as a plant metabolite in Crotalaria dura. CAS:503-49-1|DrugBank:DB04377|Drug_Central:1670|HMDB:HMDB0000355|KEGG:C03761|KEGG:D04897|KNApSAcK:C00001187|MetaCyc:CPD-547|PDBeChem:MAH|PMID:10916782|PMID:17941049|PMID:3063529|PMID:4717513|PMID:6083597|PMID:9658458|Reaxys:1769194 phenio.json (S)-3-Hydroxy-3-methylglutaric acid|(S)-Meglutol|3-HYDROXY-3-METHYL-GLUTARIC ACID|3-Hydroxy-3-methylpentanedioic acid|3-hydroxy-3-methylpentanedioic acid|Dicrotalic acid|beta-Hydroxy-beta-methylglutaric acid|beta-hydroxy-beta-methylglutaric acid|meglutol|meglutolum http://purl.obolibrary.org/obo/CHEBI_16831 3_STAR
CHEBI:16832 biolink:ChemicalSubstance kievitone A hydroxyisoflavanone that is isoflavanone with hydroxy substituents at positions 5, 7, 2' and 4' and a prenyl group at position 8. AGR:IND23253127|AGR:IND44293716|CAS:40105-60-0|HMDB:HMDB0034213|KEGG:C01590|KNApSAcK:C00002541|LIPID_MAPS_instance:LMPK12050479|MetaCyc:KIEVITONE-CPD|PMID:16665944|PMID:21133423|PMID:7794275 phenio.json 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one|Kievitone|kievitone http://purl.obolibrary.org/obo/CHEBI_16832 3_STAR
CHEBI:16834 biolink:ChemicalSubstance L-gamma-glutamyl-D-alanine Beilstein:1728786|KEGG:C03738 phenio.json L-gamma-Glutamyl-D-alanine|L-gamma-glutamyl-D-alanine|gamma-L-Glutamyl-D-alanine http://purl.obolibrary.org/obo/CHEBI_16834 3_STAR
CHEBI:16835 biolink:ChemicalSubstance 3-hexaprenyl-4-hydroxy-5-methoxybenzoic acid KEGG:C05313 phenio.json 3-Hexaprenyl-4-hydroxy-5-methoxybenzoate|3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxy-5-methoxybenzoic acid http://purl.obolibrary.org/obo/CHEBI_16835 3_STAR
CHEBI:16836 biolink:ChemicalSubstance 4-nitrophenol A member of the class of 4-nitrophenols that is phenol in which the hydrogen that is para to the hydroxy group has been replaced by a nitro group. CAS:100-02-7|DrugBank:DB04417|Gmelin:3311|HMDB:HMDB0001232|KEGG:C00870|MetaCyc:P-NITROPHENOL|PDBeChem:NPO|PMID:19365648|Reaxys:1281877|UM-BBD_compID:c0086|Wikipedia:4-Nitrophenol phenio.json 4-Hydroxynitrobenzene|4-Nitrophenol|4-nitrophenol|Niphen|P-NITROPHENOL|PNP|p-Nitrophenol|p-hydroxynitrobenzene|paranitrophenol http://purl.obolibrary.org/obo/CHEBI_16836 3_STAR
CHEBI:16837 biolink:ChemicalSubstance alpha-ribazole 5'-phosphate Beilstein:627989|CAS:975-91-7|DrugBank:DB02030|KEGG:C04778|PDBeChem:RBZ phenio.json 5,6-Dimethyl-1-alpha-D-ribofuranosylbenzimidazole 5'-phosphate|5,6-dimethyl-1-(5-O-phosphono-alpha-D-ribofuranosyl)-1H-benzimidazole|ALPHA-RIBAZOLE-5'-PHOSPHATE|N(1)-(5-phosphoribosyl)-5,6-dimethylbenzimidazole|N1-(5-Phospho-alpha-D-ribosyl)-5,6-dimethylbenzimidazole|PHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-BENZOIMIDAZOL-1-YL)-3,4-DIHYDROXY-TETRAHYDRO-FURAN-2YLMETHYL] ESTER|alpha-Ribazole 5'-phosphate|alpha-ribazole 5'-phosphate|alpha-ribazole-5'-P http://purl.obolibrary.org/obo/CHEBI_16837 3_STAR
CHEBI:16838 biolink:ChemicalSubstance polyphosphate The phosphorus oxoanion formed from polyphosphoric acid by proton loss from each of the phosphate units. The major species at pH 7.3. KEGG:C00404|MetaCyc:Polyphosphates phenio.json (Phosphate)n|(Phosphate)n+1|(Phosphate)n-1|polyphosphate http://purl.obolibrary.org/obo/CHEBI_16838 3_STAR
CHEBI:168396 biolink:ChemicalSubstance mycophenolic acid A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases. CAS:24280-93-1|DrugBank:DB01024|Drug_Central:1860|KEGG:D05096|PDBeChem:MOA|PMID:11272311|PMID:15470161|PMID:16629948|PMID:16640327|PMID:17482154|PMID:17498396|PMID:18194117|PMID:18611107|PMID:18996104|PMID:19689217|Patent:US4753935|Reaxys:318158|Wikipedia:Mycophenolic_acid phenio.json (4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid|(E)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid|Micofenolico acido|Mycophenolate|Mycophenolsaeure|acide mycophenolique|acido micofenolico|acidum mycophenolicum|mycophenolic acid http://purl.obolibrary.org/obo/CHEBI_168396 3_STAR
CHEBI:16840 biolink:ChemicalSubstance 4-CDP-2-C-methyl-D-erythritol 2-phosphate Beilstein:8528909|KEGG:C11436|KNApSAcK:C00007621|PDBeChem:SUD phenio.json 2-Phospho-4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol|4-(cytidine 5'-diphospho)-2-C-methyl-D-erythritol 2-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16840 3_STAR
CHEBI:16841 biolink:ChemicalSubstance bis(3-aminopropyl)amine Beilstein:1071254|CAS:56-18-8|FooDB:FDB028332|Gmelin:26839|HMDB:HMDB0011634|KEGG:C03375|KNApSAcK:C00053577|PMID:116684|PMID:16666576|PMID:23418450|PMID:24529384|PMID:25549879|PMID:25595767|PMID:26350146|PMID:26817804|PMID:26894404|PMID:27864804|PMID:27922663|PMID:29045455|PMID:29232652|PMID:31628357|PMID:32903416|PMID:901512|Wikipedia:Norspermidine phenio.json 1,7-diamino-4-azaheptane|3,3'-Iminobispropylamine|3,3'-azanediyldi(propanamine)|3,3'-diaminodipropylamine|3,3'-iminobis(propylamine)|3,3'-iminodi(propylamine)|3,3-diaminodipropylamine|4-aza-1,7-diaminoheptane|4-azaheptane-1,7-diamine|Bis(3-aminopropyl)amine|N(1)-(3-aminopropyl)-1,3-propanediamine|N-(3-aminopropyl)-1,3-propandiamine|N-(3-aminopropyl)-1,3-propanediamine|N-(3-aminopropyl)propane-1,3-diamine|N-3-aminopropyl-1,3-diaminopropane|bis(trimethylene)triamine|di(3-aminopropyl)amine|di(trimethylene)triamine|dipropylenetriamine|norspermidine|sym-norspermidine http://purl.obolibrary.org/obo/CHEBI_16841 3_STAR
CHEBI:16842 biolink:ChemicalSubstance formaldehyde An aldehyde resulting from the formal oxidation of methanol. CAS:50-00-0|DrugBank:DB03843|Drug_Central:3244|Gmelin:445|HMDB:HMDB0001426|KEGG:C00067|KEGG:D00017|MetaCyc:FORMALDEHYDE|PDBeChem:FOR|PMID:110589|PMID:12686735|PMID:15091529|PMID:16423181|PMID:17618393|PMID:18837732|PMID:25042713|PMID:7381846|PMID:7548723|PMID:7689168|PMID:7896413|PMID:9686972|PPDB:359|Reaxys:1209228|UM-BBD_compID:c0122|Wikipedia:Formaldehyde phenio.json FORMALDEHYDE|FORMALIN|Formaldehyd|Formaldehyde|Formalin|Methanal|Methylene oxide|Oxomethane|Oxomethylene|formaldehyde http://purl.obolibrary.org/obo/CHEBI_16842 3_STAR
CHEBI:16843 biolink:ChemicalSubstance cis-1,2-dihydro-3-ethylcatechol CAS:66008-19-3|KEGG:C06727|UM-BBD_compID:c0273 phenio.json cis-1,2-Dihydro-3-ethylcatechol|cis-1,2-dihydro-3-ethylcatechol|cis-2,3-Dihydroxy-2,3-dihydroethylbenzene|cis-2,3-dihydroxy-2,3-dihydro-ethylbenzene|cis-2,3-dihydroxy-2,3-dihydroethylbenzene|cis-3-Ethyl-cyclohexa-3,5-diene-1,2-diol|rel-(1R,2S)-3-ethylcyclohexa-3,5-diene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_16843 3_STAR
CHEBI:16844 biolink:ChemicalSubstance N(3')-acetyl-2-deoxystreptamine antibiotic KEGG:C04504 phenio.json N3'-Acetyl-2-deoxystreptamine antibiotic http://purl.obolibrary.org/obo/CHEBI_16844 3_STAR
CHEBI:16845 biolink:ChemicalSubstance (S)-2,3,4,5-tetrahydrodipicolinate(2-) KEGG:C03972 phenio.json (2S)-2,3,4,5-tetrahydropyridine-2,6-dicarboxylate|(S)-2,3,4,5-Tetrahydropyridine-2,6-dicarboxylate|(S)-2,3,4,5-tetrahydrodipicolinate|(S)-2,3,4,5-tetrahydropyridine-2,6-dicarboxylate|L-2,3,4,5-Tetrahydrodipicolinate http://purl.obolibrary.org/obo/CHEBI_16845 3_STAR
CHEBI:16846 biolink:ChemicalSubstance UDP-alpha-D-galactosamine A UDP-amino sugar having alpha-D-galactosamine as the amino-sugar component. KEGG:C02467 phenio.json UDPgalactosamine|uridine 5'-[3-(2-amino-2-deoxygalactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16846 3_STAR
CHEBI:16848 biolink:ChemicalSubstance coenzyme gamma-F420-2 The amide obtained by formal condensation of the carboxylic acid group of F420-0 with the amino group of L-gamma-glutamyl-L-glutamic acid. Beilstein:878051|CAS:64885-97-8|DrugBank:DB03913|KEGG:C00876|PDBeChem:F42|PMID:11888293|PMID:14593448|PMID:16585745|PMID:18252724 phenio.json COENZYME F420|Coenzyme F420|F420|F420-2|F4202|N-(N-{O-[1-(8-hydroxy-2,4-dioxo-2,3,4,10-tetrahydropyrimido[4,5-b]quinolin-10-yl)-1-deoxy-D-ribityl-5-phospho]-(S)-lactyl}-gamma-L-glutamyl)-L-glutamic acid|N-{N-[O-(7,8-didemethyl-8-hydroxy-5-deazariboflavin phospho)-(S)-lactyl]-gamma-L-glutamyl}-L-glutamate|coenzyme gamma-F420-2|factor F420 http://purl.obolibrary.org/obo/CHEBI_16848 3_STAR
CHEBI:16849 biolink:ChemicalSubstance D-fructuronate phenio.json D-fructuronate http://purl.obolibrary.org/obo/CHEBI_16849 3_STAR
CHEBI:16851 biolink:ChemicalSubstance 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate KEGG:C11556 phenio.json 1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3',5'-bisphosphate)|1-O-(3-sn-phosphatidyl)-1D-myo-inositol 3,5-bis(dihydrogen phosphate)|1-Phosphatidyl-1D-myo-inositol 3,5-bisphosphate|PtsIns(3,5)P2|PtsIns-3,5-P2 http://purl.obolibrary.org/obo/CHEBI_16851 3_STAR
CHEBI:16852 biolink:ChemicalSubstance L-dopaquinone An L-phenylalanine derivative in which the phenyl group of L-phenylalanine is replaced by a 3,4-dioxocyclohexa-1,5-dien-1-yl group. CAS:25520-73-4|HMDB:HMDB0001229|KEGG:C00822|MetaCyc:DOPAQUINONE|Reaxys:4182522|Wikipedia:L-Dopaquinone phenio.json (S)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoate|3-(3,4-dioxocyclohexa-1,5-dien-1-yl)-L-alanine|DOPAquinone|Dopaquinone|L-dopaquinone http://purl.obolibrary.org/obo/CHEBI_16852 3_STAR
CHEBI:16853 biolink:ChemicalSubstance tetrathionic acid CAS:13760-29-7|Gmelin:164963|KEGG:C02084|UM-BBD_compID:c0571 phenio.json 1,6-dihydrido-2,2,5,5-tetraoxido-1,6-dioxy-2,3,4,5-tetrasulfy-[6]catena|H2S4O6|Tetrathionic acid|Tetrathionsaeure|[(HO)(O)2SSSS(O)2(OH)]|tetrathionic acid http://purl.obolibrary.org/obo/CHEBI_16853 3_STAR
CHEBI:16854 biolink:ChemicalSubstance 3-fumarylpyruvate(2-) KEGG:C02514|UM-BBD_compID:c0751 phenio.json (2E)-4,6-dioxohept-2-enedioate|3-fumarylpyruvate http://purl.obolibrary.org/obo/CHEBI_16854 3_STAR
CHEBI:16855 biolink:ChemicalSubstance D-lysine The D-enantiomer of the alpha-amino acid lysine. CAS:923-27-3|DrugBank:DB03252|Gmelin:1926332|HMDB:HMDB0003405|KEGG:C00739|MetaCyc:CPD-219|PDBeChem:DLY|PMID:10571145|PMID:10930630|PMID:125972|PMID:15561717|PMID:15914930|PMID:16595662|PMID:17259313|PMID:22569959|PMID:23023754|PMID:23090865|PMID:2435906|PMID:2493343|PMID:2503300|PMID:2510957|PMID:4359655|PMID:4391118|PMID:4710063|PMID:5128165|PMID:6448848|PMID:7563967|PMID:77880|PMID:8063049|PMID:8234494|PMID:8405749|PMID:9163947|PMID:9430472|Reaxys:1722530 phenio.json (2R)-2,6-diaminohexanoic acid|(R)-2,6-diaminohexanoic acid|D-2,6-Diaminohexanoic acid|D-LYSINE|D-Lysin|D-Lysine|D-lysine|DLY http://purl.obolibrary.org/obo/CHEBI_16855 3_STAR
CHEBI:16856 biolink:ChemicalSubstance glutathione A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine. CAS:70-18-8|Chemspider:111188|DrugBank:DB00143|Drug_Central:1312|FooDB:FDB001498|HMDB:HMDB0000125|KEGG:C00051|KEGG:D00014|KNApSAcK:C00001518|MetaCyc:GLUTATHIONE|PDBeChem:GSH|PMID:10577998|PMID:1362956|PMID:14988435|PMID:16112416|PMID:16316931|PMID:16391576|PMID:16404476|PMID:16621738|PMID:16650398|PMID:16780237|PMID:16877380|PMID:17439666|PMID:19580823|PMID:4200890|PMID:4745654|PMID:8207209|Reaxys:1729812|Wikipedia:Glutathione phenio.json 5-L-Glutamyl-L-cysteinylglycine|GSH|Glutathione|Glutathione-SH|L-gamma-glutamyl-L-cysteinylglycine|N-(N-gamma-L-Glutamyl-L-cysteinyl)glycine|Reduced glutathione|gamma-L-Glutamyl-L-cysteinyl-glycine http://purl.obolibrary.org/obo/CHEBI_16856 3_STAR
CHEBI:16857 biolink:ChemicalSubstance L-threonine An optically active form of threonine having L-configuration. CAS:72-19-5|DrugBank:DB00156|Drug_Central:4254|ECMDB:ECMDB00167|Gmelin:82510|HMDB:HMDB0000167|KEGG:C00188|KEGG:D00041|KNApSAcK:C00001394|PDBeChem:THR|PMID:11964235|PMID:12523390|PMID:16659349|PMID:17379183|PMID:22289691|PMID:22342587|PMID:22513921|PMID:22770225|PMID:24671569|Reaxys:1721646|UM-BBD_compID:c0413|Wikipedia:Threonine|YMDB:YMDB00214 phenio.json (2S)-threonine|(2S,3R)-(-)-Threonine|(2S,3R)-2-amino-3-hydroxybutanoic acid|2-Amino-3-hydroxybutyric acid|L-(-)-Threonine|L-2-Amino-3-hydroxybutyric acid|L-Threonin|L-Threonine|L-alpha-amino-beta-hydroxybutyric acid|L-threonine|T|THREONINE|Thr http://purl.obolibrary.org/obo/CHEBI_16857 3_STAR
CHEBI:16858 biolink:ChemicalSubstance pantetheine 4'-phosphate CAS:2226-71-3|DrugBank:DB03912|KEGG:C01134 phenio.json 4'-Phosphopantetheine|N(3)-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(2-sulfanylethyl)-beta-alaninamide|Pantetheine 4'-phosphate|Phosphopantetheine|Psh-4'-P|pantotheine-4'-phosphate http://purl.obolibrary.org/obo/CHEBI_16858 3_STAR
CHEBI:168585 biolink:ChemicalSubstance 2-Propenyl phenylacetate CAS:1797-74-6|Chemspider:14946|HMDB:HMDB0036905 phenio.json prop-2-enyl 2-phenylacetate http://purl.obolibrary.org/obo/CHEBI_168585 2_STAR
CHEBI:16859 biolink:ChemicalSubstance oxaloacetic acid 4-methyl ester A dicarboxylic acid monoester comprising succinic acid having an oxo group at the 2-position and the methyl ester at the 4-position. CAS:13192-05-7|KEGG:C03716 phenio.json 4-methoxy-2,4-dioxobutanoic acid|Oxaloacetate 4-methyl ester http://purl.obolibrary.org/obo/CHEBI_16859 3_STAR
CHEBI:16860 biolink:ChemicalSubstance 3',4',5,7-tetrahydroxy-3-methoxyflavone A tetrahydroxyflavone having the 4-hydroxy groups located at the 3'- 4'- 5- and 7-positions as well as a methoxy group at the 2-position. CAS:1486-70-0|KEGG:C04443|KNApSAcK:C00004632|MetaCyc:3457-TETRAHYDROXY-3-METHOXYFLAVONE|PMID:16213685|PMID:22418930|PMID:23207251|PMID:9396391|Reaxys:324509 phenio.json 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one|3',4',5,7-Tetrahydroxy-3-methoxyflavone|3-Methoxy-5,7,3',4'-tetrahydroxyflavone|3-O-Methylquercetin|3-methoxy-5,7,3',4'-tetrahydroxyflavone http://purl.obolibrary.org/obo/CHEBI_16860 3_STAR
CHEBI:16861 biolink:ChemicalSubstance 7''-O-phosphohygromycin B KEGG:C03368 phenio.json (1S,2S,3R,4S,6R)-6-amino-2-[6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranosyloxy]-3-hydroxy-4-(methylamino)cyclohexyl dihydrogen phosphate|7''-O-Phosphohygromycin|7''-O-phosphohygromycin B http://purl.obolibrary.org/obo/CHEBI_16861 3_STAR
CHEBI:16862 biolink:ChemicalSubstance nucleoside 5'-diphosphate KEGG:C00454 phenio.json NDP|Nucleoside diphosphate|nucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_16862 3_STAR
CHEBI:16863 biolink:ChemicalSubstance 6-phospho-D-gluconate A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 6-phospho-D-gluconic acid. Reaxys:4517000 phenio.json 6-O-phosphono-D-gluconate http://purl.obolibrary.org/obo/CHEBI_16863 3_STAR
CHEBI:168630 biolink:ChemicalSubstance Chlorin E6 phenio.json (17S,18S)-18-(2-carboxyethyl)-20-(carboxymethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_168630 2_STAR
CHEBI:16864 biolink:ChemicalSubstance D-ribofuranosyl-ADP An ADP-aldose having ribose as the aldose fragment. KEGG:C01882 phenio.json ADP-D-ribose|adenosine 5'-[3-(D-ribofuranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16864 3_STAR
CHEBI:16865 biolink:ChemicalSubstance gamma-aminobutyric acid A gamma-amino acid that is butanoic acid with the amino substituent located at C-4. BPDB:2298|CAS:56-12-2|DrugBank:DB02530|Drug_Central:1262|Gmelin:49775|HMDB:HMDB0000112|KEGG:C00334|KEGG:D00058|KNApSAcK:C00001337|LIPID_MAPS_instance:LMFA01100039|MetaCyc:4-AMINO-BUTYRATE|PDBeChem:ABU|PMID:10630630|PMID:10930630|PMID:16276116|PMID:21614609|PMID:22770225|Reaxys:906818|Wikipedia:Gamma-Aminobutyric_acid phenio.json 4-Aminobutanoic acid|4-Aminobutyric acid|4-aminobutanoic acid|4-aminobutyric acid|4Abu|GABA|GAMMA-AMINO-BUTANOIC ACID|gamma-Aminobuttersaeure|gamma-Aminobutyric acid|gamma-amino-n-butyric acid|gamma-aminobutanoic acid|gamma-aminobutyric acid|omega-aminobutyric acid|piperidic acid|piperidinic acid http://purl.obolibrary.org/obo/CHEBI_16865 3_STAR
CHEBI:16866 biolink:ChemicalSubstance alizarin A dihydroxyanthraquinone that is anthracene-9,10-dione in which the two hydroxy groups are located at positions 1 and 2. CAS:72-48-0|Gmelin:34541|KEGG:C01474|KNApSAcK:C00002785|LINCS:LSM-25636|MetaCyc:ALIZARIN|PMID:14500876|PMID:1650428|PMID:16851024|PMID:23225693|PMID:25025314|PMID:25497981|PMID:25651191|PMID:26178874|PMID:26763935|Reaxys:1914037|Wikipedia:Alizarin phenio.json 1,2-Anthraquinonediol|1,2-Dihydroxyanthraquinone|1,2-dihydroxy-9,10-anthraquinone|1,2-dihydroxyanthra-9,10-quinone|1,2-dihydroxyanthracene-9,10-dione|Alizarin|Alizarin B|Alizarin Red|Az|C.I. 58000|Dihydroxy-9,10-anthracenedione|Dihydroxyanthraquinone|Mordant Red 11|Turkey Red|alizarin|pigment red 83 http://purl.obolibrary.org/obo/CHEBI_16866 3_STAR
CHEBI:16867 biolink:ChemicalSubstance D-methionine An optically active form of methionine having D-configuration. CAS:348-67-4|DrugBank:DB02893|ECMDB:ECMDB21203|Gmelin:26934|KEGG:C00855|MetaCyc:CPD-218|PDBeChem:MED|PMID:15375647|PMID:20431016|PMID:20872028|PMID:21480759|PMID:21750343|PMID:21924333|PMID:22192214|PMID:22304623|PMID:318639|Reaxys:1722293|YMDB:YMDB00816 phenio.json (2R)-2-amino-4-(methylsulfanyl)butanoic acid|(R)-2-amino-4-(methylthio)butanoic acid|(R)-methionine|D-2-Amino-4-(methylthio)butyric acid|D-METHIONINE|D-Methionin|D-Methionine|D-methionine|MED http://purl.obolibrary.org/obo/CHEBI_16867 3_STAR
CHEBI:16869 biolink:ChemicalSubstance oleandomycin Beilstein:74476|CAS:3922-90-5|Drug_Central:1983|KEGG:C01946|LIPID_MAPS_instance:LMPK04000007|MetaCyc:OLEANDOMYCIN phenio.json (3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-hydroxy-5,7,8,11,13,15-hexamethyl-4,10-dioxo-14-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-1,9-dioxaspiro[2.13]hexadec-12-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside|Amimycin|Landomycin|Matromycin|Oleandomycin|Romicil http://purl.obolibrary.org/obo/CHEBI_16869 3_STAR
CHEBI:168693 biolink:ChemicalSubstance Melanostatin CAS:2002-44-0|Chemspider:83871|HMDB:HMDB0005764 phenio.json (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide http://purl.obolibrary.org/obo/CHEBI_168693 2_STAR
CHEBI:16870 biolink:ChemicalSubstance choline alfoscerate A member of the class of phosphocholines that is the choline ester of sn-glycero-3-phosphate. It is one of the major osmolyte in the renal medullary cells. Beilstein:6062450|CAS:28319-77-9|DrugBank:DB04660|Drug_Central:627|HMDB:HMDB0000086|KEGG:C00670|KEGG:D07349|MetaCyc:L-1-GLYCERO-PHOSPHORYLCHOLINE|PDBeChem:CH5|PMID:21165396|PMID:21195433|PMID:22191561|PMID:22677751|PMID:22679745|PMID:22959283|PMID:23013274|PMID:23244432|PMID:23268258|PMID:23314552|PMID:23387341|PMID:23528493|PMID:24156263|PMID:24166560|PMID:6420466|Reaxys:3908444|Wikipedia:Alpha-GPC phenio.json (2R)-2,3-dihydroxypropyl 2-(trimethylammonio)ethyl phosphate|(2R)-2,3-dihydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate|2-{[(2R)-2,3-dihydroxypropoxy](hydroxy)phosphoryloxy}-N,N,N-trimethylethanaminium|Choline alphoscerate|Choline glycerophosphate|Cholini glycerophosphas|GPCho|Glicerofosfato de colina|Glycerol phosphorylcholine|Glycerol-3-phosphatidylcholine|Glycerophosphate de choline|Glycerophosphocholine|Glycerophosphorylcholine|L-Choline hydroxide 2,3-dihydroxypropyl hydrogen phosphate inner salt|L-alpha-Glycerophosphocholine|L-alpha-Glycerophosphorylcholine|alfoscerate de choline|alfoscerato de colina|alpha-Glycerophosphorylcholine|choline alfoscerate|cholini alfosceras|glycerol-3-phosphocholine|sn-3-GPC|sn-Glycero-3-phosphocholine|sn-glycero-3-phosphocholine|sn-glycerol 3-phosphocholine http://purl.obolibrary.org/obo/CHEBI_16870 3_STAR
CHEBI:16871 biolink:ChemicalSubstance 4-pyridoxolactone Beilstein:140752|CAS:4753-19-9|KEGG:C00971 phenio.json 4-Pyridoxic acid lactone|4-Pyridoxolactone|4-pyridoxic acid lactone|4-pyridoxolactone|7-hydroxy-6-methylfuro[3,4-c]pyridin-1(3H)-one http://purl.obolibrary.org/obo/CHEBI_16871 3_STAR
CHEBI:16872 biolink:ChemicalSubstance N-malonylanthranilate KEGG:C03147 phenio.json 2-[(carboxylatoacetyl)amino]benzoate|N-Malonylanthranilate|N-malonylanthranilate http://purl.obolibrary.org/obo/CHEBI_16872 3_STAR
CHEBI:168721 biolink:ChemicalSubstance Ethylene brassylate CAS:105-95-3|Chemspider:54974|HMDB:HMDB0040459 phenio.json 1,4-dioxacycloheptadecane-5,17-dione http://purl.obolibrary.org/obo/CHEBI_168721 2_STAR
CHEBI:16874 biolink:ChemicalSubstance psychosine A glycosylsphingoid consisting of sphingosine having a beta-D-galactosyl residue attached at the 1-position. CAS:2238-90-6|HMDB:HMDB0000648|KEGG:C01747|LIPID_MAPS_instance:LMSP07000001|MetaCyc:PSYCHOSINE|PMID:20209561|PMID:21259322|PMID:29351991|PMID:7542630|Reaxys:52571|Wikipedia:Psychosine phenio.json (2S,3R,4E)-2-amino-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-ene|(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl beta-D-galactopyranoside|1-O-beta-D-galactopyranosylsphingosine|1-O-beta-D-galactosylsphingosine|1-beta-D-galactosphingosine|1-beta-D-galactosylsphingosine|Galactosylsphingosine|O-Galactosylsphingosine|O-galactosylsphingosine|Psychosine|beta-psychosine|sphingosine galactoside http://purl.obolibrary.org/obo/CHEBI_16874 3_STAR
CHEBI:16875 biolink:ChemicalSubstance 5,6-dihydroxyindole-2-carboxylate phenio.json 5,6-dihydroxy-1H-indole-2-carboxylate|5,6-dihydroxyindole-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_16875 3_STAR
CHEBI:16877 biolink:ChemicalSubstance oxidized Watasenia luciferin A member of the class of pyrazines in which the pyrazine ring is substituted at positions 2, 3, and 5 by [4-(sulfooxy)phenyl]acetamido, benzyl, and 4-(sulfooxy)phenyl groups, respectively. KEGG:C03888|MetaCyc:OXIDIZED-WATASEMIA-LUCIFERIN|Reaxys:773217 phenio.json 4-(6-benzyl-5-{[4-(sulfooxy)phenyl]acetamido}pyrazin-2-yl)phenyl hydrogen sulfate|Oxidized Watasenia luciferin http://purl.obolibrary.org/obo/CHEBI_16877 3_STAR
CHEBI:16878 biolink:ChemicalSubstance N-acetyl-L-gamma-glutamyl phosphate KEGG:C04133|PDBeChem:X2W phenio.json (2S)-2-acetamido-5-oxo-5-(phosphonooxy)pentanoic acid|N-Acetyl-L-glutamate 5-phosphate|N-Acetyl-L-glutamyl 5-phosphate|N-acetyl-5-glutamyl phosphate|N-acetyl-5-oxo-5-(phosphonooxy)-L-norvaline|N-acetyl-L-glutamate 5-phosphate|N-acetyl-L-glutamyl 5-phosphate http://purl.obolibrary.org/obo/CHEBI_16878 3_STAR
CHEBI:16879 biolink:ChemicalSubstance diethyl 2-methyl-3-oxosuccinate CAS:759-65-9|KEGG:C04067 phenio.json Diethyl 2-methyl-3-oxosuccinate|Diethyl 2-methyloxosuccinate|Diethyl 3-methyl-2-oxosuccinate|Diethyl methyloxobutanedioate|Diethyl oxalpropionate|Ethyl alpha-ethoxalylpropionate|diethyl 2-methyl-3-oxobutanedioate|diethyl 2-methyl-3-oxosuccinate http://purl.obolibrary.org/obo/CHEBI_16879 3_STAR
CHEBI:16880 biolink:ChemicalSubstance L-ribulose CAS:2042-27-5|KEGG:C00508|KNApSAcK:C00019634 phenio.json L-Arabinoketose|L-Arabinulose|L-Riboketose|L-Ribulose|L-Rul|L-erythro-Pentulose|L-erythro-pent-2-ulose|L-ribulose http://purl.obolibrary.org/obo/CHEBI_16880 3_STAR
CHEBI:16881 biolink:ChemicalSubstance 1H-indole Beilstein:107693|CAS:120-72-9|DrugBank:DB04532|Gmelin:3477|KEGG:C00463|KNApSAcK:C00001418|PDBeChem:IND phenio.json 1H-indole|2,3-Benzopyrrole|INDOLE|Indol|Indole|indole http://purl.obolibrary.org/obo/CHEBI_16881 3_STAR
CHEBI:16885 biolink:ChemicalSubstance 1-kestose A trisaccharide found in vegetables consisting of beta-D-fructofuranose having beta-D-fructofuranosyl and alpha-D-glucopyranosyl residues attached at the 1- and 2-positions respectively. CAS:470-69-9|HMDB:HMDB0011729|KEGG:C03661|KEGG:G02515|MetaCyc:1-KESTOTRIOSE|PDBeChem:DQR|PMID:1663421|Reaxys:63973 phenio.json 1(F)-beta-D-fructosylsucrose|1-kestotriose|1F-beta-D-Fructosylsucrose|O-beta-D-fructofuranosyl-(2->1)-O-beta-D-fructofuranosyl-(2->1)-alpha-D-glucopyranoside|[beta-D-Fru-(2->1)]2-alpha-D-Glup|beta-D-Fru-(2->1)-beta-D-Fru-(2->1)-alpha-D-Glup|beta-D-Fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside|beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_16885 3_STAR
CHEBI:16886 biolink:ChemicalSubstance 2-aminomuconic acid The 2-amino derivative of muconic acid. CAS:4548-99-6|Chemspider:27|FooDB:FDB022507|KEGG:C02220|KNApSAcK:C00007493|PMID:14275130 phenio.json 2-Aminomuconic acid|2-amino-2,4-hexadienedioic acid|2-aminohexa-2,4-dienedioic acid|alpha-aminomuconic acid http://purl.obolibrary.org/obo/CHEBI_16886 3_STAR
CHEBI:16887 biolink:ChemicalSubstance 5-(4-hydroxybut-1-ynyl)-2,2'-bithiophene Beilstein:1285354|CAS:1137-87-7|KEGG:C04486 phenio.json 4-(2,2'-bithien-5-yl)but-3-yn-1-ol|4-(5-(2-Thienyl)-2-thienyl)-3-butyn-1-ol|5-(4-Hydroxy-but-1-ynyl)-2,2'-bithiophene|5-(4-hydroxy-but-1-ynyl)-2,2'-bithiophene http://purl.obolibrary.org/obo/CHEBI_16887 3_STAR
CHEBI:16889 biolink:ChemicalSubstance trans-3-hydroxy-L-proline The (3S)-trans-diastereomer of 3-hydroxy-L-proline. HMDB:HMDB0059659|KEGG:C05147|MetaCyc:CPD-664|PDBeChem:HY3|PMID:22770225|Reaxys:471959 phenio.json (2S,3S)-3-hydroxypyrrolidine-2-carboxylic acid|(3S)-3-hydroxy-L-proline|3-trans-hydroxy-L-proline|L-threo-3-hydroxyproline|trans-3-hydroxy-L-proline|trans-L-3-Hydroxyproline|trans-L-3-hydroxyproline http://purl.obolibrary.org/obo/CHEBI_16889 3_STAR
CHEBI:16890 biolink:ChemicalSubstance glycerol monophosphate CAS:27082-31-1|KEGG:C03189 phenio.json glycerol dihydrogen phosphate|glycerophosphoric acid|sn-Glyceryl phosphate http://purl.obolibrary.org/obo/CHEBI_16890 3_STAR
CHEBI:16891 biolink:ChemicalSubstance glyoxylic acid A 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the alpha carbon atom. CAS:298-12-4|DrugBank:DB04343|Gmelin:25752|HMDB:HMDB0000119|KEGG:C00048|KNApSAcK:C00001186|MetaCyc:GLYOX|PDBeChem:GLV|PMID:11479160|PMID:16396466|PMID:22580421|PMID:23790896|Reaxys:741891|Wikipedia:Glyoxylic_acid phenio.json GLYOXYLIC ACID|Glyoxalate|Glyoxalsaeure|Glyoxylate|Glyoxylic acid|Glyoxylsaeure|alpha-ketoacetic acid|formylformic acid|oxalaldehydic acid|oxoacetic acid|oxoethanoic acid http://purl.obolibrary.org/obo/CHEBI_16891 3_STAR
CHEBI:16892 biolink:ChemicalSubstance 4-amino-5-hydroxymethyl-2-methylpyrimidine An aminopyrimidine that is pyrimidine in which the hydrogens at positions 2, 4, and 5 are replaced by methyl, amino, and hydroxymethyl substituents, respectively. CAS:73-67-6|DrugBank:DB02022|KEGG:C01279|KNApSAcK:C00007494|MetaCyc:HMP|PDBeChem:HMH|PMID:16497163|Reaxys:126858 phenio.json (4-amino-2-methylpyrimidin-5-yl)methanol|2-methyl-4-amino-5-hydroxymethylpyrimidine|4-Amino-2-methyl-5-pyrimidinemethanol|4-Amino-5-hydroxymethyl-2-methylpyrimidine|4-amino-2-methyl-5-hydroxymethylpyrimidine|4-amino-2-methyl-5-pyrimidinemethanol|4-amino-5-hydroxymethyl-2-methylpyrimidine|Atoxopyrimidine|Pyramin|Pyramine|Toxopyrimidine http://purl.obolibrary.org/obo/CHEBI_16892 3_STAR
CHEBI:16893 biolink:ChemicalSubstance sphinganine 1-phosphate A sphingoid 1-phosphate that is the monophosphorylated derivative of sphinganine. CAS:19794-97-9|FooDB:FDB022594|HMDB:HMDB0001383|KEGG:C01120|KNApSAcK:C00007541|LIPID_MAPS_instance:LMSP01050002|PMID:16278291|PMID:16529909|PMID:17060094|PMID:18482992|PMID:19119142|PMID:20309867|PMID:22016110|PMID:23373542|PMID:2754341|PMID:27585475|PMID:30557628|PMID:32278008|PMID:33535437|PMID:7897327|PMID:8192648|PMID:9353337|Reaxys:6780476 phenio.json (2S,3R)-2-amino-3-hydroxyoctadecyl dihydrogen phosphate|DHS-1P|DHS1P|Dihydrosphingosine 1-phosphate|Sphinganine 1-phosphate|dihydrosphingosine-1-phosphate|sphinganine 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_16893 3_STAR
CHEBI:16894 biolink:ChemicalSubstance 3-sulfopyruvic acid A carboxyalkanesulfonic acid comprising pyruvic acid with a sulfo group attached at the C-3 position. Beilstein:1775450|CAS:98022-26-5|DrugBank:DB02156|KEGG:C05528|KNApSAcK:C00000764|PDBeChem:SPV phenio.json 2-carboxy-2-oxoethanesulfonic acid|2-oxo-3-sulfopropanoic acid|3-Sulfopyruvate|3-Sulfopyruvic acid|SULFOPYRUVATE|beta-sulfopyruvic acid http://purl.obolibrary.org/obo/CHEBI_16894 3_STAR
CHEBI:16897 biolink:ChemicalSubstance D-erythrose 4-phosphate(2-) Beilstein:9129751 phenio.json (2R,3R)-2,3-dihydroxy-4-oxobutyl phosphate|4-O-phosphonato-D-erythrose|D-erythrose 4-phosphate http://purl.obolibrary.org/obo/CHEBI_16897 3_STAR
CHEBI:16899 biolink:ChemicalSubstance D-mannitol The D-enantiomer of mannitol. CAS:69-65-8|DrugBank:DB00742|Drug_Central:935|Gmelin:83161|HMDB:HMDB0000765|KEGG:C00392|KEGG:D00062|KNApSAcK:C00001165|MetaCyc:MANNITOL|PDBeChem:MTL|PMID:11784135|PMID:12646037|PMID:15658873|PMID:15863337|PMID:16854081|PMID:16901854|PMID:17336832|PMID:17420133|PMID:17827020|PMID:17973471|PMID:17979222|PMID:17983214|PMID:18207412|PMID:18220330|PMID:22770225|PMID:24643482|PMID:25108762|Reaxys:1721898|Wikipedia:Mannitol phenio.json (2R,3R,4R,5R)-Hexane-1,2,3,4,5,6-hexaol|(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexaol|(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol|D-(-)-Mannitol|D-Mannitol|D-mannitol|E 421|E-421|E421|Mannitol|Osmitrol|dulcite|manna sugar|mannite|mannitol http://purl.obolibrary.org/obo/CHEBI_16899 3_STAR
CHEBI:16900 biolink:ChemicalSubstance chlorophyllide a Beilstein:5801116|CAS:14897-06-4|KEGG:C02139|KNApSAcK:C00007316 phenio.json Chlorophyllid a|Chlorophyllide a http://purl.obolibrary.org/obo/CHEBI_16900 3_STAR
CHEBI:16905 biolink:ChemicalSubstance keto-D-fructose 1,6-bisphosphate A ketohexose bisphosphate that is D-fructose substituted by phosphate groups at positions 1 and 6. CAS:488-69-7|Chemspider:76632|DrugBank:DB13863|HMDB:HMDB0001058|KEGG:C00354|KNApSAcK:C00007386|MetaCyc:FRUCTOSE-16-DIPHOSPHATE|PDBeChem:P6F|PMID:13150027|PMID:16233003|PMID:19049602|PMID:19236002|PMID:21983965|PMID:25206915|PMID:26011931|PMID:28972169|PMID:29593097|PMID:4610358|Reaxys:1729954 phenio.json 1,6-di-O-phosphono-D-fructose|D-Fructose 1,6-bisphosphate|D-fructose 1,6-bis(dihydrogen phosphate)|D-fructose-1,6-diphosphate|Harden-Young ester|fructose-1,6-diphosphate http://purl.obolibrary.org/obo/CHEBI_16905 3_STAR
CHEBI:16907 biolink:ChemicalSubstance 4-nitroquinoline N-oxide A quinoline N-oxide carrying a nitro substituent at position 4. CAS:56-57-5|KEGG:C03474|PMID:16448841|PMID:24105297|Reaxys:165756|Wikipedia:4-Nitroquinoline_1-oxide phenio.json 4-Nitroquinoline 1-oxide|4-Nitroquinoline N-oxide|4-Nitroquinoline-1-oxide|4-Nitroquinoline-N-oxide|4-nitroquinoline 1-oxide|4-nitroquinoline N-oxide|Nitrochin http://purl.obolibrary.org/obo/CHEBI_16907 3_STAR
CHEBI:16908 biolink:ChemicalSubstance NADH A coenzyme found in all living cells; consists of two nucleotides joined through their 5'-phosphate groups, with one nucleotide containing an adenine base and the other containing nicotinamide. Beilstein:79324|CAS:58-68-4|COMe:MOL000027|DrugBank:DB00157|Gmelin:544241|HMDB:HMDB0001487|KEGG:C00004|KNApSAcK:C00019343|PDBeChem:NAI|PMID:11259315|PMID:19459318|Reaxys:79324|Wikipedia:Nicotinamide_adenine_dinucleotide phenio.json 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE|DPNH|NADH|Reduced nicotinamide adenine dinucleotide|adenosine 5'-{3-[1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}|nicotinamide adenine dinucleotide (reduced) http://purl.obolibrary.org/obo/CHEBI_16908 3_STAR
CHEBI:16910 biolink:ChemicalSubstance mandelonitrile A cyanohydrin that is phenylacetonitrile in which one of the methylene hydrogens is replaced by a hydroxy group. CAS:532-28-5|Gmelin:1684586|HMDB:HMDB0034666|MetaCyc:MANDELONITRILE|PMID:25248440|PMID:25652193|PMID:26014754|PMID:26564406|PMID:26577409|Reaxys:2207122|Wikipedia:Mandelonitrile phenio.json Benzaldehyde cyanohydrin|Mandelonitrile|alpha-hydroxybenzeneacetonitrile|hydroxy(phenyl)acetonitrile|mandelic acid nitrile|mandelonitrile|phenylglycolonitrile http://purl.obolibrary.org/obo/CHEBI_16910 3_STAR
CHEBI:16912 biolink:ChemicalSubstance trans-1,2-dithiane-4,5-diol Beilstein:4125743|CAS:14193-38-5|CAS:51621-02-4|KEGG:C01119 phenio.json Oxidized dithiothreitol|rel-(4R,5R)-1,2-dithiane-4,5-diol|trans-1,2-dithiane-4,5-diol|trans-4,5-dihydroxy-1,2-dithiane http://purl.obolibrary.org/obo/CHEBI_16912 3_STAR
CHEBI:16913 biolink:ChemicalSubstance N-methylphenylethanolamine An alkaloid that is ethanolamine having the phenyl group at the 1-position and a methyl group attached to the nitrogen. It has been isolated from Halostachys caspica. CAS:68579-60-2|HMDB:HMDB0001387|KEGG:C03711|LINCS:LSM-36938|MetaCyc:N-METHYLPHENYLETHANOLAMINE|PMID:6435178|PMID:6775642|PMID:7229979|Reaxys:1072841|Wikipedia:Halostachine phenio.json (+-)-Halostachine|(+-)-alpha-((Methylamino)methyl)benzenemethanol|2-(methylamino)-1-phenylethanol|Benzyl alcohol, alpha-((methylamino)methyl)-, dl-|N-Methylphenylethanolamine http://purl.obolibrary.org/obo/CHEBI_16913 3_STAR
CHEBI:16914 biolink:ChemicalSubstance salicylic acid A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves. CAS:69-72-7|DrugBank:DB00936|Drug_Central:2416|Gmelin:3418|HMDB:HMDB0001895|KEGG:C00805|KEGG:D00097|KNApSAcK:C00000206|LINCS:LSM-4763|MetaCyc:CPD-110|PDBeChem:SAL|PMID:11016405|PMID:12865403|PMID:1650428|PMID:19400653|PMID:19816125|PMID:22770225|PMID:29079364|PMID:32807953|PMID:3425858|Reaxys:774890|Wikipedia:Salicylic_Acid phenio.json 2-HYDROXYBENZOIC ACID|2-carboxyphenol|2-hydroxybenzoic acid|Salicylic acid|o-Hydroxybenzoic acid|o-carboxyphenol|o-hydroxybenzoic acid http://purl.obolibrary.org/obo/CHEBI_16914 3_STAR
CHEBI:16916 biolink:ChemicalSubstance oligosaccharide phosphate An oligosaccharide derivative in which at least one hydroxy group has been phosphorylated. phenio.json oligosaccharide phosphates http://purl.obolibrary.org/obo/CHEBI_16916 3_STAR
CHEBI:16918 biolink:ChemicalSubstance gallate A trihydroxybenzoate that is the conjugate base of gallic acid. Gmelin:328003|KEGG:C01424|MetaCyc:CPD-183|Reaxys:3907457|UM-BBD_compID:c0006 phenio.json 3,4,5-trihydroxybenzoate http://purl.obolibrary.org/obo/CHEBI_16918 3_STAR
CHEBI:16919 biolink:ChemicalSubstance creatine A glycine derivative having methyl and amidino groups attached to the nitrogen. CAS:57-00-1|Chemspider:566|DrugBank:DB00148|Drug_Central:4661|Gmelin:240513|HMDB:HMDB0000064|KEGG:C00300|MetaCyc:CREATINE|PDBeChem:CRN|PMID:11356982|PMID:11483809|PMID:11867929|PMID:12085493|PMID:12184144|PMID:12878267|PMID:16445883|PMID:17190852|PMID:17253521|PMID:17416441|PMID:18555535|PMID:19082141|PMID:19651674|PMID:19741514|PMID:19968328|PMID:21556832|PMID:21660517|PMID:21698493|PMID:22038587|PMID:22101931|PMID:22196490|PMID:22252611|PMID:22347384|PMID:22386973|PMID:22422801|PMID:22429992|PMID:22465051|PMID:22521466|PMID:7752905|Reaxys:907175|Wikipedia:Creatine phenio.json ((amino(imino)methyl)(methyl)amino)acetic acid|(N-methylcarbamimidamido)acetic acid|(alpha-methylguanido)acetic acid|Creatin|Creatine|Kreatin|Methylglycocyamine|N-(aminoiminomethyl)-N-methylglycine|N-Methyl-N-guanylglycine|N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE|N-[amino(imino)methyl]-N-methylglycine|N-amidinosarcosine|N-carbamimidoyl-N-methylglycine|N-methyl-N-guanylglycine|alpha-Methylguanidino acetic acid http://purl.obolibrary.org/obo/CHEBI_16919 3_STAR
CHEBI:16923 biolink:ChemicalSubstance N-formyl-L-aspartate(2-) A doubly-charged N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-formyl-L-aspartic acid. PMID:3308850|PMID:5823108 phenio.json (2S)-2-(formylamino)butanedioate|N-formyl-L-aspartate http://purl.obolibrary.org/obo/CHEBI_16923 3_STAR
CHEBI:16924 biolink:ChemicalSubstance 5-oxo-D-proline The D-enantiomer of 5-oxoproline. CAS:4042-36-8|DrugBank:DB03088|Gmelin:1473408|HMDB:HMDB0000267|KEGG:C02237|MetaCyc:CPD-656|PMID:22770225|Reaxys:82133 phenio.json (2R)-5-oxopyrrolidine-2-carboxylic acid|5-Oxo-D-proline|5-oxo-D-proline|D-5-Pyrrolidone-2-carboxylic acid|D-Pyroglutamic acid http://purl.obolibrary.org/obo/CHEBI_16924 3_STAR
CHEBI:16925 biolink:ChemicalSubstance 6-phospho-5-dehydro-2-deoxy-D-gluconic acid A ketoaldonic acid phosphate comprising 5-dehydro-2-deoxy-D-gluconic acid having the phosphate group at the 6-position. KEGG:C06893|PMID:18310071 phenio.json 2-deoxy-5-keto-D-gluconic acid 6-phosphate|2-deoxy-6-O-phosphono-D-threo-hex-5-ulosonic acid|DKHP http://purl.obolibrary.org/obo/CHEBI_16925 3_STAR
CHEBI:16927 biolink:ChemicalSubstance L-saccharopine The N(6)-(1,3-dicarboxypropan-1-yl) derivative of L-lysine. CAS:997-68-2|HMDB:HMDB0000279|KEGG:C00449|KNApSAcK:C00007227|MetaCyc:SACCHAROPINE|PDBeChem:SHR|PMID:22449979|PMID:22862918|Reaxys:3063139|Wikipedia:Saccharopine phenio.json L-Saccharopine|N-[(5S)-5-amino-5-carboxypentyl]-L-glutamic acid|N-[(S)-5-Amino-5-carboxypentyl]-L-glutamic acid|N6-(L-1,3-Dicarboxypropyl)-L-lysine|Saccharopine|epsilon-N-(L-Glutar-2-yl)-L-lysine http://purl.obolibrary.org/obo/CHEBI_16927 3_STAR
CHEBI:16929 biolink:ChemicalSubstance sn-glycero-3-phosphoethanolamine KEGG:C01233 phenio.json 2-aminoethyl (2S)-2,3-dihydroxypropyl hydrogen phosphate|Glycerophosphoethanolamine|sn-glycero-3-Phosphoethanolamine http://purl.obolibrary.org/obo/CHEBI_16929 3_STAR
CHEBI:16931 biolink:ChemicalSubstance trans-cyclohexane-1,2-diol A cyclohexane-1,2-diol with trans-configuration. It is a metabolite of cyclohexene oxide and other such compounds. CAS:1460-57-7|KEGG:C03739|MetaCyc:TRANS-CYCLOHEXANE-12-DIOL|PMID:1687017|PMID:4655821|PMID:9300909|Reaxys:1901343 phenio.json rel-(1R,2R)-cyclohexane-1,2-diol|trans-1,2-Cyclohexanediol|trans-1,2-Dihydroxycyclohexane|trans-Cyclohexane-1,2-diol|trans-cyclohexane-1,2-diol http://purl.obolibrary.org/obo/CHEBI_16931 3_STAR
CHEBI:16932 biolink:ChemicalSubstance UDP-N-acetylmuramoyl-L-alanine Beilstein:8249201 phenio.json uridine 5'-(3-{2-acetylamino-3-O-[2-(L-alaninocarboxy)ethyl]-2-deoxy-D-glucopyranosyl}dihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_16932 3_STAR
CHEBI:16933 biolink:ChemicalSubstance ergosterol A phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group. Beilstein:2338604|CAS:57-87-4|DrugBank:DB04038|KEGG:C01694|KNApSAcK:C00003652|KNApSAcK:C00023755|LIPID_MAPS_instance:LMST01030093|PDBeChem:ERG|Reaxys:2338604 phenio.json (22E)-ergosta-5,7,22-trien-3beta-ol|(22E,24S)-24-methylcholesta-5,7,22-trien-3beta-ol|ERGOSTEROL|Ergosterol|Provitamin D2|ergosterol http://purl.obolibrary.org/obo/CHEBI_16933 3_STAR
CHEBI:16934 biolink:ChemicalSubstance 3-cyano-L-alanine A cyanoamino acid that is the 3-cyano-derivative of L-alanine. CAS:6232-19-5|KEGG:C02512|KNApSAcK:C00001350|MetaCyc:CPD-603|PMID:1855644|Reaxys:2410688 phenio.json 3-Cyano-L-alanine|3-cyano-L-alanine|L-3-Cyanoalanine|L-beta-Cyanoalanine http://purl.obolibrary.org/obo/CHEBI_16934 3_STAR
CHEBI:16935 biolink:ChemicalSubstance L-rhamnofuranose The furanose form of L-rhamnose. KEGG:C02431 phenio.json 6-deoxy-L-mannofuranose|L-Rhamnofuranose|L-rhamnofuranose http://purl.obolibrary.org/obo/CHEBI_16935 3_STAR
CHEBI:16937 biolink:ChemicalSubstance 5,6-dihydroxy-3-methylquinolin-2(1H)-one KEGG:C06725|UM-BBD_compID:c0073 phenio.json 5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline|5,6-dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline|5,6-dihydroxy-3-methylquinolin-2(1H)-one http://purl.obolibrary.org/obo/CHEBI_16937 3_STAR
CHEBI:16938 biolink:ChemicalSubstance 6-O-phosphono-D-glucono-1,5-lactone An aldonolactone phosphate comprising D-glucono-1,5-lactone having the phosphate group at the 6-position. Beilstein:7176900|CAS:2641-81-8|KEGG:C01236 phenio.json 6-Phospho-D-glucono-1,5-lactone|6-phosphonoglucono-delta-lactone|D-Glucono-1,5-lactone 6-phosphate|D-gluconic acid, delta-lactone, 6-(dihydrogen phosphate)|[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxooxan-2-yl]methyl dihydrogen phosphate|[(2R,3S,4S,5R)-3,4,5-trihydroxy-6-oxotetrahydro-2H-pyran-2-yl]methyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_16938 3_STAR
CHEBI:16939 biolink:ChemicalSubstance 3-amino-3-(4-hydroxyphenyl)propanoic acid A beta-amino acid comprising propionic acid having amino and 4-hydroxyphenyl groups attached at the 3-position. HMDB:HMDB0003831|KEGG:C04368|PMID:16793524|PMID:17545150|Reaxys:2097074 phenio.json 3-Amino-3-(4-hydroxyphenyl)propanoate|3-amino-3-(4-hydroxyphenyl)propanoic acid|3-amino-3-(4-hydroxyphenyl)propionic acid|beta-Tyrosine|beta-tyrosine http://purl.obolibrary.org/obo/CHEBI_16939 3_STAR
CHEBI:16941 biolink:ChemicalSubstance cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene KEGG:C06721|UM-BBD_compID:c0133 phenio.json cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene|cis-1,2-dihydroxy-1,2-dihydrodibenzothiophene|rel-(1R,2S)-1,2-dihydrodibenzo[b,d]thiophene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_16941 3_STAR
CHEBI:16942 biolink:ChemicalSubstance lipid X An N-acyl-D-glucosamine 1-phosphate where the N-acyl group is (R)-3-hydroxytetradecanoyl and carrying an additional (R)-3-hydroxytetradecanoyl group at the 3-position. Beilstein:4629355|CAS:86559-73-1|KEGG:C04824|LIPID_MAPS_instance:LMSL01020001|PDBeChem:LP5 phenio.json 2,3-Bis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl 1-phosphate|2,3-Bis[(3R)-3-hydroxymyristoyl]-alpha-D-glucosaminyl 1-phosphate|2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose|Lipid X http://purl.obolibrary.org/obo/CHEBI_16942 3_STAR
CHEBI:16943 biolink:ChemicalSubstance (R)-2,4-dihydroxy-3-oxobutanoic acid The 3-dehydro derivative of L-threonic acid. KEGG:C03064 phenio.json (2R)-2,4-dihydroxy-3-oxobutanoic acid|3-Dehydro-L-threonate|3-dehydro-L-threonate http://purl.obolibrary.org/obo/CHEBI_16943 3_STAR
CHEBI:16944 biolink:ChemicalSubstance L-2-amino-3-oxobutanoate KEGG:C03508 phenio.json (2S)-2-amino-3-oxobutanoate|L-2-Amino-3-oxobutanoate|L-2-Amino-acetoacetate http://purl.obolibrary.org/obo/CHEBI_16944 3_STAR
CHEBI:16945 biolink:ChemicalSubstance scytalone A cyclic ketone that is 3,4-dihydronaphthalen-1(2H)-one substituted by hydroxy groups at positions 3, 6, and 8. CAS:49598-85-8|KEGG:C00779|Reaxys:2050731 phenio.json 3,4-Dihydro-3,6,8-trihydoroxy-1(2H)-napthalenone|3,6,8-trihydroxy-3,4-dihydronaphthalen-1(2H)-one|Scytalone|scytalone http://purl.obolibrary.org/obo/CHEBI_16945 3_STAR
CHEBI:16946 biolink:ChemicalSubstance L-kynurenine A kynurenine that has L configuration. CAS:2922-83-0|DrugBank:DB02070|HMDB:HMDB0000684|KEGG:C00328|KNApSAcK:C00007604|MetaCyc:CPD-14736|PDBeChem:KYN|PMID:22770225|Reaxys:2942333|Wikipedia:Kynurenine phenio.json (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid|3-(2-aminobenzoyl)-L-alanine|3-Anthraniloyl-L-alanine|KYNURENINE|L-Kynurenine http://purl.obolibrary.org/obo/CHEBI_16946 3_STAR
CHEBI:16947 biolink:ChemicalSubstance citrate(3-) A tricarboxylic acid trianion, obtained by deprotonation of the three carboxy groups of citric acid. CAS:126-44-3|Gmelin:4239|KEGG:C00158|PDBeChem:FLC|Reaxys:1884707 phenio.json 2-hydroxy-1,2,3-propanetricarboxylate|2-hydroxy-1,2,3-propanetricarboxylate(3-)|2-hydroxy-1,2,3-propanetricarboxylic acid, ion(3-)|2-hydroxypropane-1,2,3-tricarboxylate|2-hydroxytricarballylate|CITRATE ANION|cit|cit(3-)|citrate http://purl.obolibrary.org/obo/CHEBI_16947 3_STAR
CHEBI:16948 biolink:ChemicalSubstance N-acetyl-D-glucosaminic acid The N-acetyl derivative of D-glucosaminic acid. CAS:29024-90-6|CAS:50257-06-2|CAS:50257-10-8|KEGG:C01133 phenio.json (3R,4S,5R)-N-acetyl-3,4,5,6-tetrahydroxynorleucine|2-acetamido-2-deoxy-D-gluconic acid http://purl.obolibrary.org/obo/CHEBI_16948 3_STAR
CHEBI:16950 biolink:ChemicalSubstance 2-dehydro-3-deoxy-L-fuconic acid KEGG:C03827 phenio.json 3,6-dideoxy-L-threo-hex-2-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_16950 3_STAR
CHEBI:16952 biolink:ChemicalSubstance 5-hydroxymethyldeoxycytidylic acid A 2'-deoxycytidine phosphate compound having the phosphate group at the 5'-position and a hydroxymethyl substituent at the 5-position. Beilstein:47896|CAS:13009-95-5|KEGG:C03997 phenio.json 2'-Deoxy-5-hydroxymethylcytidine 5'-phosphate|2'-deoxy-5-(hydroxymethyl)cytidine 5'-(dihydrogen phosphate)|5-Hmdcyt|5-Hydroxymethyldeoxycytidylate|5-Hydroxymethyldeoxycytidylic acid http://purl.obolibrary.org/obo/CHEBI_16952 3_STAR
CHEBI:16953 biolink:ChemicalSubstance N-acetyl-L-aspartate(2-) A doubly-charged N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-L-aspartic acid. Gmelin:2250815|KEGG:C01042|MetaCyc:CPD-420|PMID:12718449|PMID:14645985|PMID:15836629|PMID:16524379|PMID:17190852|PMID:18002959|PMID:18293939|PMID:18355643|PMID:18835755|PMID:19091459|PMID:19531109|PMID:19850131|PMID:20398713|PMID:20421982|PMID:4377221 phenio.json (2S)-2-acetamidobutanedioate|(S)-2-(acetylamino)succinate|N-Acetyl-L-aspartate|N-acetyl-L-aspartate http://purl.obolibrary.org/obo/CHEBI_16953 3_STAR
CHEBI:16954 biolink:ChemicalSubstance vitexin An apigenin flavone glycoside, which is found in the passion flower, bamboo leaves and pearl millet CAS:3681-93-4|KEGG:C01460|KNApSAcK:C00001110|LIPID_MAPS_instance:LMPK12110194|MetaCyc:VITEXIN|PMID:21809948|PMID:22408451|PMID:22683902|PMID:22941432|PMID:23099258|Reaxys:67796|Wikipedia:Vitexin phenio.json (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-D-glucitol|Apigenin 8-C-glucoside|Vitexin|apigenin 8-C-glucoside http://purl.obolibrary.org/obo/CHEBI_16954 3_STAR
CHEBI:16955 biolink:ChemicalSubstance GDP-4-dehydro-6-deoxy-alpha-D-mannose A GDP-sugar having 4-dehydro-6-deoxy-alpha-D-mannose as the sugar portion. CAS:18186-48-6|HMDB:HMDB0001346|KEGG:C01222|KNApSAcK:C00007244 phenio.json GDP-4-dehydro-6-deoxy-D-mannose|GDP-4-dehydro-6-deoxy-D-talose|GDP-4-dehydro-D-rhamnose|GDP-4-keto-6-deoxy-D-mannose|GDP-4-oxo-6-deoxy-D-mannose|Gdp-4-keto-6-deoxymannose|Guanosine 5'-(trihydrogen diphosphate), P'-(6-deoxy-alpha-D-lyxo-hexopyranos-4-ulos-1-yl) ester|Guanosine diphosphate-4-keto-6-deoxy-D-mannose|guanosine 5'-[3-(6-deoxy-alpha-D-lyxo-hexopyranosyl-4-ulose) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_16955 3_STAR
CHEBI:16957 biolink:ChemicalSubstance deacetoxyvindoline KEGG:C02673|Reaxys:21650527 phenio.json 16-Methoxy-2,3-dihydro-3-hydroxy-N-methyltabersonine|Deacetoxyvindoline|Desacetoxyvindoline|methyl 3beta-hydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate http://purl.obolibrary.org/obo/CHEBI_16957 3_STAR
CHEBI:169570 biolink:ChemicalSubstance N-(3E-hexadecenoyl)-deoxysphing-4-enine-1-sulfonate Chemspider:24823203|LIPID_MAPS_instance:LMSP00000003 phenio.json (E,2R,3R)-2-[[(E)-hexadec-3-enoyl]amino]-3-hydroxyoctadec-4-ene-1-sulonic acid http://purl.obolibrary.org/obo/CHEBI_169570 2_STAR
CHEBI:16958 biolink:ChemicalSubstance beta-alanine A naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position. CAS:107-95-9|DrugBank:DB03107|Gmelin:49614|HMDB:HMDB0000056|KEGG:C00099|KEGG:D07561|KNApSAcK:C00001333|MetaCyc:B-ALANINE|PDBeChem:BAL|PMID:11139233|PMID:11850512|PMID:12107759|PMID:12887142|PMID:14363188|PMID:16934791|PMID:18528519|PMID:18613640|PMID:19239140|PMID:19955842|PMID:20199122|PMID:20386120|PMID:20479615|PMID:20994958|PMID:22735334|Reaxys:906793|Wikipedia:Beta-Alanine phenio.json 3-Aminopropionic acid|3-aminopropanoic acid|BETA-ALANINE|H-beta-Ala-OH|bAla|beta-Alanine|beta-alanine|beta-aminopropionic acid|omega-aminopropionic acid http://purl.obolibrary.org/obo/CHEBI_16958 3_STAR
CHEBI:16959 biolink:ChemicalSubstance albendazole S-oxide Beilstein:677664|CAS:54029-12-8|Drug_Central:104|KEGG:C02809|KEGG:D07106 phenio.json (+-)-albendazole sulfoxide|Albendazole S-oxide|Ricobendazole|Rycobendazole|albendazole S-oxide|albendazole oxide|albendazole sulfoxide|methyl [5-(propylsulfinyl)-1H-benzimidazol-2-yl]carbamate http://purl.obolibrary.org/obo/CHEBI_16959 3_STAR
CHEBI:16960 biolink:ChemicalSubstance ADP-D-ribose A nucleotide-sugar having ADP as the nucleotide fragment and D-ribofuranos-5-yl as the sugar component. Beilstein:1236193|Beilstein:6081768|CAS:20762-30-5|KEGG:C00301 phenio.json (Rib5)ppA|5-(adenosine 5'-pyrophosphoryl)-D-ribose|A5'pp5Rib|ADP ribose|ADP-D-ribose|ADP-Rib|ADP-riboses|ADPribose|Adenosine diphosphate ribose|AdoPPRib|D-ribofuranose, 5-5'-ester with adenosine 5'-(trihydrogen pyrophosphate)|adenosine 5'-(trihydrogen diphosphate), P'-5-ester with D-ribose|adenosine 5'-[3-(D-ribofuranos-5-O-yl) dihydrogen diphosphate]|adenosine 5'-diphosphoribose|adenosine 5'-pyrophosphate, 5'-5-ester with D-ribofuranose|adenosine diphosphate ribose|ribose adenosinediphosphate http://purl.obolibrary.org/obo/CHEBI_16960 3_STAR
CHEBI:16961 biolink:ChemicalSubstance monoacylglycerol phosphate Derivatives of phosphoglycerols which have only one of the alcohol groups of the glycerol backbone ester-linked with a fatty acid. phenio.json Lysophospholipid|lysophospholipids|monoacylglycerol phosphates|monoacylglycerophosphate|monoacylglycerophosphates http://purl.obolibrary.org/obo/CHEBI_16961 3_STAR
CHEBI:16962 biolink:ChemicalSubstance cortisone A C21-steroid that is pregn-4-ene substituted by hydroxy groups at positions 17 and 21 and oxo group at positions 3, 11 and 20. CAS:53-06-5|HMDB:HMDB0002802|KEGG:C00762|KEGG:D07749|LIPID_MAPS_instance:LMST02030090|MetaCyc:CORTISONE|PMID:11710540|PMID:14874924|PMID:2268561|PMID:24391193|PMID:8989250|Reaxys:1356062|Wikipedia:Cortisone phenio.json 11-dehydro-17-hydroxycorticosterone|17,21-dihydroxypregn-4-ene-3,11,20-trione|17-hydroxy-11-dehydrocorticosterone|17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione|17alpha,21-dihydroxy-4-pregnene-3,11,20-trione|4-pregnene-17alpha,21-diol-3,11,20-trione|Cortison|Cortisone|Delta(4)-pregnene-17alpha,21-diol-3,11,20-trione|Kendall's compound E|Kortison|Reichstein's substance Fa|Wintersteiner's compound F|cortisone|pregn-4-en-17alpha,21-diol-3,11,20-trione http://purl.obolibrary.org/obo/CHEBI_16962 3_STAR
CHEBI:16964 biolink:ChemicalSubstance 5-hydroxymethyluracil A primary alcohol that is uracil bearing a hydroxymethyl substituent at the 5-position. CAS:4433-40-3|HMDB:HMDB0000469|KEGG:C03088|MetaCyc:CPD-254|PDBeChem:HMU|PMID:11275423|PMID:12361800|PMID:15649624|PMID:1807452|PMID:3904829|PMID:9639392|PMID:9671541|Reaxys:125482 phenio.json 5-(hydroxymethyl)-2,4(1H,3H)-pyrimidinedione|5-(hydroxymethyl)pyrimidine-2,4(1H,3H)-dione|5-(hydroxymethyl)uracil|5-HYDROXYMETHYL URACIL|5-Hydroxymethyluracil|5-hydroxymethyluracil http://purl.obolibrary.org/obo/CHEBI_16964 3_STAR
CHEBI:16966 biolink:ChemicalSubstance heteroglycan A polysaccharide composed of two or more different types of monosaccharides, KEGG:C01923 phenio.json Heteroglycan|Heteropolysaccharide|heteroglycans http://purl.obolibrary.org/obo/CHEBI_16966 3_STAR
CHEBI:16968 biolink:ChemicalSubstance 1,8-diazacyclotetradecane-2,9-dione KEGG:C04277 phenio.json 1,8-Diazacyclotetradecane-2,9-dione|1,8-diazacyclotetradecane-2,9-dione http://purl.obolibrary.org/obo/CHEBI_16968 3_STAR
CHEBI:16970 biolink:ChemicalSubstance UDP-N-acetylmuramoyl-L-alanyl-D-glutamic acid Beilstein:8250679|KEGG:C00692 phenio.json UDP-Mur2Ac-L-Ala-D-Glu|UDP-MurNAc-L-Ala-D-Glu|UDP-N-acetylmuramoyl-L-alanyl-D-glutamate|uridine 5'-(3-{2-acetamido-2-deoxy-3-O-[(2R)-1-{[(2S)-1-D-glutamo-1-oxopropan-2-yl]amino}-1-oxopropan-2-yl]-D-glucopyranosyl} dihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_16970 3_STAR
CHEBI:16971 biolink:ChemicalSubstance benzene-1,2,4-triol A benzenetriol carrying hydroxy groups at positions 1, 2 and 4. CAS:533-73-3|KEGG:C02814|KNApSAcK:C00031480|MetaCyc:CPD-8130|PDBeChem:HQN|PMID:21396889|PMID:24578277|PMID:24803113|UM-BBD_compID:c0264|Wikipedia:Benzene-1,2,4-triol phenio.json 1,2,4-Benzenetriol|1,2,4-Trihydroxybenzene|1,2,4-benzenetriol|Benzene-1,2,4-triol|Hydroxyhydroquinone|Hydroxyquinol|benzene-1,2,4-triol http://purl.obolibrary.org/obo/CHEBI_16971 3_STAR
CHEBI:16973 biolink:ChemicalSubstance 11-deoxycorticosterone A mineralocorticoid that is progesterone substituted at position 21 by a hydroxy group. CAS:64-85-7|Drug_Central:820|KEGG:C03205|KEGG:D07792|LIPID_MAPS_instance:LMST02030087|MetaCyc:11-DEOXYCORTICOSTERONE|PDBeChem:1CA|PMID:22770225|Reaxys:2062123|Wikipedia:Desoxycorticosterone phenio.json 11-Deoxycorticosterone|21-Hydroxy-4-pregnene-3,20-dione|21-hydroxypregn-4-ene-3,20-dione|21-hydroxyprogesterone|4-pregnen-21-ol-3,20-dione|Cortexone|DESOXYCORTICOSTERONE|DOC|Deoxycorticosterone|Desoxycortone|Kendall's desoxy compound B|Reichstein's substance Q|desoxycortone http://purl.obolibrary.org/obo/CHEBI_16973 3_STAR
CHEBI:16974 biolink:ChemicalSubstance imidazol-4-ylacetic acid A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group. CAS:645-65-8|HMDB:HMDB0002024|KEGG:C02835|MetaCyc:4-IMIDAZOLEACETATE|PMID:22770225|Reaxys:3478 phenio.json 1H-Imidazole-4-acetic acid|1H-imidazol-4-ylacetic acid|4(5)-Imidazoleacetate|4-Imidazoleacetate|Imidazole-4-acetate|Imidazoleacetic acid http://purl.obolibrary.org/obo/CHEBI_16974 3_STAR
CHEBI:16975 biolink:ChemicalSubstance 1-acyl-sn-glycerol 3-phosphate KEGG:C00681|PMID:21376640 phenio.json 1-Acyl-sn-glycerol 3-phosphate|1-acyl-sn-glycerol 3-phosphates|2-Lysophosphatidate|Lysophosphatidate|Lysophosphatidic acid|lysophosphatidic acid http://purl.obolibrary.org/obo/CHEBI_16975 3_STAR
CHEBI:16976 biolink:ChemicalSubstance hygromycin B Beilstein:6755837|CAS:31282-04-9|KEGG:C01925|PDBeChem:HYG phenio.json (1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-beta-D-talopyranoside|Antibiotic A-396-II|HYGROMYCIN B|Hygromycin B|O-6-amino-6-deoxy-L-glycero-D-galacto-heptopyranosylidene-(1->2-3)-O-beta-D-talopyranosyl-(1->5)-2-deoxy-N(3)-methyl-D-streptamine http://purl.obolibrary.org/obo/CHEBI_16976 3_STAR
CHEBI:16977 biolink:ChemicalSubstance L-alanine The L-enantiomer of alanine. CAS:56-41-7|DrugBank:DB00160|Drug_Central:4255|ECMDB:ECMDB00161|Gmelin:49628|HMDB:HMDB0000161|KEGG:C00041|KEGG:D00012|KNApSAcK:C00001332|MetaCyc:ALPHA-ALANINE|PDBeChem:ALA_LFOH|PMID:18235971|PMID:22735334|PMID:3275662|Reaxys:1720248|Wikipedia:Alanine|YMDB:YMDB00154 phenio.json (2S)-2-aminopropanoic acid|(S)-2-aminopropanoic acid|(S)-alanine|A|ALANINE|Ala|L-2-Aminopropionic acid|L-Alanin|L-Alanine|L-alanine|L-alpha-Alanine|L-alpha-alanine http://purl.obolibrary.org/obo/CHEBI_16977 3_STAR
CHEBI:16978 biolink:ChemicalSubstance leukotriene C4 A leukotriene that is (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage. CAS:72025-60-6|DrugBank:DB08855|FooDB:FDB022484|HMDB:HMDB0001198|KEGG:C02166|LIPID_MAPS_instance:LMFA03020003|MetaCyc:LEUKOTRIENE-C4|PDBeChem:LTX|PMID:10064732|PMID:11156567|PMID:12895596|PMID:15243994|PMID:15537867|PMID:1652771|PMID:2007712|PMID:20671299|PMID:2411760|PMID:24244016|PMID:2509375|PMID:2512259|PMID:2558123|PMID:2633615|PMID:26656251|PMID:27124118|PMID:28238471|PMID:28667163|PMID:31268744|PMID:3153930|PMID:33753496|PMID:3418380|PMID:3421265|PMID:6440558|PMID:7714683|PMID:8415814|PMID:8434868|PMID:8608646|PMID:8938552|PMID:8939179|PMID:9042024|PMID:9051719|PMID:9384524|PMID:9642160|Reaxys:4732117|Wikipedia:Leukotriene_C4 phenio.json (R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine|5S,6R-Ltc(sub 4)|5S-hydroxy,6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid|L-gamma-glutamyl-S-[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl]-L-cysteinylglycine|LTC (sub 4)|LTC4|Leukotriene C4 http://purl.obolibrary.org/obo/CHEBI_16978 3_STAR
CHEBI:16980 biolink:ChemicalSubstance geranial A monoterpenoid that is (2E,6E)-octa-2,6-dienal substituted by methyl groups at positions 3 and 7. CAS:141-27-5|CAS:5392-40-5|HMDB:HMDB0035078|KEGG:C01499|KNApSAcK:C00003035|LIPID_MAPS_instance:LMPR0102010003|MetaCyc:GERANIAL|PMID:23938144|PMID:24682420|Reaxys:1721873 phenio.json (2E)-3,7-dimethylocta-2,6-dienal|(2E)-geranial|(E)-Citral|(E)-Geranial|Geranial|alpha-Citral|citral A|lemonal|neral|trans-Citral http://purl.obolibrary.org/obo/CHEBI_16980 3_STAR
CHEBI:16982 biolink:ChemicalSubstance (R,R)-butane-2,3-diol The (R,R) diastereoisomer of butane-2,3-diol. Beilstein:1718901|CAS:24347-58-8|DrugBank:DB02418|Gmelin:141781|KEGG:C03044|PDBeChem:BU3 phenio.json (2R,3R)-butane-2,3-diol|(R,R)-(-)-butane-2,3-diol|(R,R)-2,3-BUTANEDIOL|(R,R)-2,3-Butanediol|(R,R)-2,3-Butylene glycol|(R,R)-Butane-2,3-diol|(R,R)-butane-2,3-diol http://purl.obolibrary.org/obo/CHEBI_16982 3_STAR
CHEBI:16984 biolink:ChemicalSubstance N-acetylimidazole CAS:2466-76-4|KEGG:C02560 phenio.json 1-Acetylimidazole|1-acetyl-1H-imidazole|Acetylimidazole|N-Acetylimidazole|N-acetylimidazole http://purl.obolibrary.org/obo/CHEBI_16984 3_STAR
CHEBI:16985 biolink:ChemicalSubstance 5beta-androstane-3,17-dione An androstane-3,17-dione with a 5beta-configuration. CAS:1229-12-5|DrugBank:DB07375|HMDB:HMDB0003769|KEGG:C03772|LIPID_MAPS_instance:LMST02020058|MetaCyc:5-BETA-ANDROSTANE-317-DIONE|PDBeChem:ANO|Reaxys:2218897 phenio.json 5beta-Androstane-3,17-dione|5beta-androstane-3,17-dione|Etiocholane-3,17-dione|Etiocholanedione http://purl.obolibrary.org/obo/CHEBI_16985 3_STAR
CHEBI:16987 biolink:ChemicalSubstance 1-piperideine-6-carboxylate A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 1-piperideine-6-carboxylic acid. phenio.json 1-piperideine-6-carboxylate|2,3,4,5-tetrahydropyridine-2-carboxylate|delta-1-Piperideine-6-carboxylate http://purl.obolibrary.org/obo/CHEBI_16987 3_STAR
CHEBI:16988 biolink:ChemicalSubstance D-ribose A ribose in which the chiral carbon atom furthest away from the aldehyde group (C4') has the same configuration as in D-glyceraldehyde. DrugBank:DB01936|PMID:24404872|PMID:24752650 phenio.json D-Rib|D-ribo-pentose|D-ribose http://purl.obolibrary.org/obo/CHEBI_16988 3_STAR
CHEBI:16989 biolink:ChemicalSubstance 2-(carboxymethyl)-5-oxo-2,5-dihydro-3-furoic acid KEGG:C04553 phenio.json 2-(carboxymethyl)-5-oxo-2,5-dihydrofuran-3-carboxylic acid|3-Carboxy-2,5-dihydro-5-oxofuran-2-acetate|4-Carboxy-2,5-dihydro-2-oxofuran-5-acetate|4-carboxy-2,5-dihydro-2-oxofuran-5-acetate http://purl.obolibrary.org/obo/CHEBI_16989 3_STAR
CHEBI:16990 biolink:ChemicalSubstance bilirubin IXalpha A member of the class of biladienes that is a linear tetrapyrrole with the dipyrrole units being of both exovinyl and endovinyl type. A product of heme degradation, it is produced in the reticuloendothelial system by the reduction of biliverdin and transported to the liver as a complex with serum albumin. CAS:635-65-4|Gmelin:411033|HMDB:HMDB0000054|KEGG:C00486|KNApSAcK:C00029828|MetaCyc:BILIRUBIN|PDBeChem:BLR|PMID:12799017|PMID:18442622|PMID:23763371|PMID:23768684|PMID:30224965|PMID:8605219|PMID:9587403|Reaxys:74376|Wikipedia:Bilirubin phenio.json 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinylbiline-8,12-dipropionic acid|2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid|2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid|3,18-diethenyl-2,7,13,17-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid|8,12-bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbiladiene-ac-1,19(21H,24H)-dione|Bilirubin|bilirubin|bilirubin(Z,Z)|bilirubin-IXalpha http://purl.obolibrary.org/obo/CHEBI_16990 3_STAR
CHEBI:16991 biolink:ChemicalSubstance deoxyribonucleic acid High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms. CAS:9007-49-2|KEGG:C00039 phenio.json (Deoxyribonucleotide)m|(Deoxyribonucleotide)n|(Deoxyribonucleotide)n+m|DNA|DNAn|DNAn+1|DNS|Deoxyribonucleic acid|Desoxyribonukleinsaeure|deoxyribonucleic acids|desoxyribose nucleic acid|thymus nucleic acid http://purl.obolibrary.org/obo/CHEBI_16991 3_STAR
CHEBI:16992 biolink:ChemicalSubstance 2-hydroxy-3-oxopropanoic acid CAS:2480-77-5|KEGG:C01146 phenio.json 2-Hydroxy-3-oxopropanoate|2-hydroxy-3-oxopropanoic acid|Tartronate semialdehyde http://purl.obolibrary.org/obo/CHEBI_16992 3_STAR
CHEBI:16993 biolink:ChemicalSubstance 2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid A 5-oxo-2-furylacetic acid having a carboxy group at the 2-position. Beilstein:1373472|CAS:13249-46-2|KEGG:C01278 phenio.json 2-(carboxymethyl)-5-oxo-2,5-dihydrofuran-2-carboxylic acid|2-Carboxy-2,5-dihydro-5-oxofuran-2-acetate|2-carboxy-2,5-dihydro-5-oxo-2-furanacetic acid|4-Carboxymuconolactone|4-carboxymuconolactone|5-Carboxy-2,5-dihydro-2-oxofuran-5-acetate|5-carboxy-2,5-dihydro-2-oxofuran-5-acetate|carboxymuconolactone|gamma-Carboxymuconolactone|gamma-carboxymuconolactone http://purl.obolibrary.org/obo/CHEBI_16993 3_STAR
CHEBI:169939 biolink:ChemicalSubstance camostat(1+) A guanidinium ion resulting from the protonation of the guanidyl group of camostat. Major microspecies at pH 7.3. phenio.json amino{4-[(4-{2-[2-(dimethylamino)-2-oxoethoxy]-2-oxoethyl}phenoxy)carbonyl]anilino}methaniminium|camostat cation http://purl.obolibrary.org/obo/CHEBI_169939 3_STAR
CHEBI:169942 biolink:ChemicalSubstance kaempferol 3-O-beta-D-glucoside(1-) MetaCyc:CPD1F-453|PMID:33770502 phenio.json kaempferol 3-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_169942 2_STAR
CHEBI:16995 biolink:ChemicalSubstance oxalic acid An alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. CAS:144-62-7|DrugBank:DB03902|Gmelin:2208|HMDB:HMDB0002329|KEGG:C00209|KNApSAcK:C00001198|LIPID_MAPS_instance:LMFA01170031|MetaCyc:OXALATE|PDBeChem:OXD|PMID:15587083|PMID:22735334|Reaxys:385686|Wikipedia:Oxalic_acid phenio.json Ethandisaeure|Ethanedioic acid|H2ox|HOOCCOOH|OXALIC ACID|Oxalic acid|Oxalsaeure|ethane-1,2-dioic acid|oxalic acid http://purl.obolibrary.org/obo/CHEBI_16995 3_STAR
CHEBI:169952 biolink:ChemicalSubstance 13-cis-retinoate PMID:12576512 phenio.json (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate|13-cis-retinoate http://purl.obolibrary.org/obo/CHEBI_169952 2_STAR
CHEBI:16996 biolink:ChemicalSubstance L-histidinol phosphate The O-phospho derivative of L-histidinol. Beilstein:792319|CAS:25679-93-0|DrugBank:DB03997|KEGG:C01100|KNApSAcK:C00007480|PDBeChem:HSA phenio.json (2S)-2-amino-3-(1H-imidazol-4-yl)propyl dihydrogen phosphate|L-Histidinol phosphate|PHOSPHORIC ACID MONO-[2-AMINO-3-(3H-IMIDAZOL-4-YL)-PROPYL]ESTER http://purl.obolibrary.org/obo/CHEBI_16996 3_STAR
CHEBI:16997 biolink:ChemicalSubstance propane-1,2-diol The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. CAS:57-55-6|DrugBank:DB01839|Drug_Central:4024|HMDB:HMDB0001881|KEGG:C00583|KEGG:D00078|KNApSAcK:C00007410|LINCS:LSM-36856|PMID:15665701|PMID:16078503|PMID:18346395|PMID:18845115|PMID:21616561|PPDB:1304|Reaxys:1340498|VSDB:1304|Wikipedia:Propylene_glycol phenio.json 1,2-Propanediol|1,2-Propylenglykol|1,2-dihydroxypropane|2-hydroxypropanol|CH3CH(OH)CH2OH|HOCH2CH(OH)CH3|HOCH2CH(OH)Me|MeCH(OH)CH2OH|PPD|Propane-1,2-diol|Propylene glycol|alpha-propyleneglycol|isopropylene glycol|methyl glycol|methylethyl glycol|methylethylene glycol|monopropylene glycol|propane-1,2-diol http://purl.obolibrary.org/obo/CHEBI_16997 3_STAR
CHEBI:169970 biolink:ChemicalSubstance 2-hydroxy-ATP(4-) A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of 2-hydroxy-ATP; major species present at pH 7.3. phenio.json 2-hydroxy-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)adenosine|2-hydroxy-ATP|2-hydroxy-ATP tetraanion|2-hydroxyadenosine 5'-triphosphate tetraanion http://purl.obolibrary.org/obo/CHEBI_169970 3_STAR
CHEBI:169971 biolink:ChemicalSubstance 2-hydroxy-AMP(2-) A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of 2-hydroxy-AMP. Major microspecies at pH 7.3. phenio.json 2-hydroxy-5'-O-phosphonatoadenosine|2-hydroxy-AMP|2-hydroxy-AMP dianion|2-hydroxyadenosine 5'-phosphate dianion http://purl.obolibrary.org/obo/CHEBI_169971 3_STAR
CHEBI:169974 biolink:ChemicalSubstance O(6)-methyl-dGTP(4-) Major microspecies at pH 7.3 PMID:30304478 phenio.json O(6)-methyl-dGTP http://purl.obolibrary.org/obo/CHEBI_169974 2_STAR
CHEBI:169975 biolink:ChemicalSubstance O(6)-methyl-dGMP(2-) Major microspecies at pH 7.3 PMID:30304478 phenio.json O(6)-methyl-dGMP http://purl.obolibrary.org/obo/CHEBI_169975 2_STAR
CHEBI:169976 biolink:ChemicalSubstance N(6)-methyl-dAMP(2-) Major microspecies at pH 7.3 phenio.json N(6)-methyl-dAMP http://purl.obolibrary.org/obo/CHEBI_169976 2_STAR
CHEBI:169979 biolink:ChemicalSubstance (+)-trans-isopiperitenol PMID:15200648 phenio.json (1R,6S)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol|(1R,6S)-isopiperitenol|(1R,6S)-p-mentha-1,8-dien-3-ol http://purl.obolibrary.org/obo/CHEBI_169979 2_STAR
CHEBI:16998 biolink:ChemicalSubstance D-phenylalanine The D-enantiomer of phenylalanine. CAS:673-06-3|DrugBank:DB02556|ECMDB:ECMDB20144|Gmelin:83219|KEGG:C02265|MetaCyc:CPD-216|PDBeChem:DPN|PMID:22382026|PMID:22397264|PMID:24464217|PMID:7114516|Reaxys:2804068|YMDB:YMDB00995 phenio.json (2R)-2-amino-3-phenylpropanoic acid|D-PHENYLALANINE|D-Phe|D-Phenylalanine|D-alpha-Amino-beta-phenylpropionic acid|D-phenylalanine|DPN|phenylalanine D-form http://purl.obolibrary.org/obo/CHEBI_16998 3_STAR
CHEBI:17000 biolink:ChemicalSubstance tropate A hydroxy monocarboxylic acid anion that results from the deprotonation of the carboxylic acid group of tropic acid. CAS:529-64-6|CAS:552-63-6|Gmelin:329096|KEGG:C01456|MetaCyc:TROPATE phenio.json 3-hydroxy-2-phenylpropanoate|tropate http://purl.obolibrary.org/obo/CHEBI_17000 3_STAR
CHEBI:170000 biolink:ChemicalSubstance dilazep(2+) A tertiary ammonium ion that is the conjugate acid of dilazep resulting from the protonation of the two amino groups of the diazepane moiety. phenio.json 1,4-bis{3-[(3,4,5-trimethoxybenzoyl)oxy]propyl}-1,4-diazepane-1,4-diium|1,4-bis{3-[(3,4,5-trimethoxybenzoyl)oxy]propyl}-1,4-diazepanediium|dilazep dication http://purl.obolibrary.org/obo/CHEBI_170000 3_STAR
CHEBI:170005 biolink:ChemicalSubstance 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine A member of the class of pyrrolopyrimidines that is 7H-pyrrolo[2,3-d]pyrimidine substituted by (1-phenylethyl)amino and 4-[(4-ethylpiperazin-1-yl)methyl]phenyl groups at positions 4 and 6, respectively. CAS:1155336-34-7 phenio.json 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine http://purl.obolibrary.org/obo/CHEBI_170005 3_STAR
CHEBI:17001 biolink:ChemicalSubstance 7,8-dihydroneopterin A neopterin where positions C-7 and C-8 have been hydrogenated. Beilstein:7096689|Beilstein:8572370|CAS:1218-98-0|DrugBank:DB04425|HMDB:HMDB0002275|KEGG:C04874|KNApSAcK:C00007312|MetaCyc:DIHYDRO-NEO-PTERIN|PDBeChem:NPR|PMID:12804528|PMID:22770225|Reaxys:2291612 phenio.json 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE|2-Amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine|2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(3H)-one|7,8-Dihydroneopterin|7,8-dihydroneopterin|Dihydroneopterin http://purl.obolibrary.org/obo/CHEBI_17001 3_STAR
CHEBI:170010 biolink:ChemicalSubstance EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitor A DNA polymerase inhibitor that interferes with the action of a RNA-directed RNA polymerase (EC 2.7.7.48). Wikipedia:RNA-dependent_RNA_polymerase phenio.json 3D polymerase inhibitor|3D polymerase inhibitors|EC 2.7.7.48 (RNA-directed RNA polymerase) inhibitors|EC 2.7.7.48 inhibitor|EC 2.7.7.48 inhibitors|PB1 proteins inhibitor|PB1 proteins inhibitors|PB2 proteins inhibitor|PB2 proteins inhibitors|Q-beta replicase inhibitor|Q-beta replicase inhibitors|RDRP inhibitor|RDRP inhibitors|RNA nucleotidyltransferase (RNA-directed) inhibitor|RNA nucleotidyltransferase (RNA-directed) inhibitors|RNA replicase inhibitor|RNA replicase inhibitors|RNA synthetase inhibitor|RNA synthetase inhibitors|RNA transcriptase inhibitor|RNA transcriptase inhibitors|RNA-dependent RNA polymerase inhibitor|RNA-dependent RNA polymerase inhibitors|RNA-dependent RNA replicase inhibitor|RNA-dependent RNA replicase inhibitors|RNA-dependent ribonucleate nucleotidyltransferase inhibitor|RNA-dependent ribonucleate nucleotidyltransferase inhibitors|RNA-directed RNA polymerase inhibitor|RNA-directed RNA polymerase inhibitors|phage f2 replicase inhibitor|phage f2 replicase inhibitors|polymerase L inhibitor|polymerase L inhibitors|ribonucleic acid replicas inhibitor|ribonucleic acid replicas inhibitors|ribonucleic acid-dependent ribonucleate nucleotidyltransferase inhibitor|ribonucleic acid-dependent ribonucleate nucleotidyltransferase inhibitors|ribonucleic acid-dependent ribonucleic acid polymeras inhibitor|ribonucleic acid-dependent ribonucleic acid polymeras inhibitors|ribonucleic replicase inhibitor|ribonucleic replicase inhibitors|ribonucleic synthetase inhibitor|ribonucleic synthetase inhibitors http://purl.obolibrary.org/obo/CHEBI_170010 3_STAR
CHEBI:17002 biolink:ChemicalSubstance cholesteryl ester A sterol ester obtained by formal condensation of the carboxy group of any carboxylic acid with the 3-hydroxy group of cholesterol. KEGG:C02530|PMID:2474544 phenio.json Cholesterol ester|a cholesterol ester|cholesterol esters|cholesteryl esters http://purl.obolibrary.org/obo/CHEBI_17002 3_STAR
CHEBI:17008 biolink:ChemicalSubstance N(2)-acyl-L-glutamine A N-acyl-L-amino acid that is L-glutamine in which one of the hydrogens attached to the alpha-amino group is replaced by an acyl group. KEGG:C02716 phenio.json http://purl.obolibrary.org/obo/CHEBI_17008 3_STAR
CHEBI:17009 biolink:ChemicalSubstance GDP-L-fucose A GDP-fucose in which the fucosyl residue has L-configuration. Chemspider:388350|FooDB:FDB021816|HMDB:HMDB0001095|KEGG:C00325|KEGG:G10615|KNApSAcK:C00007245|PMID:14686921|PMID:17111133|PMID:20035716|PMID:21538115|PMID:23774504|PMID:27588459|PMID:29050879|PMID:29186469|PMID:31134391 phenio.json GDP-L-fucose|guanosine 5'-[3-(6-deoxy-L-galactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_17009 3_STAR
CHEBI:17010 biolink:ChemicalSubstance S-inosyl-L-homocysteine L-homocysteine substituted at sulfur by a 5'-deoxyinosin-5'-yl group. Beilstein:1185800|KEGG:C03431|PDBeChem:SIB phenio.json S-(5'-deoxyinosin-5'-yl)-L-homocysteine|S-Inosyl-L-homocysteine http://purl.obolibrary.org/obo/CHEBI_17010 3_STAR
CHEBI:17011 biolink:ChemicalSubstance 5-dehydro-D-fructose A hexose obtained by selective dehydration at the 5-position of D-fructose. CAS:1684-29-3|KEGG:C00273|Reaxys:1709912 phenio.json 5-Dehydro-D-fructose|5-Ketofructose|5-dehydro-D-fructose|5-keto-D-fructose|D-threo-2,5-Hexodiulose|D-threo-hexo-2,5-diulose http://purl.obolibrary.org/obo/CHEBI_17011 3_STAR
CHEBI:17012 biolink:ChemicalSubstance N-acetylneuraminic acid An N-acylneuraminic acid where the N-acyl group is specified as acetyl. Beilstein:2951361|CAS:131-48-6|GlyGen:G81533KY|GlyTouCan:G81533KY|KEGG:C00270|KNApSAcK:C00019584|PMID:14960498|PMID:16209099|PMID:16624269|PMID:18487279|PMID:19329108|PMID:7508418|PMID:8448384|Reaxys:1398688|Wikipedia:N-acetylneuraminic_acid phenio.json 5-Acetamido-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic acid|5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid|Aceneuramic acid|N-Acetylneuraminic acid|Neu5Ac|NeuAc|O-sialic acid|WURCS=2.0/1,1,0/[Aad21122h-2x_2-6_5*NCC/3=O]/1/|aceneuramic acid|acide aceneuramique|acidium aceneuramicum|acido aceneuramico http://purl.obolibrary.org/obo/CHEBI_17012 3_STAR
CHEBI:17013 biolink:ChemicalSubstance dTMP The neutral species of thymidine 5'-monophosphate (2'-deoxythymidine 5'-monophosphate). Beilstein:47541|CAS:365-07-1|DrugBank:DB01643|HMDB:HMDB0001227|KEGG:C00364|KNApSAcK:C00019637|PDBeChem:TMPdF10|PDBeChem:TdF10|PMID:22512654|PMID:22761426|PMID:23149755|PMID:23288848|PMID:23362972|PMID:23501933|PMID:23518161|PMID:2559771|PMID:7110140|PMID:8647821|Reaxys:47541|Wikipedia:Thymidine_monophosphate phenio.json (dT)1|2'-deoxy-5-methyluridine 5'-(dihydrogen phosphate)|5'-TMP|5'-Thymidylic acid|5'-thymidylic acid|5-methyl-dUMP|THYMIDINE-5'-PHOSPHATE|TMP|Thymidine 5'-phosphate|Thymidine monophosphate|Thymidylate|Thymidylic acid|deoxyribosylthymine monophosphate|ribothymidine 5'-monophosphate|thymidine 5'-(dihydrogen phosphate)|thymidine 5'-phosphoric acid|thymidine-5'-monophosphoric acid http://purl.obolibrary.org/obo/CHEBI_17013 3_STAR
CHEBI:17015 biolink:ChemicalSubstance riboflavin D-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, eggs, malted barley, liver, kidney, heart, and leafy vegetables, but the richest natural source is yeast. The free form occurs only in the retina of the eye, in whey, and in urine; its principal forms in tissues and cells are as flavin mononucleotide and flavin-adenine dinucleotide. CAS:83-88-5|Chemspider:431981|DrugBank:DB00140|Drug_Central:2834|FooDB:FDB012160|HMDB:HMDB0000244|KEGG:C00255|KEGG:D00050|KNApSAcK:C00001552|LINCS:LSM-4084|MetaCyc:RIBOFLAVIN|PDBeChem:RBF|PMID:10566553|PMID:11399071|PMID:11606856|PMID:12083520|PMID:12354259|PMID:12927541|PMID:14963913|PMID:16273338|PMID:16460756|PMID:16658098|PMID:182198|PMID:18832377|PMID:19169240|PMID:19212411|PMID:19854891|PMID:22770225|PMID:2369885|PMID:23818044|PMID:24643482|PMID:24816110|PMID:25108762|PMID:25468971|PMID:25887755|PMID:2631092|PMID:29937405|PMID:3142982|PMID:33154451|PMID:33304888|PMID:33886098|PMID:33892358|PMID:34156642|PMID:3592624|PMID:3878498|PMID:4019261|PMID:6475825|PMID:6546833|PMID:6650303|PMID:7101408|PMID:7883462|PMID:8487103|PMID:8604671|PMID:8678471|PMID:8976642|PMID:9184778|PMID:9808225|PMID:9874201|Patent:US2807611|Patent:US2876169|Reaxys:97831|Wikipedia:Riboflavin phenio.json 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol|1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol|5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol|6,7-dimethyl-9-D-ribitylisoalloxazine|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione|7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine|7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4(3H,10H)-dione|7,8-dimethyl-10-ribitylisoalloxazine|Aqua-Flave|Beflavin|Beflavine|Bisulase|Dermadram|E101|Fiboflavin|Flavaxin|Flavin Bb|Flaxain|Hyflavin|Vitamin B2|lactoflavin|riboflavin|riboflavin (vit B2)|riboflavina|riboflavine|riboflavinum|vitamin B2|vitamin G|vitasan B2 http://purl.obolibrary.org/obo/CHEBI_17015 3_STAR
CHEBI:17016 biolink:ChemicalSubstance L-methionine S-oxide Beilstein:1723794|CAS:3226-65-1|KEGG:C02989 phenio.json (2S)-2-amino-4-(methylsulfinyl)butanoic acid|L-Methionine S-oxide|L-methionine S-oxide|L-methionine sulfoxide|methionine S-oxide http://purl.obolibrary.org/obo/CHEBI_17016 3_STAR
CHEBI:17019 biolink:ChemicalSubstance (R)-amygdalin An amygdalin in which the stereocentre on the cyanohydrin function has R-configuration. CAS:29883-15-6|HMDB:HMDB0035030|KEGG:C08325|KNApSAcK:C00001437|MetaCyc:CPD-1125|PMID:10670815|PMID:12232058|PMID:12372866|PMID:12428943|PMID:12975776|PMID:16652960|PMID:16880611|PMID:17359643|PMID:20191348|PMID:25050339|PMID:25237385|PMID:26431391|PMID:26719286|PMID:27119432|PMID:7092570|Reaxys:66856|Wikipedia:Amygdalin phenio.json (-)-D-mandelonitrile beta-D-gentiobioside|(2R)-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile|(R)-Amygdalin|(R)-Amygdaloside|(R)-Laenitrile|(R)-amygdalin|D-(-)-mandelonitrile-beta-D-gentiobioside|D-amygdalin|D-mandelonitrile-beta-D-glucosido-6-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_17019 3_STAR
CHEBI:17020 biolink:ChemicalSubstance glucomannan A heteroglycan consisting of beta-(1->4)-linked D-glucose (G) and D-mannose (M) in a proportion of 5:8. The basic polymeric repeating unit has the pattern: GGMMGMMMMMGGM, with branching through beta-(1->3)- and beta-(1->6)-glucosyl linkages. Acetate groups are present on C-6 every 9-19 units of the main chain. CAS:76081-94-2|KEGG:C01810|KEGG:C02101|KEGG:G11598|PMID:12356785|PMID:12569112|PMID:14983741|PMID:19108925|PMID:2840365|PMID:6096282|PMID:7872224|PMID:8365697|PMID:9742462|Reaxys:11315759|Reaxys:8188346 phenio.json (Glucomannan)n|(Glucomannan)n+1|Glucomannan|Glucomannoglycan http://purl.obolibrary.org/obo/CHEBI_17020 3_STAR
CHEBI:17021 biolink:ChemicalSubstance S-substituted glutathione A glutathione derivative that is glutathione in which the hydrogen of the thiol has been replaced by any other group. KEGG:C02320 phenio.json R-S-Glutathione http://purl.obolibrary.org/obo/CHEBI_17021 3_STAR
CHEBI:17023 biolink:ChemicalSubstance 2-hydroxyadipic acid An adipic acid derivative having a 2-hydroxy substituent. CAS:18294-85-4|KEGG:C02360|LIPID_MAPS_instance:LMFA01170049 phenio.json 2-Hydroxyadipate|2-Hydroxyadipic acid|2-Hydroxyhexanedioic acid|2-hydroxyhexanedioic acid http://purl.obolibrary.org/obo/CHEBI_17023 3_STAR
CHEBI:17025 biolink:ChemicalSubstance (S)-dihydroorotic acid The (S)-enantiomer of dihydroorotic acid that is an intermediate in the metabolism of pyridine. CAS:5988-19-2|Gmelin:1473795|HMDB:HMDB0003349|KEGG:C00337|KNApSAcK:C00007302|MetaCyc:DI-H-OROTATE|PDBeChem:DOR|PMID:3089167|Patent:EP0933633|Patent:EP1036319|Patent:HK1033171|Patent:RU2228932|Patent:WO9930146|Reaxys:83957 phenio.json (4S)-2,6-dioxohexahydropyrimidine-4-carboxylic acid|(S)-4,5-dihydroorotic acid|Dihydro-L-orotic acid|L-Dihydroorotic acid http://purl.obolibrary.org/obo/CHEBI_17025 3_STAR
CHEBI:17026 biolink:ChemicalSubstance progesterone A C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstrual cycle, pregnancy and embryogenesis of humans and other species. CAS:57-83-0|DrugBank:DB00396|Drug_Central:2279|Gmelin:708590|HMDB:HMDB0001830|KEGG:C00410|KEGG:D00066|MetaCyc:PROGESTERONE|PDBeChem:STR|PMID:10438974|PMID:9506942|Reaxys:1915950|Wikipedia:Progesterone phenio.json (S)-4-Pregnene-3,20-dione|(S)-Pregn-4-en-3,20-dione|(S)-Progesterone|17alpha-progesterone|4-Pregnene-3,20-dione|Agolutin|Akrolutin|Crinone|Delta(4)-pregnene-3,20-dione|Gelbkoerperhormon|PROGESTERONE|Progesteron|Progesterone|corpus luteum hormone|luteohormone|pregn-4-ene-3,20-dione|progesterone http://purl.obolibrary.org/obo/CHEBI_17026 3_STAR
CHEBI:17027 biolink:ChemicalSubstance allysine An alpha-amino acid consisting of lysine having an oxo group in place of the side-chain amino group. Beilstein:1857434|CAS:1962-83-0 phenio.json 2-Aminoadipate 6-semialdehyde|2-amino-5-formylvaleric acid|2-amino-6-oxohexanoic acid|6-oxonorleucine|Allysine|HCO-[CH2]3-CH(NH2)-COOH|allysine|alpha-aminoadipic acid delta-semialdehyde|alpha-aminoadipic delta-semialdehyde http://purl.obolibrary.org/obo/CHEBI_17027 3_STAR
CHEBI:17028 biolink:ChemicalSubstance 2-dehydro-3-deoxy-D-galactonic acid The 2-dehydro-3-deoxy derivative of D-galactonic acid. KEGG:C01216 phenio.json 2-Dehydro-3-deoxy-D-galactonate|3-deoxy-D-threo-hex-2-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_17028 3_STAR
CHEBI:17029 biolink:ChemicalSubstance chitin An aminoglycan consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. CAS:1398-61-4|KEGG:C00461|KEGG:G10483 phenio.json (1->4)-2-acetamido-2-deoxy-beta-D-glucan|Chitin|[1,4-(N-Acetyl-beta-D-glucosaminyl)]n|[4)-beta-D-GlcpNAc(1->]n|beta-1,4-Poly-N-acetyl-D-glucosamine|chitin http://purl.obolibrary.org/obo/CHEBI_17029 3_STAR
CHEBI:17030 biolink:ChemicalSubstance cycloartenol CAS:469-38-5|FooDB:FDB015503|HMDB:HMDB0036591|KEGG:C01902|KNApSAcK:C00003650|LIPID_MAPS_instance:LMST01100008|MetaCyc:CYCLOARTENOL|PMID:12519197|PMID:28710558|PMID:28952245|PMID:30610811|Wikipedia:Cycloartenol phenio.json (3beta,9beta)-9,19-cyclolanost-24-en-3-ol|9beta,19-cyclo-24-lanosten-3beta-ol|Cycloartenol|cycloartenol http://purl.obolibrary.org/obo/CHEBI_17030 3_STAR
CHEBI:17031 biolink:ChemicalSubstance chelirubine A benzophenanthridine alkaloid that is sanguinarine bearing a methoxy substituent at position 10. CAS:18203-11-7|KEGG:C06327|KNApSAcK:C00001821|KNApSAcK:C00024636|PMID:11842172|PMID:12357384|PMID:12602874|PMID:16910039|PMID:17367981|PMID:17549765|PMID:1822177|PMID:19183968|PMID:20117181|PMID:21512447|PMID:4092262|Reaxys:4161959 phenio.json 5-methoxy-13-methyl-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium|Chelirubine|chelirubine http://purl.obolibrary.org/obo/CHEBI_17031 3_STAR
CHEBI:17032 biolink:ChemicalSubstance 2-dehydro-3-deoxy-D-gluconic acid The 2-dehydro-3-deoxy derivative of D-gluconic acid. CAS:17510-99-5|KEGG:C00204|PDBeChem:KDG|Reaxys:1724592 phenio.json 2-Dehydro-3-deoxy-D-gluconate|2-Keto-3-deoxy-D-gluconate|2-dehydro-3-deoxy-D-gluconate|3-Deoxy-2-oxo-D-gluconate|3-deoxy-D-erythro-2-hexulosonic acid|3-deoxy-D-erythro-hex-2-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_17032 3_STAR
CHEBI:17033 biolink:ChemicalSubstance biliverdin A linear tetrapyrrole produced in the reticuloendothelial system by the first step of heme degradation, catalysed by heme oxygenase. CAS:114-25-0|DrugBank:DB02073|HMDB:HMDB0001008|KEGG:C00500|PDBeChem:BLA|PMID:14977878|PMID:19617398|Reaxys:74351|Wikipedia:Biliverdin phenio.json 8,12-bis(2-carboxyethyl)-2,7,13,17-tetramethyl-3,18-divinylbilin-1(19)(21H,24H)-dione|BILIVERDINE IX ALPHA|Biliverdin|Biliverdin IX alpha|Biliverdin IXalpha|Biliverdine|biliverdin http://purl.obolibrary.org/obo/CHEBI_17033 3_STAR
CHEBI:17036 biolink:ChemicalSubstance dibenzo[1,4]dioxine-2,3-dione Beilstein:1376588|CAS:6859-47-8|KEGG:C03861 phenio.json Dibenzo[1,4]dioxin-2,3-dione|Diphenylene dioxide 2,3-quinone|Diphenylenedioxide-2,3-quinone|dibenzo[1,4]dioxin-2,3-dione|dibenzo[b,e][1,4]dioxine-2,3-dione|oxanthrene-2,3-dione http://purl.obolibrary.org/obo/CHEBI_17036 3_STAR
CHEBI:17037 biolink:ChemicalSubstance (19E)-geissoschizine An indole alkaloid with formula C21H24N2O3. It is a biosynthetic precursor for a variety of monoterpenoid indole alkaloids. CAS:439-66-7|KEGG:C02151|KNApSAcK:C00051968|MetaCyc:GEISSOSCHIZINE|PMID:10822538|PMID:12683825|PMID:28467090|PMID:28754932|PMID:29147812|PMID:29511102|PMID:29575642|PMID:29942076 phenio.json (+)-geissoschizine|(16Z,19E)-17-hydroxy-16-methoxycarbonyl-16,19-didehydro-corynane|(19E)-geissoschizine|19E-geissoschizine|Corynan-16-carboxylic acid, 16,17,19,20-tetradehydro-17-hydroxy-, methyl ester, (16Z,19E)-|geissoschizine|methyl (16Z,19E)-17-hydroxycoryna-16,19-dien-16-carboxylate http://purl.obolibrary.org/obo/CHEBI_17037 3_STAR
CHEBI:17038 biolink:ChemicalSubstance fecosterol A 3beta-sterol having a 5alpha-ergostane skeleton with a methylidene group at C-24 and double bonds at the C-8 and C-24(28) positions. Beilstein:3220148|CAS:516-86-9|KEGG:C04525|KNApSAcK:C00023751|LIPID_MAPS_instance:LMST01030095|MetaCyc:FECOSTEROL|PMID:20946868|PMID:378990 phenio.json 24-Methylene-5alpha-cholest-8-en-3beta-ol|24-methylene-5alpha-cholest-8-en-3beta-ol|24-methylene-cholest-8-en-3beta-ol|24-methylidene-5alpha-cholest-8-en-3beta-ol|5alpha-ergosta-8,24(28)-dien-3beta-ol|delta-8(24),28-Ergostadienol|fecosterol http://purl.obolibrary.org/obo/CHEBI_17038 3_STAR
CHEBI:17039 biolink:ChemicalSubstance D-glucurono-6,2-lactone KEGG:C03387 phenio.json D-Glucurono-6,2-lactone|D-glucurono-6,2-lactone http://purl.obolibrary.org/obo/CHEBI_17039 3_STAR
CHEBI:17040 biolink:ChemicalSubstance (carboxymethoxy)succinic acid The carboxymethoxy derivative of succinic acid. CAS:38945-27-6|KEGG:C03600 phenio.json (Carboxymethoxy) succinic acid|2-(carboxymethoxy)butanedioic acid|Carboxymethyloxysuccinate http://purl.obolibrary.org/obo/CHEBI_17040 3_STAR
CHEBI:17041 biolink:ChemicalSubstance (S)-N-methylcoclaurine The (S)-enantiomer of N-methylcoclaurine. CAS:3423-07-2|KEGG:C05176|KNApSAcK:C00025268 phenio.json (1S)-1-(4-hydroxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol|(S)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol|(S)-1,2,3,4-tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol|(S)-N-Methylcoclaurine|(S)-N-methylcoclaurine http://purl.obolibrary.org/obo/CHEBI_17041 3_STAR
CHEBI:17043 biolink:ChemicalSubstance biphenyl-2-ol A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits. CAS:90-43-7|Drug_Central:4768|HMDB:HMDB0032582|KEGG:C02499|KEGG:D08367|PMID:14753781|PMID:23156781|PMID:23665931|PMID:24525378|PPDB:1340|Reaxys:606907|UM-BBD_compID:c0269|Wikipedia:Biphenyl-2-ol phenio.json 2-Biphenylol|2-Hydroxybiphenyl|2-Phenylphenol|Orthophenyl phenol|[1,1'-biphenyl]-2-ol|biphenyl-2-ol|o-diphenylol|o-hydroxybiphenyl|o-hydroxydiphenyl|o-phenylphenol http://purl.obolibrary.org/obo/CHEBI_17043 3_STAR
CHEBI:17044 biolink:ChemicalSubstance D-glucitol 6-phosphate The 6-O-phospho derivative of D-glucitol. Beilstein:1728363|CAS:20479-58-7|DrugBank:DB02548|KEGG:C01096 phenio.json 6-O-phosphono-D-glucitol|D-Glucitol 6-phosphate|D-Glucitol, 6-(dihydrogen phosphate)|D-Sorbitol 6-phosphate|D-glucitol 6-(dihydrogen phosphate)|Sorbitol 6-phosphate|Sorbitol-6-phosphate http://purl.obolibrary.org/obo/CHEBI_17044 3_STAR
CHEBI:17045 biolink:ChemicalSubstance dinitrogen oxide A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream. CAS:10024-97-2|Drug_Central:4238|Gmelin:2153410|KEGG:C00887|KEGG:D00102|PDBeChem:N2O|PMID:11159233|PMID:11811748|PMID:15316643|PMID:15644008|PMID:16179535|PMID:17093360|PMID:18992971|PMID:19910265|PMID:21622873|PMID:23643142|PMID:7880215|Reaxys:8137358|UM-BBD_compID:c0650|Wikipedia:Nitrous_oxide phenio.json Dinitrogen monoxide|Dinitrogen oxide|Distickstoffmonoxid|E942|Lachgas|N2O|NNO|Nitrous oxide|R-744A|Stickstoff(I)-oxid|diazyne 1-oxide|dinitrogen oxide|factitious air|gaz hilarant|laughing gas|nitrogen protoxide|nitrogenium oxydulatum|nitrous oxide|oxidodinitrogen(N--N)|oxyde nitreux|protoxyde d'azote http://purl.obolibrary.org/obo/CHEBI_17045 3_STAR
CHEBI:17048 biolink:ChemicalSubstance nororientaline An isoquinoline alkaloid consisting of a tetrahydroisoquinoline core with 4-hydroxy-3-methoxybenzyl, methoxy and hydroxy substituents at positions 1, 6 and 7 respectively; major species at pH 7.3. Beilstein:314888|KEGG:C05317 phenio.json 1-(4-hydroxy-3-methoxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol|Nororientaline http://purl.obolibrary.org/obo/CHEBI_17048 3_STAR
CHEBI:17049 biolink:ChemicalSubstance 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol A glucosaminylphosphatidylinositol compound consisting of D-glucosamine joined to 1-phosphatidyl-1D-myo-inositol via a (1->6)-alpha-linkage. KEGG:C04248|KEGG:G00144 phenio.json 6-(alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol|D-Glucosaminylphosphatidylinositol http://purl.obolibrary.org/obo/CHEBI_17049 3_STAR
CHEBI:17050 biolink:ChemicalSubstance 3-phosphoglyceric acid A monophosphoglyceric acid having the phospho group at the 3-position. It is an intermediate in metabolic pathways like glycolysis and calvin cycle. CAS:820-11-1|Chemspider:704|DrugBank:DB04510|HMDB:HMDB0000807|KEGG:C00597|KNApSAcK:C00007286|PMID:17439666|PMID:22735334|Reaxys:1726829|Wikipedia:3-Phosphoglyceric_acid phenio.json 2-hydroxy-3-(phosphonooxy)propanoic acid|3-(dihydrogen phosphate)Glycerate|3-(dihydrogen phosphate)Glyceric acid|3-Phosphoglycerate|DL-Glycerate 3-phosphate|Glycerate 3-phosphate|Glyceric acid 3-phosphate|glycerate 3-phosphates http://purl.obolibrary.org/obo/CHEBI_17050 3_STAR
CHEBI:17051 biolink:ChemicalSubstance fluoride CAS:16984-48-8|Gmelin:14905|KEGG:C00742|PDBeChem:F phenio.json F(-)|F-|FLUORIDE ION|Fluoride|Fluoride ion|Fluorine anion|fluoride|fluoride(1-) http://purl.obolibrary.org/obo/CHEBI_17051 3_STAR
CHEBI:17052 biolink:ChemicalSubstance 3-phosphoshikimic acid DrugBank:DB04328|KEGG:C03175|KNApSAcK:C00000002|PDBeChem:S3P phenio.json Shikimate 3-phosphate|Shikimate 5-phosphate|rel-(3R,4S,5R)-4,5-dihydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_17052 3_STAR
CHEBI:17053 biolink:ChemicalSubstance L-aspartic acid The L-enantiomer of aspartic acid. CAS:56-84-8|DrugBank:DB00128|Drug_Central:1550|ECMDB:ECMDB00191|Gmelin:3333|HMDB:HMDB0000191|KEGG:C00049|KEGG:D00013|KNApSAcK:C00001342|MetaCyc:L-ASPARTATE|PDBeChem:ASP|PMID:11568288|PMID:21359215|PMID:22770225|Reaxys:1723530|YMDB:YMDB00896 phenio.json (2S)-2-aminobutanedioic acid|(S)-2-aminobutanedioic acid|(S)-2-aminosuccinic acid|2-Aminosuccinic acid|ASPARTIC ACID|Asp|D|L-Asparaginsaeure|L-Aspartic acid|L-aspartic acid http://purl.obolibrary.org/obo/CHEBI_17053 3_STAR
CHEBI:17056 biolink:ChemicalSubstance 1-carboxyvinyl carboxyphosphonate An organic phosphonate having O-1-carboxyvinyl and C-carboxy substituents. KEGG:C06367|KNApSAcK:C00000783 phenio.json 1-Carboxyvinyl carboxyphosphonate|1-carboxyethenyl hydrogen carboxyphosphonate|Carboxyphosphonoenolpyruvate http://purl.obolibrary.org/obo/CHEBI_17056 3_STAR
CHEBI:17057 biolink:ChemicalSubstance cellobiose A glycosylglucose consisting of two glucose units linked via a beta(1->4) bond. Beilstein:1292744|CAS:528-50-7|DrugBank:DB02061|KEGG:C00185|KNApSAcK:C00001134|PMID:19669625|PMID:19968554|Wikipedia:Cellobiose phenio.json 1-beta-D-Glucopyranosyl-4-D-glucopyranose|4-(beta-D-glucosido)-D-glucose|4-O-beta-D-glucopyranosyl-D-glucopyranose|4-beta-D-glucopyranosyl-D-glucopyranose|Cellobiose|D-(+)-cellobiose|D-celiobiose|D-cellobiose|D-glucosyl-beta-(1-4)-D-glucose|beta-D-glucopyranosyl-(1->4)-D-glucopyranose|cellose http://purl.obolibrary.org/obo/CHEBI_17057 3_STAR
CHEBI:17058 biolink:ChemicalSubstance 3-dehydroecdysone CAS:39750-00-0|KEGG:C02513 phenio.json (22R)-2beta,14,22,25-tetrahydroxy-5beta-cholest-7-ene-3,6-dione|(2beta,5beta,22R)-2,14,22,25-tetrahydroxy-cholest-7-ene-3,6-dione|3-Dehydroecdysone|3-dehydroecdysone http://purl.obolibrary.org/obo/CHEBI_17058 3_STAR
CHEBI:17059 biolink:ChemicalSubstance 2-methylcholine Beilstein:1738004|CAS:7562-87-0|Gmelin:362803|KEGG:C02224 phenio.json 2-Methylcholine|2-hydroxy-N,N,N-trimethylpropanaminium|2-methylcholine|beta-Methylcholine|beta-methylcholine http://purl.obolibrary.org/obo/CHEBI_17059 3_STAR
CHEBI:17061 biolink:ChemicalSubstance D-glutamine The D-enantiomer of glutamine. CAS:5959-95-5|DrugBank:DB02174|ECMDB:ECMDB03423|Gmelin:1318700|HMDB:HMDB0003423|KEGG:C00819|MetaCyc:GLUTAMIDE|PDBeChem:DGN|PMID:21048866|PMID:21182880|PMID:22291598|PMID:3697715|PMID:7197365|Patent:WO2011109119|Reaxys:1723796|YMDB:YMDB00990 phenio.json (2R)-2,5-diamino-5-oxopentanoic acid|(2R)-2-amino-4-carbamoylbutanoic acid|(R)-2,5-diamino-5-oxopentanoic acid|D-2-Aminoglutaramic acid|D-Glutamin|D-Glutamine|D-Glutaminsaeure-5-amid|D-glutamine|DGN http://purl.obolibrary.org/obo/CHEBI_17061 3_STAR
CHEBI:17062 biolink:ChemicalSubstance primary aliphatic amine KEGG:C00375 phenio.json RCH2NH2|primary aliphatic amines http://purl.obolibrary.org/obo/CHEBI_17062 3_STAR
CHEBI:17063 biolink:ChemicalSubstance L-erythrulose 1-phosphate The L-enantiomer of erythrulose 1-phosphate. Beilstein:1711143|CAS:16409-92-0|KEGG:C03394 phenio.json (3S)-3,4-dihydroxy-2-oxobutyl dihydrogen phosphate|(S)-3,4-dihydroxy-1-(phosphonooxy)-2-butanone|Erythrulose 1-phosphate|L-erythrulose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17063 3_STAR
CHEBI:17064 biolink:ChemicalSubstance 4-nitroaniline A nitroaniline carrying a nitro group at position 4. CAS:100-01-6|Gmelin:27331|KEGG:C02126|MetaCyc:4-NITROANILINE|PDBeChem:NIT|PMID:23090935|PMID:24116023|Reaxys:508690|Wikipedia:4-Nitroaniline phenio.json 1-amino-4-nitrobenzene|4-NITROANILINE|4-Nitroaniline|4-Nitrobenzeneamine|4-nitraniline|4-nitroaniline|p-Nitroaniline|p-aminonitrobenzene|p-nitraniline|p-nitrophenylamine http://purl.obolibrary.org/obo/CHEBI_17064 3_STAR
CHEBI:17065 biolink:ChemicalSubstance 3',5'-cyclic CMP A 3',5'-cyclic pyrimidine nucleotide having cytosine as the nucleobase. CAS:3616-08-8|KEGG:C00941|PDBeChem:CC7|PMID:25017019|PMID:25062586|Reaxys:625833|YMDB:YMDB00455 phenio.json 3',5'-Cyclic CMP|Cyclic cmp|Cytidine 3',5'-cyclic monophosphate|Cytidine, cyclic 3',5'-(hydrogen phosphate)|cCMP|cytidine 3',5'-(hydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17065 3_STAR
CHEBI:17066 biolink:ChemicalSubstance (R)-3-hydroxybutyric acid The R-enantiomer of 3-hydroxybutyric acid. Involved in the synthesis and degradation of ketone bodies, it can be used as an energy source by the brain during hypoglycaemia, and for the synthesis of biodegradable plastics. It is a sex pheremone in the European spider Linyphia triangularis. CAS:625-72-9|HMDB:HMDB0000011|KEGG:C01089|LIPID_MAPS_instance:LMFA01050243|MetaCyc:CPD-335|PMID:17810206|PMID:19304817|PMID:20699574|PMID:3679704|Patent:WO9312254|Reaxys:1720568 phenio.json (3R)-3-hydroxybutanoic acid|(R)-(-)-beta-hydroxybutyric acid|(R)-3-Hydroxybutanoic acid|(R)-3-Hydroxybutyric acid|3-D-hydroxybutyric acid|D-3-hydroxybutyric acid http://purl.obolibrary.org/obo/CHEBI_17066 3_STAR
CHEBI:17069 biolink:ChemicalSubstance 3-hydroxybenzyl alcohol A hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group. CAS:620-24-6|KEGG:C03351|KNApSAcK:C00000776|PMID:22770225|Reaxys:2041500|UM-BBD_compID:c0054 phenio.json 3-(hydroxymethyl)phenol|3-Hydroxybenzenemethanol|3-Hydroxybenzyl alcohol|3-hydroxybenzyl alcohol http://purl.obolibrary.org/obo/CHEBI_17069 3_STAR
CHEBI:17071 biolink:ChemicalSubstance glycolaldehyde The glycolaldehyde derived from ethylene glycol. The parent of the class of glycolaldehydes. CAS:141-46-8|ECMDB:ECMDB02165|FooDB:FDB030893|HMDB:HMDB0003344|KEGG:C00266|KNApSAcK:C00007457|MetaCyc:GLYCOLALDEHYDE|PDBeChem:DW3|PMID:20960220|PMID:21378371|PMID:21472960|PMID:21820089|PMID:23543734|PMID:29400466|PMID:35348319|PMID:35624799|Reaxys:506029|Wikipedia:Glycolaldehyde|YMDB:YMDB00343 phenio.json GLYCOALDEHYDE|Glycolaldehyde|Glycolic aldehyde|Hydroxyacetaldehyde|Methylol formaldehyde|Monomethylolformaldehyde|glycolaldehyde|glycollaldehyde|hydroxyacetaldehyde http://purl.obolibrary.org/obo/CHEBI_17071 3_STAR
CHEBI:17072 biolink:ChemicalSubstance N-amidino-L-aspartic acid An aspartic acid derivative comprising L-aspartic acid carrying an N-amidino substituent. CAS:6133-30-8|KEGG:C03139|Reaxys:1726856 phenio.json (2S)-2-carbamimidamidobutanedioic acid|Guanidinosuccinic acid|L-N-amidinoaspartic acid|N-(aminoiminomethyl)-L-aspartic acid|N-Amidino-L-aspartic acid|N-carbamimidoyl-L-aspartic acid http://purl.obolibrary.org/obo/CHEBI_17072 3_STAR
CHEBI:17073 biolink:ChemicalSubstance Cypridina luciferin CAS:7273-34-9|KEGG:C02825 phenio.json 1-(3-{2-[(2S)-butan-2-yl]-6-(1H-indol-3-yl)-3-oxo-3,7-dihydroimidazo[1,2-a]pyrazin-8-yl}propyl)guanidine|Cypridina luciferin|[3-[3,7-dihydro-6-(1H-indol-3-yl)-2-[(S)-1-methyl-6-propyl]-3-oxoimidazo[1,2-a]pyrazin-8-yl]propyl]guanidine|cypridinluciferin http://purl.obolibrary.org/obo/CHEBI_17073 3_STAR
CHEBI:17074 biolink:ChemicalSubstance cycasin CAS:14901-08-7|KEGG:C01418|KNApSAcK:C00001535 phenio.json (methyl-ONN-azoxy)methyl beta-D-glucopyranoside|Cycasin|Methylazoxymethanol glucoside|Methylazoxymethyl-b-D-glucopyranoside|beta-D-Glucosyloxyazoxymethane|cycasin http://purl.obolibrary.org/obo/CHEBI_17074 3_STAR
CHEBI:17076 biolink:ChemicalSubstance streptomycin A amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class CAS:57-92-1|DrugBank:DB01082|Drug_Central:2481|HMDB:HMDB0015214|KEGG:C00413|KEGG:D08531|MetaCyc:STREPTOMYCIN|PDBeChem:SRY|PMID:11228320|PMID:11905029|PMID:12118520|PMID:13030054|PMID:13116094|PMID:13136149|PMID:13596285|PMID:13691614|PMID:13985260|PMID:13990247|PMID:14623118|PMID:14828344|PMID:14852338|PMID:14939639|PMID:15081082|PMID:15137533|PMID:15207172|PMID:15686853|PMID:15736038|PMID:16904706|PMID:17105735|PMID:17238915|PMID:17429930|PMID:18173084|PMID:18916143|PMID:19052412|PMID:19335957|PMID:21350946|PMID:21362244|PMID:21593257|PMID:21937264|PMID:22101040|Pesticides:streptomycin|Reaxys:74498|Wikipedia:Streptomycin phenio.json 2,4-Diguanidino-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-(2-deoxy-2-methylamino-alpha-L-glucopyranosyl)-3-C-formyl-beta-L-lyxopentanofuranoside|Kantrex|N,N'''-[(1R,2R,3S,4R,5R,6S)-4-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-formyl-alpha-L-lyxofuranosyloxy}-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine|SM|STREPTOMYCIN|[2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine}|streomycin|streptomycin http://purl.obolibrary.org/obo/CHEBI_17076 3_STAR
CHEBI:17077 biolink:ChemicalSubstance 2-carboxy-D-arabinitol The 2-carboxy derivative of D-arabinitol. Beilstein:1726018|KEGG:C03215 phenio.json 2-C-(hydroxymethyl)-D-ribonic acid|2-Carboxy-D-arabinitol|2-carboxy-D-arabitol http://purl.obolibrary.org/obo/CHEBI_17077 3_STAR
CHEBI:17078 biolink:ChemicalSubstance L-gamma-glutamyl-L-cysteinyl-beta-alanine KEGG:C04544 phenio.json L-gamma-glutamyl-L-cysteinyl-beta-alanine|gamma-L-Glutamyl-L-cysteinyl-beta-alanine http://purl.obolibrary.org/obo/CHEBI_17078 3_STAR
CHEBI:17079 biolink:ChemicalSubstance (S)-3'-hydroxy-N-methylcoclaurine An isoquinoline alkaloid having a tetrahydroisoquinoline core with 3,4-dihydroxybenzyl, methoxy and hydroxy groups at the 1-, 6- and 7-positions respectively; major species at pH 7.3. KEGG:C05202 phenio.json (S)-3'-Hydroxy-N-methylcoclaurine|3'-Hydroxy-N-methyl-(S)-coclaurine|3'-hydroxy-(S)-N-methylcoclaurine|3'-hydroxy-N-methyl-(S)-coclaurine|4-{[(1S)-7-hydroxy-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}benzene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_17079 3_STAR
CHEBI:17081 biolink:ChemicalSubstance dimethylmaleate(2-) A dicarboxylic acid dianion that is obtained from dimethylmaleic acid by removal of a proton from each of the carboxylic acid groups. Beilstein:3664409|KEGG:C00922|MetaCyc:DIMETHYLMAL-CPD|PMID:11814804|PMID:16899047|PMID:4332128|PMID:5817984|PMID:6489933|PMID:8124663|PMID:8392528 phenio.json (2Z)-2,3-dimethylbut-2-enedioate|2,3-dimethylmaleate|Dimethylmaleate|dimethylmaleate|dimethylmaleic acid dianion http://purl.obolibrary.org/obo/CHEBI_17081 3_STAR
CHEBI:17082 biolink:ChemicalSubstance L-2-aminoadipate(2-) phenio.json (2S)-2-aminohexanedioate http://purl.obolibrary.org/obo/CHEBI_17082 3_STAR
CHEBI:17083 biolink:ChemicalSubstance 2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol A dihydropterin that is 7,8-dihydropteridin-4-ol substituted at positions 2 and 6 by amino and hydroxymethyl groups respectively. KEGG:C01300|KNApSAcK:C00007501|PDBeChem:PH2 phenio.json 2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine|2-amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine|2-amino-6-(hydroxymethyl)-7,8-dihydropteridin-4-ol http://purl.obolibrary.org/obo/CHEBI_17083 3_STAR
CHEBI:17084 biolink:ChemicalSubstance 2-hydroxyglutaric acid A 2-hydroxydicarboxylic acid that is glutaric acid in which one hydrogen alpha- to a carboxylic acid group is substituted by a hydroxy group. CAS:2889-31-8|HMDB:HMDB0059655|KEGG:C02630|MetaCyc:2-HYDROXYGLUTARIC_ACID|PMID:17439666|Reaxys:1723805|Wikipedia:Alpha-Hydroxyglutaric_acid phenio.json 2-hydroxyglutaric acid|2-hydroxypentanedioic acid|alpha-hydroxyglutaric acid http://purl.obolibrary.org/obo/CHEBI_17084 3_STAR
CHEBI:17087 biolink:ChemicalSubstance ketone A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H). KEGG:C01450|Wikipedia:Ketone phenio.json Keton|Ketone|R-CO-R'|a ketone|cetone|ketones http://purl.obolibrary.org/obo/CHEBI_17087 3_STAR
CHEBI:17088 biolink:ChemicalSubstance monoacyl-sn-glycerol 3-phosphate An sn-glycero-3-phosphate compound having a single unspecified acyl group at either position 1 or position 2. KEGG:C03849 phenio.json Acyl-sn-glycerol 3-phosphate|acyl-sn-glycerol 3-phosphates http://purl.obolibrary.org/obo/CHEBI_17088 3_STAR
CHEBI:17089 biolink:ChemicalSubstance glycoprotein A compound in which a carbohydrate component is covalently bound to a protein component. KEGG:C00326 phenio.json Glycoprotein|Glykoprotein|Glykoproteine|a glycoprotein|glicoproteina|glicoproteinas|glycoproteine|glycoproteines|glycoproteins http://purl.obolibrary.org/obo/CHEBI_17089 3_STAR
CHEBI:17092 biolink:ChemicalSubstance 3-chloro-D-alanine A 3-chloroalanine that has S configutation at the chiral centre. KEGG:C02634 phenio.json 3-Chloro-D-alanine|3-chloro-D-alanine http://purl.obolibrary.org/obo/CHEBI_17092 3_STAR
CHEBI:17094 biolink:ChemicalSubstance 2-dehydropantoic acid An oxo monocarboxylic acid that is 2-oxobutanoic acid in which both of the hydrogens at position 3 are substituted by methyl groups and one of the hydrogens at position 4 is substituted by a hydroxy group. KEGG:C00966|KNApSAcK:C00007477|PDBeChem:KPL|PMID:234966|Reaxys:2242422 phenio.json 2-Dehydropantoate|4-hydroxy-3,3-dimethyl-2-oxobutanoic acid|ketopantoic acid http://purl.obolibrary.org/obo/CHEBI_17094 3_STAR
CHEBI:17096 biolink:ChemicalSubstance strictosidine aglycone CAS:85925-13-9|KEGG:C03309|PMID:29424954 phenio.json Strictosidine aglycone|methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-{[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl}-3,4-dihydro-2H-pyran-5-carboxylate http://purl.obolibrary.org/obo/CHEBI_17096 3_STAR
CHEBI:17097 biolink:ChemicalSubstance biphenyl A benzenoid aromatic compound that consists of two benzene rings connected by a single covalent bond. Biphenyl occurs naturally in coal tar, crude oil, and natural gas. Formerly used as a fungicide for citrus crops. CAS:92-52-4|Gmelin:3808|HMDB:HMDB0034437|KEGG:C06588|MetaCyc:BIPHENYL|PDBeChem:BNL|PMID:21337247|PMID:21575716|PPDB:82|Pesticides:biphenyl|Reaxys:1634058|UM-BBD_compID:c0371|Wikipedia:Biphenyl phenio.json 1,1'-Biphenyl|1,1'-Diphenyl|1,1'-biphenyl|Biphenyl|E230|Phenylbenzene|biphenyl http://purl.obolibrary.org/obo/CHEBI_17097 3_STAR
CHEBI:17099 biolink:ChemicalSubstance aspulvinone H CAS:57744-69-1|KEGG:C02008 phenio.json 4-hydroxy-5-[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzylidene]-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]furan-2(5H)-one|Aspulvinone H http://purl.obolibrary.org/obo/CHEBI_17099 3_STAR
CHEBI:17100 biolink:ChemicalSubstance L-arabinono-1,4-lactone Beilstein:82060|CAS:51532-86-6|KEGG:C01114 phenio.json (3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-one|L-Arabino-1,4-lactone|L-Arabinonic acid, gamma-lactone|L-Arabinono-1,4-lactone|L-Arabonolactone|L-arabino-1,4-Lactone|L-arabinonic acid gamma-lactone|L-arabinono-1,4-lactone http://purl.obolibrary.org/obo/CHEBI_17100 3_STAR
CHEBI:17102 biolink:ChemicalSubstance phosphoramide A compound in which one or more of the OH groups of phosphoric acid have been replaced with an amino or substituted amino group. The term is commonly confined to the phosphoric triamides, P(=O)(NR2)3, since replacement of one or two OH groups produces phosphoramidic acids: P(=O)(OH)(NR2)2 , P(=O)(OH)2(NR2). phenio.json phosphamide|phosphamides|phosphoramides http://purl.obolibrary.org/obo/CHEBI_17102 3_STAR
CHEBI:17103 biolink:ChemicalSubstance N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(d18:1(4E)) A glycotriaosylceramide having N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucose as the glycotriaosyl component. KEGG:C04845|KEGG:G00036|PMID:1528196|PMID:60462|PMID:6209560 phenio.json (2S,3R,4E)-2-acylamino-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide|N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide|N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactocyl-1,4-beta-glucosyl-1,1'-beta-ceramide|N-acetyl-beta-D-glucosaminyl-1,3-beta-D-galactosyl-1,4-beta-D-glucosylceramide|a beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer(d18:1(4E))|beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer|beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer http://purl.obolibrary.org/obo/CHEBI_17103 3_STAR
CHEBI:17104 biolink:ChemicalSubstance 6-hydroxyprotopine A dibenzazecine alkaloid that is protopine bearing a hydroxy substituent at the 6-position. KEGG:C05190 phenio.json 10-hydroxyprotopine|6-Hydroxyprotopine|6-hydroxy-7-methyl-2,3:9,10-bis[methylenebis(oxy)]-7,13a-secoberbin-13a-one|6-hydroxyprotopine|8-hydroxy-7-methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one http://purl.obolibrary.org/obo/CHEBI_17104 3_STAR
CHEBI:17105 biolink:ChemicalSubstance 4-maleylacetoacetate KEGG:C01036|UM-BBD_compID:c0109 phenio.json (2Z)-4,6-dioxooct-2-enedioate|4-maleylacetoacetate http://purl.obolibrary.org/obo/CHEBI_17105 3_STAR
CHEBI:17106 biolink:ChemicalSubstance 1-alkyl-sn-glycerol 3-phosphate An alkyl-sn-glycerol 3-phosphate in which the alkyl group is at position 1 of the sn-glycerol. KEGG:C03968 phenio.json 1-Alkyl-sn-glycero-3-phosphate|1-Alkyl-sn-glycerol 3-phosphate|1-O-Alkyl-sn-glycerol 3-phosphate|1-alkyl-sn-glycerol 3-phosphates http://purl.obolibrary.org/obo/CHEBI_17106 3_STAR
CHEBI:17108 biolink:ChemicalSubstance D-arabinose CAS:10323-20-3|KEGG:C00216 phenio.json D-Ara|D-Arabinose|D-arabino-pentose|D-arabinose http://purl.obolibrary.org/obo/CHEBI_17108 3_STAR
CHEBI:17109 biolink:ChemicalSubstance 7,8-dihydro-7,8-dihydroxykynurenic acid The 7,8-dihydro-7,8-dihydroxy derivative of kynurenic acid. KEGG:C01249 phenio.json 4,7,8-trihydroxy-7,8-dihydroquinoline-2-carboxylic acid|7,8-Dihydro-7,8-dihydroxykynurenate http://purl.obolibrary.org/obo/CHEBI_17109 3_STAR
CHEBI:17110 biolink:ChemicalSubstance 1-guanidino-1-deoxy-scyllo-inositol A derivative of scyllo-inositol having a guanidino group in place of the 1-hydroxy group. KEGG:C04280 phenio.json 1-Guanidino-1-deoxy-scyllo-inositol|1-[(1s,2R,3S,4r,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]guanidine|1-carbamimidamido-1-deoxy-scyllo-inositol|1-carbamimidoylamino-1-deoxy-scyllo-inositol|1-guanidino-1-deoxy-scyllo-inositol|Amidino-scyllo-inosamine http://purl.obolibrary.org/obo/CHEBI_17110 3_STAR
CHEBI:17111 biolink:ChemicalSubstance 5-O-phosphono-alpha-D-ribofuranosyl diphosphate A derivative of alpha-D-ribose having a phosphate group at the 5-position and a diphosphate at the 1-position. CAS:7540-64-9|DrugBank:DB01632|HMDB:HMDB0000280|KEGG:C00119|KNApSAcK:C00007296|MetaCyc:PRPP|PDBeChem:PRP|PMID:22264286|PMID:23509005|PMID:23734909|Reaxys:60403 phenio.json 5-O-phosphono-alpha-D-ribofuranose 1-(trihydrogen diphosphate)|5-Phospho-alpha-D-ribose 1-diphosphate|5-Phosphoribosyl 1-pyrophosphate|5-Phosphoribosyl diphosphate|ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID|PRPP|PRib-PP|alpha-D-ribofuranose 5-(dihydrogen phosphate) 1-(trihydrogen diphosphate)|phosphoribosyl pyrophosphate|phosphoribosylpyrophosphate http://purl.obolibrary.org/obo/CHEBI_17111 3_STAR
CHEBI:17113 biolink:ChemicalSubstance erythritol The meso-diastereomer of butane-1,2,3,4-tetrol. Beilstein:1719753|CAS:149-32-6|DrugBank:DB04481|Gmelin:82499|HMDB:HMDB0002994|KEGG:C00503|KNApSAcK:C00001161|MetaCyc:ERYTHRITOL|PDBeChem:MRY|PMCID:PMC9193570|PMID:12639570|PMID:163226|PMID:16901854|PMID:17336832|PMID:17979222|PMID:18369603|PMID:19632091|PMID:19804861|PMID:22770225|PMID:23421980|PMID:23574577|PMID:23890177|PMID:24643482|PMID:25108762|PMID:35289142|PMID:35364613|PMID:35575772|PMID:36276829|PMID:36354105|PMID:36478868|PMID:36547619|PMID:36615861|PMID:36849732|PMID:9862657|Reaxys:1735878|Wikipedia:Erythritol phenio.json (2R,3S)-butane-1,2,3,4-tetrol|Erythrit|Erythrite|Erythritol|Erythrol|L-erythritol|MESO-ERYTHRITOL|Phycite|Phycitol|erythritol|erythro-tetritol|meso-erythritol|mesoerythritol http://purl.obolibrary.org/obo/CHEBI_17113 3_STAR
CHEBI:17114 biolink:ChemicalSubstance N(5)-formyl-5,6,7,8-tetrahydromethanopterin CAS:99451-79-3|KEGG:C01274|PDBeChem:H4Z phenio.json 1-(4-{(1R)-1-[(6S,7S)-2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-{5-O-[(1S)-1,3-dicarboxypropylphosphono]-alpha-D-ribofuranosyl}-D-ribitol|5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL)ETHYL]AMINO}PHENYL)-5-DEOXY-1-O-{5-O-[(1,3-DICARBOXYPROPOXY)(HYDROXY)PHOSPHORYL]PENTOFURANOSYL}PENTITOL|5-Formyl-5,6,7,8-tetrahydromethanopterin|5-Formyl-H4MPT|5-formyl-5,6,7,8-tetrahydromethanopterin|N(5)-Formyltetrahydromethanopterin|N5-formyl-5,6,7,8-tetrahydromethanopterin http://purl.obolibrary.org/obo/CHEBI_17114 3_STAR
CHEBI:17115 biolink:ChemicalSubstance L-serine The L-enantiomer of serine. CAS:56-45-1|DrugBank:DB00133|Drug_Central:4127|ECMDB:ECMDB00187|Gmelin:2570|HMDB:HMDB0000187|KEGG:C00065|KEGG:D00016|KNApSAcK:C00001393|MetaCyc:SER|PDBeChem:SER|PMID:1650428|PMID:17439666|PMID:19062365|PMID:21956576|PMID:22265470|PMID:22393170|PMID:22547037|PMID:22566084|PMID:22566694|Reaxys:1721404|Wikipedia:L-serine|YMDB:YMDB00112 phenio.json (2S)-2-amino-3-hydroxypropanoic acid|(S)-(-)-serine|(S)-2-amino-3-hydroxypropanoic acid|(S)-alpha-Amino-beta-hydroxypropionic acid|(S)-serine|L-(-)-serine|L-2-Amino-3-hydroxypropionic acid|L-3-Hydroxy-2-aminopropionic acid|L-3-Hydroxy-alanine|L-Ser|L-Serin|L-Serine|L-serine|S|SERINE|Ser|Serine|beta-Hydroxy-L-alanine|beta-Hydroxyalanine http://purl.obolibrary.org/obo/CHEBI_17115 3_STAR
CHEBI:17117 biolink:ChemicalSubstance 5-dehydro-4-deoxy-D-glucuronate The anion resulting from the removal of a proton from the carboxylic acid group of 5-dehydro-4-deoxy-D-glucuronic acid. KEGG:C04053|PMID:10441389|PMID:15148314|PMID:16630576|PMID:16893885|PMID:19416976|PMID:21147778 phenio.json (4S,5R)-4,5-dihydroxy-2,6-dioxohexanoate|4-Deoxy-L-threo-5-hexosulose uronate|4-deoxy-L-threo-hex-5-ulosuronate|5-Dehydro-4-deoxy-D-glucuronate|5-dehydro-4-deoxy-D-glucuronate http://purl.obolibrary.org/obo/CHEBI_17117 3_STAR
CHEBI:17118 biolink:ChemicalSubstance aldehydo-D-galactose Beilstein:1724619|GlyTouCan:G93924TT phenio.json (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal|WURCS=2.0/1,1,0/[o2112h]/1/|aldehydo-D-galacto-hexose|aldehydo-D-galactose http://purl.obolibrary.org/obo/CHEBI_17118 3_STAR
CHEBI:17119 biolink:ChemicalSubstance fMet-tRNA(fMet) KEGG:C03294 phenio.json N-Formylmethionyl-tRNA|N-formyl-L-methionyl-tRNA(fMet)|fMet-tRNA(fMet) http://purl.obolibrary.org/obo/CHEBI_17119 3_STAR
CHEBI:17120 biolink:ChemicalSubstance hexanoate A short-chain fatty acid anion that is the conjugate base of hexanoic acid (also known as caproic acid). Beilstein:3601453|CAS:151-33-7|ECMDB:ECMDB21229|Gmelin:326340|KEGG:C01585|MetaCyc:HEXANOATE phenio.json 1-hexanoate|1-pentacarboxylate|1-pentanecarboxylate|CH3-[CH2]4-COO(-)|butylacetate|caproate|capronate|hexanoate|hexoate|hexylate|n-caproate|n-hexanoate|n-hexoate|n-hexylate|nPnCO2 anion|pentanecarboxylate|pentylformate http://purl.obolibrary.org/obo/CHEBI_17120 3_STAR
CHEBI:17121 biolink:ChemicalSubstance oxomalonate(2-) Beilstein:5807275|Gmelin:1783066|KEGG:C00830 phenio.json oxomalonate|oxopropanedioate http://purl.obolibrary.org/obo/CHEBI_17121 3_STAR
CHEBI:17122 biolink:ChemicalSubstance aldehydo-N-acetyl-D-mannosamine An N-acetylmannosamine in open-chain aldehyde form with D-configuration. CAS:3615-17-6|KEGG:C00645 phenio.json 2-Acetamido-2-deoxy-D-mannose|D-ManNAc|N-Acetyl-D-mannosamine|N-acetyl-D-mannosamine|aldehydo-N-acetyl-D-mannosamine http://purl.obolibrary.org/obo/CHEBI_17122 3_STAR
CHEBI:17123 biolink:ChemicalSubstance 2-aminoacrylic acid A 2,3-dehydroamino acid that is alanine which has been dehydrogenated to introduce a double bond between positions 2 and 3. CAS:1948-56-7|DrugBank:DB02688|KEGG:C02218|PDBeChem:DHA|PMID:16734454|PMID:18585427|PMID:23749972|PMID:23815688|Reaxys:6122568 phenio.json 2,3-didehydroalanine|2-Aminoacrylate|2-aminoprop-2-enoic acid|Dehydroalanine|alpha,beta-dehydroalanine|anhydroserine2-aminopropenoic acid http://purl.obolibrary.org/obo/CHEBI_17123 3_STAR
CHEBI:17125 biolink:ChemicalSubstance 6-acetamido-3-aminohexanoate KEGG:C03846 phenio.json 6-acetamido-3-aminohexanoate http://purl.obolibrary.org/obo/CHEBI_17125 3_STAR
CHEBI:17126 biolink:ChemicalSubstance carnitine An amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4. CAS:461-06-3|DrugBank:DB02648|KEGG:C00487|MetaCyc:DL-CARNITINE|PMID:22770225|PMID:23868375|Patent:US4255449|Patent:US4315944|Reaxys:1866665|Wikipedia:Carnitine phenio.json 3-hydroxy-4-(trimethylammonio)butanoate|D,L-carnitine|carnitine http://purl.obolibrary.org/obo/CHEBI_17126 3_STAR
CHEBI:17128 biolink:ChemicalSubstance adipate(2-) A dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of adipic acid. CAS:764-65-8|Gmelin:326743|MetaCyc:ADIPATE|Reaxys:3904826|UM-BBD_compID:c0123 phenio.json O2C(CH2)4CO2 dianion|adipate dianion|hexan-1,6-dicarboxylate|hexanedioate|hexanedioic acid, ion(2-) http://purl.obolibrary.org/obo/CHEBI_17128 3_STAR
CHEBI:17129 biolink:ChemicalSubstance (S)-scoulerine A berberine alkaloid isolated from Corydalis saxicola. CAS:6451-73-6|KEGG:C02106|KNApSAcK:C00026092|LINCS:LSM-3391|PDBeChem:SLX|PMID:18649321|PMID:22029392|Wikipedia:Scoulerine phenio.json (-)-scoulerine|(13aS)-3,10-dimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline-2,9-diol|(13aS)-5,8,13,13a-tetrahydro-3,10-dimethoxy-6H-dibenzo[a,g]quinolizine-2,9-diol|(S)-Scoulerine|(S)-scoulerine http://purl.obolibrary.org/obo/CHEBI_17129 3_STAR
CHEBI:17130 biolink:ChemicalSubstance 10-oxocapric acid A capric acid derivative carrying an oxo group at position 10. Beilstein:1766800|CAS:5578-80-3|KEGG:C02217|LIPID_MAPS_instance:LMFA01060078 phenio.json 10-oxodecanoic acid|9-aldehydononanoic acid|9-formylnonanoic acid|9-formylpelargonic acid|omega-oxocapric acid|omega-oxodecanoic acid|sebacaldehydic acid|sebacic semialdehyde http://purl.obolibrary.org/obo/CHEBI_17130 3_STAR
CHEBI:17131 biolink:ChemicalSubstance (3,5-diiodo-4-hydroxyphenyl)pyruvic acid A derivative of pyruvic acid carrying a 3,5-diiodo-4-hydroxyphenyl group at the 3-position. KEGG:C01244 phenio.json 3,5-Diiodo-4-hydroxyphenylpyruvate|3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate|3-(4-hydroxy-3,5-diiodophenyl)-2-oxopropanoic acid|beta-(3,5-diiodo-4-hydroxyphenyl)pyruvate http://purl.obolibrary.org/obo/CHEBI_17131 3_STAR
CHEBI:17132 biolink:ChemicalSubstance diethyl (2R,3R)-2-hydroxy-3-methylsuccinate Beilstein:5736901|KEGG:C04586 phenio.json Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate|diethyl (2R,3R)-2-hydroxy-3-methylbutanedioate|diethyl (2R,3R)-2-methyl-3-hydroxysuccinate http://purl.obolibrary.org/obo/CHEBI_17132 3_STAR
CHEBI:17133 biolink:ChemicalSubstance deoxylimonoic acid CAS:35606-75-8|KEGG:C02027 phenio.json Deoxylimonate|Deoxylimonic acid|{(3R,3aR,7aS)-3a-[(1R,6S,8aR)-1-furan-3-yl-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-isochromen-6-yl]-2,2-dimethyl-6-oxohexahydro-4H-furo[3,2-c]pyran-3-yl}acetic acid http://purl.obolibrary.org/obo/CHEBI_17133 3_STAR
CHEBI:17134 biolink:ChemicalSubstance octopamine A member of the class of phenylethanolamines that is phenol which is substituted at the para- position by a 2-amino-1-hydroxyethyl group. A biogenic phenylethanolamine which has been found to act as a neurotransmitter, neurohormone or neuromodulator in invertebrates. Beilstein:1211019|CAS:104-14-3|Drug_Central:3396|KEGG:C04227|LINCS:LSM-4975 phenio.json 1-(4-Hydroxyphenyl)-2-aminoethanol|1-(p-hydroxyphenyl)-2-aminoethanol|4-(2-amino-1-hydroxyethyl)phenol|Octopamin|Octopamine|alpha-(aminomethyl)-4-hydroxybenzenemethanol|alpha-(aminomethyl)-p-hydroxybenzyl alcohol|beta-hydroxytyramine|norsynephrine|octopaminum|p-Hydroxyphenylethanolamine http://purl.obolibrary.org/obo/CHEBI_17134 3_STAR
CHEBI:17135 biolink:ChemicalSubstance long-chain fatty alcohol A fatty alcohol with a chain length ranging from C13 to C22. KEGG:C00339|MetaCyc:Long-chain-alcohols|PMID:19155068|PMID:22436224|PMID:22444994 phenio.json Long-chain alcohol|a long chain fatty alcohol|long chain fatty alcohol|long chain fatty alcohols|long-chain alcohols|long-chain fatty alcohols http://purl.obolibrary.org/obo/CHEBI_17135 3_STAR
CHEBI:17136 biolink:ChemicalSubstance 2,8-dihydroxy-1,4-naphthoquinone A hydroxyquinone that is the 2,8-dihydroxy derivative of 1,4-naphthoquinone. KEGG:C04110 phenio.json 2,8-dihydroxynaphthalene-1,4-dione|3,5-Dihydroxy-1,4-naphthoquinone http://purl.obolibrary.org/obo/CHEBI_17136 3_STAR
CHEBI:17137 biolink:ChemicalSubstance hydrogensulfite CAS:15181-46-1|Gmelin:1455|KEGG:C11481|PDBeChem:SO3 phenio.json Bisulfite|HSO3(-)|HSO3-|Hydrogen sulfite|[SO2(OH)](-)|bisulfite|bisulphite|hydrogen sulfite(1-)|hydrogen(trioxidosulfate)(1-)|hydrogensulfite(1-)|hydrogentrioxosulfate(1-)|hydrogentrioxosulfate(IV)|hydrosulfite anion|hydroxidodioxidosulfate(1-)|monohydrogentrioxosulfate http://purl.obolibrary.org/obo/CHEBI_17137 3_STAR
CHEBI:17138 biolink:ChemicalSubstance glyceraldehyde 3-phosphate An aldotriose phosphate that is the 3-phospho derivative of glyceraldehyde. It is an important metabolic intermediate in several central metabolic pathways in all organisms. CAS:142-10-9|CAS:591-59-3|DrugBank:DB02263|HMDB:HMDB0001112|KEGG:C00661|KNApSAcK:C00007285|MetaCyc:CPD0-2032|Reaxys:1725008|Wikipedia:3-phosphoglyceraldehyde phenio.json 2-hydroxy-3-(phosphonooxy)propanal|2-hydroxy-3-oxopropyl dihydrogen phosphate|3-phosphoglyceraldehyde|DL-Glyceraldehyde 3-phosphate|GAP|Glyceraldehyde 3-phosphate|Glycerinaldehyd-3-phosphat|Glyzerinaldehyd-3-phosphat|gliceraldehido-3-fosfato|glyceraldehyde 3-(dihydrogen phosphate)|glyceraldehyde-3-phosphate http://purl.obolibrary.org/obo/CHEBI_17138 3_STAR
CHEBI:17139 biolink:ChemicalSubstance 6-O-sulfo-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->3)-1-O-alkyl-2-O-acylglycerol KEGG:C04920 phenio.json 6-Sulfo-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,6-alpha-D-glucosyl-1,3-1-O-alkyl-2-O-acylglycerol http://purl.obolibrary.org/obo/CHEBI_17139 3_STAR
CHEBI:17140 biolink:ChemicalSubstance D-xylulose The D-enantiomer of xylulose. CAS:551-84-8|DrugBank:DB03947|HMDB:HMDB0001644|KEGG:C00310|KNApSAcK:C00019684|MetaCyc:D-XYLULOSE|PDBeChem:XUL|PMID:15234337|Reaxys:1723052 phenio.json D-Lyxulose|D-Xul|D-Xylulose|D-threo-Pentulose|D-threo-pent-2-ulose|D-xylulose http://purl.obolibrary.org/obo/CHEBI_17140 3_STAR
CHEBI:17141 biolink:ChemicalSubstance cysteamine An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2. CAS:60-23-1|Chemspider:5834|DrugBank:DB00847|Drug_Central:768|FooDB:FDB023091|Gmelin:25385|HMDB:HMDB0002991|KEGG:C01678|KEGG:D03634|MetaCyc:CPD-239|PDBeChem:DHL|PMID:11341102|PMID:1603809|PMID:17581819|PMID:22039970|PMID:22642810|PMID:22735334|PMID:23429057|PMID:26043233|PMID:26322858|Reaxys:635649|Wikipedia:Cysteamine phenio.json 1-amino-2-mercaptoethane|2-AMINO-ETHANETHIOL|2-Aminoethanethiol|2-amino-1-ethanethiol|2-aminoethanethiol|2-aminoethyl mercaptan|2-aminoethylthiol|2-mercaptoethanamine|2-mercaptoethylamine|Cysteamine|MEA|Thioethanolamine|beta-Aminoethanethiol|beta-MEA|beta-Mercaptoethylamine|beta-aminoethanethiol|beta-aminoethylthiol|beta-mercaptoethylamine|cysteinamine|mercaptamina|mercaptamine|mercaptaminum|mercaptoethylamine http://purl.obolibrary.org/obo/CHEBI_17141 3_STAR
CHEBI:17142 biolink:ChemicalSubstance 5-formyl-2-hydroxyhepta-2,4-dienedioic acid CAS:2461-62-3|KEGG:C04642|UM-BBD_compID:c0305 phenio.json 2-Hydroxy-5-carboxymethylmuconate semialdehyde|5-Carboxymethyl-2-hydroxymuconate semialdehyde|5-Carboxymethyl-2-hydroxymuconic semialdehyde|5-formyl-2-hydroxyhepta-2,4-dienedioic acid http://purl.obolibrary.org/obo/CHEBI_17142 3_STAR
CHEBI:17143 biolink:ChemicalSubstance 5,6-dihydroxy-3-methyl-5,6-dihydroquinolin-2(1H)-one KEGG:C06726 phenio.json 5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroquinoline|5,6-dihydroxy-3-methyl-5,6-dihydroquinolin-2(1H)-one http://purl.obolibrary.org/obo/CHEBI_17143 3_STAR
CHEBI:17144 biolink:ChemicalSubstance 2-(3-amino-3-carboxypropyl)-L-histidine HMDB:HMDB0011655 phenio.json 2-(3-Carboxy-3-aminopropyl)-L-histidine|2-(3-amino-3-carboxypropyl)-L-histidine|2-(3-carboxy-3-aminopropyl)-L-histidine http://purl.obolibrary.org/obo/CHEBI_17144 3_STAR
CHEBI:17146 biolink:ChemicalSubstance anhydrotetracycline KEGG:C02811|PDBeChem:TDC phenio.json (4S,4aS,12aS)-4-(dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide|Anhydrotetracycline http://purl.obolibrary.org/obo/CHEBI_17146 3_STAR
CHEBI:17147 biolink:ChemicalSubstance 5-amino-4-chloro-2-(2,3-dihydroxyphenyl)pyridazin-3(2H)-one KEGG:C04798 phenio.json 5-Amino-4-chloro-2-(2',3'-dihydroxyphenyl)-3(2H)-pyridazinone|5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone|5-amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone|5-amino-4-chloro-2-(2,3-dihydroxyphenyl)pyridazin-3(2H)-one|Chloridazon catechol http://purl.obolibrary.org/obo/CHEBI_17147 3_STAR
CHEBI:17148 biolink:ChemicalSubstance putrescine A four-carbon alkane-alpha,omega-diamine. It is obtained by the breakdown of amino acids and is responsible for the foul odour of putrefying flesh. BPDB:1393|CAS:110-60-1|DrugBank:DB01917|ECMDB:ECMDB01414|Gmelin:1715|HMDB:HMDB0001414|KEGG:C00134|KNApSAcK:C00001428|MetaCyc:PUTRESCINE|PDBeChem:PUT|PMID:12053479|PMID:15453685|PMID:16346523|PMID:18721677|PMID:22735334|PMID:24331418|PMID:24820075|PMID:24864091|Reaxys:605282|Wikipedia:Putrescine|YMDB:YMDB00132 phenio.json 1,4-Butanediamine|1,4-DIAMINOBUTANE|1,4-butylenediamine|1,4-tetramethylenediamine|Butane-1,4-diamine|H2N(CH2)4NH2|Putrescin|Putrescine|Putreszin|Tetramethylendiamin|Tetramethylenediamine|butane-1,4-diamine|butylenediamine|putrescina http://purl.obolibrary.org/obo/CHEBI_17148 3_STAR
CHEBI:17149 biolink:ChemicalSubstance N-acetyl-beta-D-glycosaminyl glycopeptide A glycopeptide having an N-acetyl-beta-D-glycosaminyl residue at the non-reducing end. KEGG:C04502 phenio.json N-acetyl-beta-D-glycosaminyl glycopeptides http://purl.obolibrary.org/obo/CHEBI_17149 3_STAR
CHEBI:17150 biolink:ChemicalSubstance 2-phosphoglycolic acid The O-phospho derivative of glycolic acid. DrugBank:DB02726|KEGG:C00988|KNApSAcK:C00007561 phenio.json (phosphonooxy)acetic acid|2-Phosphoglycolate|2-phosphoglycolic acid|Phosphoglycolic acid http://purl.obolibrary.org/obo/CHEBI_17150 3_STAR
CHEBI:17151 biolink:ChemicalSubstance xylitol A pentitol (five-carbon sugar alcohol) having meso-configuration, being derived from xylose by reduction of the carbonyl group. CAS:87-99-0|DrugBank:DB01904|Drug_Central:4604|Gmelin:82893|HMDB:HMDB0002917|KEGG:C00379|KEGG:D00061|MetaCyc:XYLITOL|PDBeChem:XYL|PMID:11154411|PMID:11163479|PMID:12061879|PMID:15377394|PMID:16708791|PMID:16901854|PMID:17216457|PMID:17216458|PMID:17336832|PMID:17979222|PMID:18316079|PMID:20030329|PMID:22735334|PMID:22791282|PMID:23247825|PMID:23287496|PMID:23338824|PMID:23589387|PMID:23597921|PMID:23615861|PMID:23796483|PMID:23916161|PMID:23957303|PMID:24012734|PMID:24643482|PMID:25108762|Reaxys:1720523|Wikipedia:Xylitol phenio.json (2R,3R,4S)-Pentane-1,2,3,4,5-pentaol|(2R,3r,4S)-pentane-1,2,3,4,5-pentol|D-XYLITOL|L-xylitol|Xylit|Xylitol|meso-xylitol|xylite|xylitol http://purl.obolibrary.org/obo/CHEBI_17151 3_STAR
CHEBI:17153 biolink:ChemicalSubstance propanal An aldehyde that consists of ethane bearing a formyl substituent. The parent of the class of propanals. CAS:123-38-6|HMDB:HMDB0003366|KEGG:C00479|MetaCyc:CPD-665|PDBeChem:CBG|PMID:20097366|PMID:21568340|Reaxys:506010|UM-BBD_compID:c0207|Wikipedia:Propanal phenio.json 1-Propanal|Aldehyde propionique|C2H5CHO|Methylacetaldehyde|Propaldehyde|Propanal|Propanaldehyde|Propional|Propionaldehyde|Propionic aldehyde|Propyl aldehyde|Propylaldehyde|Propylic aldehyde|n-Propanal|n-Propionaldehyde|propanal|propionaldehyde http://purl.obolibrary.org/obo/CHEBI_17153 3_STAR
CHEBI:17154 biolink:ChemicalSubstance nicotinamide A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. CAS:98-92-0|DrugBank:DB02701|Drug_Central:1906|FooDB:FDB012485|Gmelin:3336|HMDB:HMDB0001406|KEGG:C00153|KEGG:D00036|KNApSAcK:C00000209|LINCS:LSM-5428|MetaCyc:NIACINAMIDE|PDBeChem:NCA|PMID:10884473|PMID:11355130|PMID:11814060|PMID:12014919|PMID:12487919|PMID:12519385|PMID:12709297|PMID:12782109|PMID:12890690|PMID:14729974|PMID:14757966|PMID:14871431|PMID:15497767|PMID:15563975|PMID:15780941|PMID:15807725|PMID:15834926|PMID:15995937|PMID:16029679|PMID:16209160|PMID:16596767|PMID:16766489|PMID:16871361|PMID:17021258|PMID:17129213|PMID:18234191|PMID:18316796|PMID:18368629|PMID:18373238|PMID:18389009|PMID:18514428|PMID:18930755|PMID:18987186|PMID:19212411|PMID:19539713|PMID:19544437|PMID:2026685|PMID:21503886|PMID:21891976|PMID:21918528|PMID:21926578|PMID:22067079|PMID:22160932|PMID:22207684|PMID:22232263|PMID:22281243|PMID:22359146|PMID:22361740|PMID:22407380|PMID:22456321|PMID:22536229|PMID:22543086|PMID:22626821|PMID:22699421|PMID:22709272|PMID:22763693|PMID:22770225|PMID:23016598|PMID:23028781|PMID:23043891|PMID:23047329|PMID:24027187|PMID:24077178|PMID:24559077|PMID:24635573|PMID:25504347|PMID:25561219|PMID:31710686|PMID:32249824|PMID:33196157|PMID:33471934|PMID:8620561|PMID:8767167|PMID:9518388|Patent:US2904552|Patent:US2993051|Reaxys:383619|Wikipedia:Nicotinamide phenio.json 3-carbamoylpyridine|3-pyridinecarboxamide|Niacinamide|Nicotinamid|Nicotinsaeureamid|Nikotinamid|Nikotinsaeureamid|Vitamin PP|beta-pyridinecarboxamide|m-(aminocarbonyl)pyridine|niacin|niamide|nicotinamida|nicotinamide|nicotinamidum|nicotine acid amide|nicotine amide|nicotinic acid amide|nicotinic amide|nicotylamide|pyridine-3-carboxamide|pyridine-3-carboxylic acid amide|vitamin B3 http://purl.obolibrary.org/obo/CHEBI_17154 3_STAR
CHEBI:17155 biolink:ChemicalSubstance flavonol 3-O-(6-O-malonyl-beta-D-glucoside) Any glycosyloxyflavone that consists of a flavonol attached to a 6-O-malonyl-beta-D-glucosyl residue at position 3 via a glycosidic linkage. KEGG:C04385 phenio.json 4-oxo-2-phenyl-4H-chromen-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside|Flavonol 3-O-(6-O-malonyl-beta-D-glucoside)|flavonol 3-O-(6-O-malonyl-beta-D-glucoside)s http://purl.obolibrary.org/obo/CHEBI_17155 3_STAR
CHEBI:17156 biolink:ChemicalSubstance 1D-3-amino-1-guanidino-1,3-dideoxy-scyllo-inositol A derivative of scyllo-inositol where the 1- and 3-hydroxy groups are replaced by guanidino and amino groups respectively. KEGG:C01298 phenio.json 1-[(1R,2S,3S,4R,5S,6S)-3-amino-2,4,5,6-tetrahydroxycyclohexyl]guanidine|1D-1-Guanidino-3-amino-1,3-dideoxy-scyllo-inositol|Amidinostreptamine http://purl.obolibrary.org/obo/CHEBI_17156 3_STAR
CHEBI:17158 biolink:ChemicalSubstance methylglyoxal A 2-oxo aldehyde derived from propanal. CAS:78-98-8|KEGG:C00546|KNApSAcK:C00007562|PMID:10373458|PMID:10723098|PMID:11504881|PMID:15520007|PMID:17103372|PMID:19202315|PMID:20096340|PMID:22983866|PMID:23543734|PMID:23845007|PMID:24040205|PMID:24168114|PMID:26861824|PMID:9506998|Reaxys:906750|Wikipedia:Methylglyoxal phenio.json 1,2-propanedione|2-Ketopropionaldehyde|2-Oxopropanal|2-oxopropanal|2-oxopropionaldehyde|CH3COCHO|Methylglyoxal|Pyruvaldehyde|Pyruvic aldehyde|acetylformaldehyde|acetylformyl|alpha-ketopropionaldehyde|methylglyoxal http://purl.obolibrary.org/obo/CHEBI_17158 3_STAR
CHEBI:17159 biolink:ChemicalSubstance (R)-carnitinamide Beilstein:5731415|KEGG:C02290 phenio.json (2R)-4-amino-2-hydroxy-N,N,N-trimethyl-4-oxobutan-1-aminium|(R)-carnitinamide|L-Carnitinamide http://purl.obolibrary.org/obo/CHEBI_17159 3_STAR
CHEBI:17160 biolink:ChemicalSubstance 17alpha-estradiol An estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17alpha stereoisomer). Beilstein:2698044|CAS:57-91-0|Chemspider:61840|FooDB:FDB011524|Gmelin:2190991|HMDB:HMDB0000429|KEGG:C02537|KEGG:D07121|LINCS:LSM-36371|LIPID_MAPS_instance:LMST02010029|MetaCyc:CPD-351|PMID:10533159|PMID:10977945|PMID:11379378|PMID:11410806|PMID:12115026|PMID:12234624|PMID:15698550|PMID:15947006|PMID:16042770|PMID:1810267|PMID:18644750|PMID:19093730|PMID:1920120|PMID:20451236|PMID:22581453|PMID:24245565|PMID:24564600|PMID:28877759|PMID:7925599|PMID:9457484|Wikipedia:17%CE%B1-Estradiol phenio.json (17alpha)-estra-1,3,5(10)-triene-3,17-diol|1,3,5-estratriene-3,17alpha-diol|13beta-methyl-1,3,5(10)-gonatriene-3,17alpha-diol|17-epiestradiol|17alpha-Estradiol|17alpha-estradiol|17alpha-oestradiol|3,17alpha-dihydroxyestra-1,3,5(10)-triene|3,17alpha-dihydroxyoestra-1,3,5(10)-triene|Estradiol-17alpha|alfatradiol|alfatradiolum|alpha-estradiol|epiestradiol|epiestrol|estra-1,3,5(10)-triene-3,17alpha-diol|estra-1,3,5(10)trien-3,17alpha-diol|oestra-1,3,5(10)-triene-3,17alpha-diol http://purl.obolibrary.org/obo/CHEBI_17160 3_STAR
CHEBI:17161 biolink:ChemicalSubstance O-demethylpuromycin A derivative of puromycin lacking the O-methyl group on the tyrosyl residue. CAS:21708-87-2|KEGG:C02864 phenio.json 3'-deoxy-N,N-dimethyl-3'-(L-tyrosinamido)adenosine|O-Demethylpuromycin http://purl.obolibrary.org/obo/CHEBI_17161 3_STAR
CHEBI:17162 biolink:ChemicalSubstance 2-oxooctadecanoate A 2-oxo monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of 2-oxooctadecanoic acid (stearic acid). The major species at pH 7.3. KEGG:C00869 phenio.json 2-oxooctadecanoate|2-oxostearate http://purl.obolibrary.org/obo/CHEBI_17162 3_STAR
CHEBI:17163 biolink:ChemicalSubstance S-methyl D-thioglycerate Beilstein:1701892|KEGG:C03804 phenio.json (2R)-S-methyl-1-thioglycerate|S-Methyl-1-thio-D-glycerate|S-methyl (2R)-2,3-dihydroxypropanethioate http://purl.obolibrary.org/obo/CHEBI_17163 3_STAR
CHEBI:17164 biolink:ChemicalSubstance stachyose A tetrasaccharide consisting of sucrose having an alpha-D-galactosyl-(1->6)-alpha-D-galactosyl moiety attached at the 6-position of the glucose. CAS:10094-58-3|CAS:470-55-3|HMDB:HMDB0003553|KEGG:C01613|KEGG:G00278|KNApSAcK:C00001150|PMID:10334866|PMID:10652123|PMID:11789231|PMID:1255266|PMID:12801075|PMID:16656948|PMID:16658766|PMID:16666190|PMID:16668659|PMID:18970754|PMID:21421343|PMID:7524207|PMID:8479952|PMID:8528153|PMID:9629861|Reaxys:1445746|Reaxys:1696669|Reaxys:74246|Wikipedia:Stachyose phenio.json O-alpha-D-galactopyranosyl-(1->6)o-alpha-D-galactopyranosyl-(1->6)O-alpha-D-galactopyranosyl-beta-D-fructofuranoside|Stachyose|alpha-D-Galp-(1->6)-alpha-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf|beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside|stachyose http://purl.obolibrary.org/obo/CHEBI_17164 3_STAR
CHEBI:17165 biolink:ChemicalSubstance Photinus luciferin A 1,3-thiazolemonocarboxylic acid consisting of 3,5-dihydrothiophene-4-carboxylic acid having a 6-hydroxybenzothiazol-2-yl group at the 2-position. CAS:2591-17-5|Gmelin:30484|KEGG:C02740 phenio.json (4S)-2-(6-hydroxy-1,3-benzothiazol-2-yl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid|(S)-4,5-Dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxylic acid|(S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid|(S)-4,5-dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid|(S)-4,5-dihydro-2-(6-hydroxybenzothiazol-2-yl)thiazole-4-carboxylic acid|Firefly luciferin|Photinus luciferin|firefly luciferin http://purl.obolibrary.org/obo/CHEBI_17165 3_STAR
CHEBI:17166 biolink:ChemicalSubstance N-methylputrescine An N-monosubstituted putrescine where the N-substituent is methyl. KEGG:C02723 phenio.json N-Methylputrescine|N-methylbutane-1,4-diamine http://purl.obolibrary.org/obo/CHEBI_17166 3_STAR
CHEBI:171664 biolink:ChemicalSubstance antiamoebic agent An antiparasitic agent which is effective against amoeba, a genus of single-celled amoeboids in the family Amoebidae. phenio.json amebicide|amebicides|amoebicide|amoebicides|anti-amoebic agent|anti-amoebic agents|anti-amoebic drug|anti-amoebic drugs|antiamoebic|antiamoebic agents|antiamoebic drug|antiamoebic drugs|antiamoebics http://purl.obolibrary.org/obo/CHEBI_171664 3_STAR
CHEBI:17167 biolink:ChemicalSubstance (R)-lactaldehyde The (R)-stereoisomer of lactaldehyde. KEGG:C00937|PMID:14323585|PMID:5016652|Reaxys:1719826 phenio.json (2R)-2-hydroxypropanal|(R)-Lactaldehyde|(R)-lactaldehyde|D-2-Hydroxypropionaldehyde|D-2-hydroxypropionaldehyde|D-Lactaldehyde|D-lactaldehyde http://purl.obolibrary.org/obo/CHEBI_17167 3_STAR
CHEBI:17168 biolink:ChemicalSubstance 5alpha-cholest-7-en-3beta-ol A cholestanoid that is (5alpha)-cholest-7-ene substituted by a beta-hydroxy group at position 3. CAS:80-99-9|HMDB:HMDB0001170|KEGG:C01189|KNApSAcK:C00023744|LIPID_MAPS_instance:LMST01010089|PMID:12812989|PMID:14511438|Reaxys:3215566|Wikipedia:Lathosterol phenio.json 5alpha-Cholest-7-en-3beta-ol|5alpha-cholest-7-en-3beta-ol|Lathosterol|gamma-Cholesterol|lathosterol http://purl.obolibrary.org/obo/CHEBI_17168 3_STAR
CHEBI:171681 biolink:ChemicalSubstance Bis(2-furanylmethyl) disulfide CAS:4437-20-1|Chemspider:19306|HMDB:HMDB0029988 phenio.json 2-[(uran-2-ylmethyldisulanyl)methyl]uran http://purl.obolibrary.org/obo/CHEBI_171681 2_STAR
CHEBI:17169 biolink:ChemicalSubstance benzaldehyde An arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes. CAS:100-52-7|HMDB:HMDB0006115|KEGG:C00193|KEGG:C00261|KEGG:D02314|MetaCyc:BENZALDEHYDE|PDBeChem:HBX|PMID:11943806|PMID:12692643|PMID:12738275|PMID:12746108|PMID:1388821|PMID:15087594|PMID:15658857|PMID:16248550|PMID:16508147|PMID:16557466|PMID:18348134|PMID:20733068|PMID:20878540|PMID:21035797|PMID:21538605|PMID:21773601|PMID:21828928|PMID:23263855|Reaxys:471223|UM-BBD_compID:c0279|Wikipedia:Benzaldehyde phenio.json Artificial almond oil|Benzaldehyde|Benzanoaldehyde|Benzene carbaldehyde|Benzene carboxaldehyde|Benzenecarbonal|Benzenecarboxaldehyde|Benzenemethylal|Benzoic acid aldehyde|Benzoic aldehyde|Benzylaldehyde|Ethereal oil of bitter almonds|Phenylformaldehyde|Phenylmethanal|Synthetic oil of bitter almond|benzaldehyde http://purl.obolibrary.org/obo/CHEBI_17169 3_STAR
CHEBI:17170 biolink:ChemicalSubstance dimethylamine A secondary aliphatic amine where both N-substituents are methyl. CAS:124-40-3|Gmelin:849|HMDB:HMDB0000087|KEGG:C00543|MetaCyc:DIMETHYLAMINE|PDBeChem:DMN|PMID:17190852|PMID:18282650|PMID:22074457|Reaxys:605257|Wikipedia:Dimethylamine phenio.json DIMETHYLAMINE|DMA|Dimethylamine|HNMe2|Me2NH|N,N-Dimethylamine|N,N-dimethylamine|N-methylmethanamine http://purl.obolibrary.org/obo/CHEBI_17170 3_STAR
CHEBI:17172 biolink:ChemicalSubstance 2'-deoxyguanosine A purine 2'-deoxyribonucleoside having guanine as the nucleobase. CAS:961-07-9|HMDB:HMDB0000085|KEGG:C00330|MetaCyc:DEOXYGUANOSINE|PDBeChem:GNG|Reaxys:39814|Wikipedia:Deoxyguanosine phenio.json 2'-Deoxyguanosine|2'-deoxyguanosine|2-amino-9-(2-deoxy-9-beta-D-ribofuranosyl)-9H-purin-6-ol|9-(2-deoxy-beta-D-erythro-pentofuranosyl)-guanine|Deoxyguanosine|dG|guanine deoxy nucleoside http://purl.obolibrary.org/obo/CHEBI_17172 3_STAR
CHEBI:17173 biolink:ChemicalSubstance D-ribulose The D-stereoisomer of ribulose. CAS:488-84-6|HMDB:HMDB0000621|KEGG:C00309|KEGG:C05052|KNApSAcK:C00001131|MetaCyc:D-RIBULOSE|PDBeChem:RBL|PMID:22344653|PMID:24391356|PMID:4928018|Reaxys:1723050 phenio.json D-Arabinoketose|D-Arabinulose|D-Riboketose|D-Ribulose|D-Rul|D-erythro-2-Pentulose|D-erythro-Pent-2-ulose|D-erythro-pent-2-ulose|D-ribulose http://purl.obolibrary.org/obo/CHEBI_17173 3_STAR
CHEBI:17174 biolink:ChemicalSubstance heparosan N-sulfate L-iduronic acid A heparan sulfate composed of a backbone of repeating alpha-L-iduronosyl-(1->4)-N-sulfonyl-alpha-D-glucosamine units joined by (1->4)-linkages. KEGG:C04073|PMID:16860191 phenio.json Heparosan-N-sulfate L-iduronate|[4)-alpha-L-IdoA-(1->4)-alpha-D-GlcNS-(1->]n|[4)-alpha-L-IdopA-(1->4)-alpha-D-GlcpNS-(1->]n|poly[(1->4)-(alpha-L-idopyranosyluronic acid)-(1->4)-2-deoxy-2-sulfoamino-alpha-D-glucopyranosyl]|poly[(1->4)-alpha-L-iduronosyl-(1->4)-N-sulfo-alpha-D-glucosaminyl] http://purl.obolibrary.org/obo/CHEBI_17174 3_STAR
CHEBI:171741 biolink:ChemicalSubstance cerulenin An epoxydodecadienamide isolated from several species, including Acremonium, Acrocylindrum and Helicoceras. It inhibits the biosynthesis of several lipids by interfering with enzyme function. Beilstein:4807182|CAS:17397-89-6|DrugBank:DB01034|Drug_Central:578|KEGG:C12058|KNApSAcK:C00018711 phenio.json (2R,3S)-3-((4E,7E)-Nona-4,7-dienoyl)-oxirane-2-carboxylic acid amide|(2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)oxirane-2-carboxamide|(2R,3S)-3-[(4E,7E)-nona-4,7-dienoyl]oxirane-2-carboxamide|Cerulenin http://purl.obolibrary.org/obo/CHEBI_171741 3_STAR
CHEBI:17175 biolink:ChemicalSubstance guanidinoethyl methyl phosphate An organic phosphate that consists of phosphoethanolamine bearing N-amidino and O-methyl substituents. KEGG:C04071|Reaxys:2692661 phenio.json 2-(carbamimidamido)ethyl methyl hydrogen phosphate|Guanidinoethyl methyl phosphate http://purl.obolibrary.org/obo/CHEBI_17175 3_STAR
CHEBI:17176 biolink:ChemicalSubstance long-chain fatty aldehyde A fatty aldehyde that has a chain length ranging from C13 to C22. KEGG:C00609 phenio.json a long-chain fatty aldehyde|long-chain fatty aldehydes http://purl.obolibrary.org/obo/CHEBI_17176 3_STAR
CHEBI:17177 biolink:ChemicalSubstance cinnamyl alcohol A primary alcohol comprising an allyl core with a hydroxy substituent at the 1-position and a phenyl substituent at the 3-position (geometry of the C=C bond unspecified). CAS:104-54-1|Gmelin:27238|HMDB:HMDB0029697|KEGG:C02394|KNApSAcK:C00042390|MetaCyc:CINNAMYL-ALC|PMID:23421457|PMID:24190481|Reaxys:1903999|Wikipedia:Cinnamyl_alcohol phenio.json 3-Phenyl-2-propen-1-ol|3-phenyl-2-propen-1-ol|3-phenylprop-2-en-1-ol|Cinnamyl alcohol|Styrylcarbinol|Zimtalcohol|cinnamyl alcohol http://purl.obolibrary.org/obo/CHEBI_17177 3_STAR
CHEBI:17179 biolink:ChemicalSubstance taurolithocholate KEGG:C02592 phenio.json 2-[(3alpha-hydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate|taurolithocholate http://purl.obolibrary.org/obo/CHEBI_17179 3_STAR
CHEBI:17180 biolink:ChemicalSubstance 3-hydroxypyruvate A hydroxy monocarboxylic acid anion that results from the deprotonation of the carboxylic acid group of 3-hydroxypyruvic acid. KEGG:C00168|MetaCyc:OH-PYR|Reaxys:3904014 phenio.json 3-hydroxy-2-oxopropanoate|3-hydroxypyruvate http://purl.obolibrary.org/obo/CHEBI_17180 3_STAR
CHEBI:17181 biolink:ChemicalSubstance 5-(4-acetoxybut-1-ynyl)-2,2'-bithiophene Beilstein:1288732|CAS:1219-28-9|KEGG:C04485 phenio.json 4-(2,2'-bithien-5-yl)but-3-yn-1-yl acetate|4-(5-(2-thienyl)-2-thienyl)-3-butyn-1-ol acetate|5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene|5-(4-acetoxybut-1-ynyl)-2,2'-bithiophene http://purl.obolibrary.org/obo/CHEBI_17181 3_STAR
CHEBI:17183 biolink:ChemicalSubstance sanguinarine BPDB:2914|CAS:2447-54-3|KEGG:C06162|KNApSAcK:C00001917|KNApSAcK:C00024663|LINCS:LSM-6639|PMID:19346183 phenio.json 13-methyl-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridinium|13-methyl[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridinium|Sanguinarine|sanguinarine http://purl.obolibrary.org/obo/CHEBI_17183 3_STAR
CHEBI:17184 biolink:ChemicalSubstance chlordecone alcohol Beilstein:2160427|CAS:1034-41-9|KEGG:C02817 phenio.json 1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-1H-1,3,4-(methanetriyl)cyclobuta[cd]pentalen-2-ol|1,2,3,4,6,7,8,9,10,10-decachloropentacyclo[5.3.0.0(2,6).0(3,9).0(4,8)]decan-5-ol|Chlordecone alcohol|chlordecone alcohol|reduced kepone http://purl.obolibrary.org/obo/CHEBI_17184 3_STAR
CHEBI:17185 biolink:ChemicalSubstance 2,3,5-trihydroxytoluene CAS:767-81-7|KEGG:C03338|UM-BBD_compID:c0156 phenio.json 2,3,5-Trihydroxytoluene|2,3,5-trihydroxytoluene|6-Methylbenzene-1,2,4-triol|6-methylbenzene-1,2,4-triol http://purl.obolibrary.org/obo/CHEBI_17185 3_STAR
CHEBI:171868 biolink:ChemicalSubstance 11,12-Epoxyeicosatrienoic acid CAS:81276-02-0|Chemspider:4510033|HMDB:HMDB0004673|KEGG:C14770|LIPID_MAPS_instance:LMFA03090011 phenio.json (5E,8E)-10-[3-[(E)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid http://purl.obolibrary.org/obo/CHEBI_171868 2_STAR
CHEBI:17187 biolink:ChemicalSubstance pinene KEGG:C06077 phenio.json Pinene|pinene http://purl.obolibrary.org/obo/CHEBI_17187 3_STAR
CHEBI:17188 biolink:ChemicalSubstance nucleoside 5'-monophosphate KEGG:C01329|KEGG:C02520 phenio.json NMP|Nucleoside monophosphate|Nucleoside phosphate|nucleoside monophosphate|nucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_17188 3_STAR
CHEBI:17189 biolink:ChemicalSubstance 2,5-dihydroxybenzoic acid A dihydroxybenzoic acid having the two hydroxy groups at the 2- and 5-positions. CAS:490-79-9|Drug_Central:3260|HMDB:HMDB0000152|KEGG:C00628|KNApSAcK:C00002648|LINCS:LSM-19031|MetaCyc:CPD-633|PDBeChem:GTQ|PMID:15862799|PMID:18314336|PMID:22770225|PMID:24547933|Reaxys:2209119|Wikipedia:Gentisic_acid phenio.json 2,5-Dihydroxybenzoate|2,5-Dihydroxybenzoic acid|2,5-dihydroxybenzoic acid|5-hydroxysalicylic acid|Gentisate|Gentisic acid|Hydroquinonecarboxylic acid http://purl.obolibrary.org/obo/CHEBI_17189 3_STAR
CHEBI:171895 biolink:ChemicalSubstance Homodihydrojasmone Chemspider:9312845|HMDB:HMDB0031181 phenio.json 2-hexyl-3-methylcyclopent-2-en-1-one http://purl.obolibrary.org/obo/CHEBI_171895 2_STAR
CHEBI:17191 biolink:ChemicalSubstance L-isoleucine The L-enantiomer of isoleucine. CAS:73-32-5|DrugBank:DB00167|Drug_Central:4129|ECMDB:ECMDB00172|Gmelin:486381|HMDB:HMDB0000172|KEGG:C00407|KEGG:D00065|KNApSAcK:C00001374|MetaCyc:ILE|PDBeChem:ILE|PMID:14651987|PMID:16140883|PMID:17299083|PMID:17409434|PMID:22298573|PMID:24284437|PMID:24406630|PMID:24738868|PMID:24831709|Reaxys:1721792|Wikipedia:Isoleucine|YMDB:YMDB00038 phenio.json (2S,3S)-2-amino-3-methylpentanoic acid|2-Amino-3-methylvaleric acid|I|ISOLEUCINE|Ile|L-Isoleucine|L-isoleucine|alpha-amino-beta-methylvaleric acid http://purl.obolibrary.org/obo/CHEBI_17191 3_STAR
CHEBI:17192 biolink:ChemicalSubstance 3,5-dibromo-4-hydroxybenzonitrile A dibromobenzene that is 2,6-dibromophenol substituted by a cyano group at position 4. Beilstein:2364039|CAS:1689-84-5|Gmelin:1473439|KEGG:C04178|PMID:11910467|PMID:24458090|PPDB:96|Pesticides:bromoxynil|UM-BBD_compID:c0480|Wikipedia:Bromoxynil phenio.json 2,6-dibromo-4-cyanophenol|3,5-Dibromo-4-hydroxybenzonitrile|3,5-dibromo-4-hydroxybenzonitrile|bromoxynil http://purl.obolibrary.org/obo/CHEBI_17192 3_STAR
CHEBI:17193 biolink:ChemicalSubstance ADP-aldose KEGG:C01547 phenio.json ADP-aldose|ADP-aldoses http://purl.obolibrary.org/obo/CHEBI_17193 3_STAR
CHEBI:17194 biolink:ChemicalSubstance bromochloromethane A halomethane that is chloromethane in which one of the hydrogens has been replaced by a bromine atom. CAS:74-97-5|Gmelin:25577|KEGG:C02661|MetaCyc:CPD-614|PMID:19243639|PMID:22719758|PMID:23638678|Reaxys:1730801|Wikipedia:Bromochloromethane phenio.json Bromochloromethane|Methylene chlorobromide|bromo(chloro)methane|bromochloromethane|chlorobromomethane|chloromethyl bromide|monochloromonobromomethane http://purl.obolibrary.org/obo/CHEBI_17194 3_STAR
CHEBI:17196 biolink:ChemicalSubstance L-asparagine An optically active form of asparagine having L-configuration. CAS:70-47-3|DrugBank:DB00174|Drug_Central:4126|ECMDB:ECMDB00168|FooDB:FDB000787|Gmelin:3334|HMDB:HMDB0000168|KEGG:C00152|KNApSAcK:C00001341|MetaCyc:ASN|PDBeChem:ASN|PMID:12142634|PMID:15907185|PMID:16190636|PMID:16368161|PMID:16668324|PMID:17497286|PMID:21800258|PMID:21854356|PMID:22513289|Reaxys:1723527|Wikipedia:Asparagine|YMDB:YMDB00226 phenio.json (2S)-2,4-diamino-4-oxobutanoic acid|(2S)-2-amino-3-carbamoylpropanoic acid|(S)-2-amino-3-carbamoylpropanoic acid|(S)-Asparagine|2-Aminosuccinamic acid|ASPARAGINE|Asn|Aspartamic acid|L-2-aminosuccinamic acid|L-Asparagin|L-Asparagine|L-asparagine|L-aspartic acid beta-amide|N|alpha-aminosuccinamic acid http://purl.obolibrary.org/obo/CHEBI_17196 3_STAR
CHEBI:17197 biolink:ChemicalSubstance 1-alkylglycerone 3-phosphate A glycerone 3-phosphate having an unspecified O-alkyl substituent at the 1-position. KEGG:C03715 phenio.json 1-alkylglycerone 3-phosphates|Alkyl-glycerone 3-phosphate|Dihydroxyacetone phosphate alkyl ether|O-Alkylglycerone phosphate|O-alkylglycerone phosphates http://purl.obolibrary.org/obo/CHEBI_17197 3_STAR
CHEBI:17198 biolink:ChemicalSubstance dolichyl N-acetyl-alpha-D-glucosaminyl phosphate KEGG:C04678 phenio.json Dolichyl N-acetyl-alpha-D-glucosaminyl phosphate|alpha-(3-methylbut-2-en-1-yl)-omega-{4-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyloxy)(hydroxy)phosphoryloxy]-2-methylbutyl}poly[(2E)-2-methylbut-2-ene-1,4-diyl] http://purl.obolibrary.org/obo/CHEBI_17198 3_STAR
CHEBI:17199 biolink:ChemicalSubstance 4,5-dihydroxyphthalic acid CAS:63958-66-7|KEGG:C03233|UM-BBD_compID:c0183 phenio.json 4,5-Dihydroxyphthalate|4,5-Dihydroxyphthalic acid|4,5-dihydroxyphthalic acid http://purl.obolibrary.org/obo/CHEBI_17199 3_STAR
CHEBI:17200 biolink:ChemicalSubstance UDP-alpha-D-glucuronic acid A UDP-sugar having alpha-D-glucuronic acid as the sugar component. CAS:2616-64-0|HMDB:HMDB0000935|KEGG:C00167|KEGG:G10612|KNApSAcK:C00007238|PDBeChem:UGA|PMID:11420884|PMID:13984680|PMID:14351193|PMID:16300963|PMID:19375693|PMID:19564155|Reaxys:78881|Wikipedia:Uridine_diphosphate_glucuronic_acid phenio.json UDP-D-glucuronate|UDP-alpha-D-glucuronate|UDPglucuronate|URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID|uridine 5'-[3-(alpha-D-glucopyranuronosyl) dihydrogen diphosphate]|uridine diphosphate glucuronic acid http://purl.obolibrary.org/obo/CHEBI_17200 3_STAR
CHEBI:17201 biolink:ChemicalSubstance glycylglycine A dipeptide formed from glycine residues. CAS:556-50-3|Gmelin:82735|HMDB:HMDB0011733|KEGG:C02037|MetaCyc:GLYCYLGLYCINE|PMID:15283580|PMID:872518|Reaxys:1765223|Wikipedia:Glycylglycine phenio.json 2-(aminoacetamido)acetic acid|Gly-Gly|Gly2|Glycylglycine|N-glycylglycine|[(aminoacetyl)amino]acetic acid|glycine dipeptide|glycylglycine http://purl.obolibrary.org/obo/CHEBI_17201 3_STAR
CHEBI:17202 biolink:ChemicalSubstance IMP A purine ribonucleoside 5'-monophosphate having hypoxanthine as the nucleobase. CAS:131-99-7|DrugBank:DB04566|Gmelin:528845|HMDB:HMDB0000175|KEGG:C00130|KNApSAcK:C00007224|MetaCyc:IMP|PDBeChem:IMP|PMID:7877593|Reaxys:630517|Wikipedia:Inosinic_acid phenio.json 2'-inosine-5'-monophosphate|5'-IMP|5'-Inosinate|5'-Inosine monophosphate|5'-Inosinic acid|5'-inosinic acid|IMP|Inosine 5'-monophosphate|Inosine 5'-phosphate|Inosine monophosphate|Inosinic acid|hypoxanthosine 5'-monophosphate|inosinic acid|ribosylhypoxanthine monophosphate http://purl.obolibrary.org/obo/CHEBI_17202 3_STAR
CHEBI:17203 biolink:ChemicalSubstance L-proline Pyrrolidine in which the pro-S hydrogen at position 2 is substituted by a carboxylic acid group. L-Proline is the only one of the twenty DNA-encoded amino acids which has a secondary amino group alpha to the carboxyl group. It is an essential component of collagen and is important for proper functioning of joints and tendons. It also helps maintain and strengthen heart muscles. CAS:147-85-3|DrugBank:DB00172|Drug_Central:4125|Gmelin:50152|HMDB:HMDB0000162|KEGG:C00148|KEGG:D00035|KNApSAcK:C00001388|MetaCyc:PRO|PDBeChem:PRO|PMID:11076505|PMID:12770004|PMID:14975886|PMID:15576824|PMID:15838615|PMID:15894682|PMID:15973048|PMID:16033917|PMID:16190672|PMID:16501220|PMID:16656443|PMID:16657874|PMID:16668324|PMID:17127472|PMID:17608428|PMID:18551589|PMID:18802692|PMID:18973300|PMID:19215998|PMID:19580280|PMID:19656302|PMID:19688381|PMID:19811425|PMID:22139509|PMID:22201772|PMID:22451406|PMID:22475019|PMID:22482728|PMID:22491679|PMID:22770225|Reaxys:80810|Wikipedia:L-proline phenio.json (-)-(S)-proline|(-)-2-pyrrolidinecarboxylic acid|(-)-proline|(2S)-pyrrolidine-2-carboxylic acid|(S)-2-carboxypyrrolidine|(S)-2-pyrrolidinecarboxylic acid|(S)-pyrrolidine-2-carboxylic acid|2-Pyrrolidinecarboxylic acid|L-(-)-proline|L-Prolin|L-Proline|L-alpha-pyrrolidinecarboxylic acid|L-proline|L-pyrrolidine-2-carboxylic acid|P|PROLINE|prolina|proline|prolinum http://purl.obolibrary.org/obo/CHEBI_17203 3_STAR
CHEBI:17204 biolink:ChemicalSubstance 4,5-dioxopentanoic acid A dioxo monocarboxylic acid consisting of a valeric acid core with the two oxo groups at the 4- and 5-positions. KEGG:C02800|PDBeChem:HKV phenio.json 4,5-Dioxopentanoate|4,5-dioxopentanoic acid|4-Oxoglutarate semialdehyde|4-oxoglutarate semialdehyde http://purl.obolibrary.org/obo/CHEBI_17204 3_STAR
CHEBI:17206 biolink:ChemicalSubstance 9,11alpha-epoxypregn-4-ene-3,20-dione An epoxy steroid that is pregn-4-ene-3,20-dione which has an epoxy group whose oxygen is attached to the 9alpha and 11alpha-positions. Beilstein:5763507|KEGG:C04379 phenio.json 9,11alpha-Epoxypregn-4-ene-3,20-dione|9,11alpha-dihydrooxireno[2',3':9,11]pregn-4-ene-3,20-dione|9,11alpha-epoxypregn-4-ene-3,20-dione http://purl.obolibrary.org/obo/CHEBI_17206 3_STAR
CHEBI:17207 biolink:ChemicalSubstance 2-methylideneglutaric acid A dicarboxylic acid comprising a glutaric acid core with a methylene group at the 2-position. KEGG:C02930 phenio.json 2-Methyleneglutarate|2-methylidenepentanedioic acid http://purl.obolibrary.org/obo/CHEBI_17207 3_STAR
CHEBI:17209 biolink:ChemicalSubstance dihydrosanguinarine A benzophenanthridine alkaloid obtained by selective hydrogenation of the 13,14-position of sanguinarine. CAS:3606-45-9|KEGG:C05191|KNApSAcK:C00001847|KNApSAcK:C00024647|PMID:11488455|PMID:11488467|PMID:12898646|PMID:17260290|PMID:18309269|PMID:18420297|PMID:18495316|PMID:19346183|PMID:19578993|PMID:19629460|PMID:19647059|PMID:19873781|PMID:20226485|PMID:20385218|PMID:20600683|PMID:20683512|PMID:20686258|PMID:21500094|Reaxys:48770 phenio.json 13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine|13,14-dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine|13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine|Dihydrosanguinarine|dihydroavicine|dihydrosanguinarine http://purl.obolibrary.org/obo/CHEBI_17209 3_STAR
CHEBI:17210 biolink:ChemicalSubstance (S)-4-hydroxymandelate KEGG:C03198 phenio.json (2S)-hydroxy(4-hydroxyphenyl)acetate|(S)-4-hydroxymandelate http://purl.obolibrary.org/obo/CHEBI_17210 3_STAR
CHEBI:17211 biolink:ChemicalSubstance geranyl diphosphate The diphosphate of the polyprenol compound geraniol. CAS:763-10-0|DrugBank:DB02552|KEGG:C00341|KNApSAcK:C00000846|LIPID_MAPS_instance:LMPR0102010001|PDBeChem:GPP|PMID:19049370|PMID:19856009|PMID:23607888|PMID:7753173|Reaxys:1915690 phenio.json (2E)-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate|GERANYL DIPHOSPHATE|Geranyl diphosphate|geranyl pyrophosphate http://purl.obolibrary.org/obo/CHEBI_17211 3_STAR
CHEBI:17212 biolink:ChemicalSubstance 1,2-dihydroxydibenzothiophene Dibenzothiophene substituted at positions 1 and 2 by hydroxy groups. KEGG:C06722|MetaCyc:12-DIHYDROXYDIBENZOTHIOPHENE|UM-BBD_compID:c0196 phenio.json 1,2-Dihydroxydibenzothiophene|1,2-dihydroxydibenzothiophene|dibenzo[b,d]thiophene-1,2-diol|dibenzothiophene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_17212 3_STAR
CHEBI:17213 biolink:ChemicalSubstance D-lysopine The N(2)-(R)-1-carboxyethyl derivative of L-lysine. CAS:34522-31-1|KEGG:C04020|KNApSAcK:C00001544 phenio.json (R)-N(2)-(1-Carboxyethyl)-L-lysine|D-Lysopine|D-lysopine|Lysopine|N(2)-(D-1-carboxyethyl)-L-lysine|N(2)-[(1R)-1-carboxyethyl]-L-lysine|N2-(D-1-Carboxyethyl)-L-lysine http://purl.obolibrary.org/obo/CHEBI_17213 3_STAR
CHEBI:17215 biolink:ChemicalSubstance methyl L-tyrosinate An L-tyrosyl ester that is the methyl ester of L-tyrosine. CAS:1080-06-4|HMDB:HMDB0029217|KEGG:C03404|PMID:12459019|PMID:24434201|PMID:3656360|PMID:8385625|Reaxys:2372626 phenio.json 2-Amino-3-(4-hydroxy-phenyl)-propionic acid methyl ester|L-Tyrosine methyl ester|L-tyrosine methyl ester|Tyr-OMe|Tyrosine methyl ester|methyl L-tyrosinate http://purl.obolibrary.org/obo/CHEBI_17215 3_STAR
CHEBI:17216 biolink:ChemicalSubstance oxidized Cypridina luciferin KEGG:C03887 phenio.json 1-(3-{6-(1H-indol-3-yl)-3-[(2S)-2-methylbutanamido]pyrazin-2-yl}propyl)guanidine|Oxidized Cypridina luciferin http://purl.obolibrary.org/obo/CHEBI_17216 3_STAR
CHEBI:17217 biolink:ChemicalSubstance 2-butenoic acid A butenoic acid having the double bond at position C-2. CAS:3724-65-0|Gmelin:324286|KEGG:C01771|Reaxys:1098434 phenio.json 2-Butenoate|2-Butenoic acid|2-butenic acid|3-methylacrylic acid|CTA|Crotonic acid|Crotonsaeure|acide crotonique|alpha-butenoic acid|alpha-crotonic acid|beta-methacrylic acid|beta-methylacrylic acid|but-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_17217 3_STAR
CHEBI:17219 biolink:ChemicalSubstance limonene-1,2-diol Beilstein:2553629|CAS:1946-00-5|KEGG:C07276|KEGG:C18020 phenio.json 1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-|1-Methyl-4-(1-methylethenyl)-1,2-cyclohexanediol|1-Methyl-4-(1-methylvinyl)cyclohexane-1,2-diol|1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol|Limonene-1,2-diol|Menth-8-ene-1,2-diol|limonene-1,2-diol|p-Menth-8(9)-ene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_17219 3_STAR
CHEBI:1722 biolink:ChemicalSubstance 3beta-hydroxy-Delta(5)-steroid Any 3beta-hydroxy-steroid that contains a double bond between positions 5 and 6. KEGG:C03836|MetaCyc:3b-hydroxy-D5-steroids phenio.json 3beta-hydroxy Delta(5)-steroids|3beta-hydroxy-Delta(5)-steroids|a 3beta-hydroxy-Delta(5)-steroid http://purl.obolibrary.org/obo/CHEBI_1722 3_STAR
CHEBI:17221 biolink:ChemicalSubstance beta-myrcene A monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. CAS:123-35-3|Gmelin:279258|HMDB:HMDB0038169|KEGG:C06074|KNApSAcK:C00000853|LIPID_MAPS_instance:LMPR0102010005|MetaCyc:CPD-4888|PMID:15299125|PMID:25280163|PMID:25503374|PMID:25622554|PMID:25909988|PMID:27439360|PMID:9268308|Reaxys:1719990|Wikipedia:Myrcene phenio.json 7-methyl-3-methylene-1,6-octadiene|7-methyl-3-methyleneocta-1,6-diene|7-methyl-3-methylideneocta-1,6-diene|Myrcene|beta-Myrcene|beta-myrcene http://purl.obolibrary.org/obo/CHEBI_17221 3_STAR
CHEBI:17223 biolink:ChemicalSubstance polyprenyl glucosyl phosphate phenio.json polyprenyl glucosyl phosphates http://purl.obolibrary.org/obo/CHEBI_17223 3_STAR
CHEBI:17224 biolink:ChemicalSubstance 4-methylumbelliferone A hydroxycoumarin that is umbelliferone substituted by a methyl group at position 4. CAS:90-33-5|Drug_Central:1401|Gmelin:165817|HMDB:HMDB0059622|KEGG:C03081|KEGG:D00170|LINCS:LSM-3025|MetaCyc:CPD-182|PDBeChem:4MU|PMID:12419303|PMID:1650428|PMID:17470403|PMID:20332231|PMID:23124556|PMID:23228386|PMID:24080584|PMID:26548718|Reaxys:142217|Wikipedia:Hymecromone phenio.json 4-MU|4-Methyl-7-hydroxycoumarin|4-Methylumbelliferone|4-methylumbelliferone|7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran|7-Hydroxy-4-methyl-2-oxo-3-chromene|7-Hydroxy-4-methyl-2H-1-benzopyran-2-one|7-Hydroxy-4-methylcoumarin|7-hydroxy-4-methyl-2H-chromen-2-one|Hymecromone|Imecromone|beta-Methylumbelliferone|himecromona|hymecromone|hymecromonum http://purl.obolibrary.org/obo/CHEBI_17224 3_STAR
CHEBI:17225 biolink:ChemicalSubstance salutaridine A morphinane alkaloid from the opium poppy, in which the 5,6,8,14-tetradehydromorphinan-7-one skeleton is substituted at position 4 by a hydroxyl group, positions 3 and 6 by methoxy groups and position N17 by a methyl group. An intermediate in the biosynthesis of narcotic analgesics such as morphine and codeine. Beilstein:4788633|CAS:1936-18-1|KEGG:C05179|KNApSAcK:C00001916|PMID:17226487|PMID:17611928|Reaxys:1630083|Wikipedia:Salutaridine phenio.json 4-hydroxy-3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-7-one|5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one|Salutaridine|Sinoacutine http://purl.obolibrary.org/obo/CHEBI_17225 3_STAR
CHEBI:17226 biolink:ChemicalSubstance rosmarinic acid The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid. CAS:537-15-5|PMID:12482446|PMID:20071057|PMID:21364781|PMID:21838541|PMID:22236574|PMID:22439433|PMID:23016274|PMID:23116643|PMID:23122135|PMID:23381830|PMID:23414442|PMID:23548128|PMID:24085626|PMID:24097334|PMID:24262570 phenio.json 3-(3,4-dihydroxyphenyl)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid|R-(+)-2-(3,4-Dihydroxycinnamoyloxy)-3-(3,4-dihydroxyphenyl)propionic acid|alpha-(((3,4-Dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy- benzenepropanoic acid http://purl.obolibrary.org/obo/CHEBI_17226 3_STAR
CHEBI:17228 biolink:ChemicalSubstance taurocyamine The N-amidino derivative of taurine. Beilstein:1775583|CAS:543-18-0|KEGG:C01959|PDBeChem:3S5 phenio.json 2-(carbamimidamido)ethanesulfonic acid|2-{[amino(imino)methyl]amino}ethanesulfonic acid|N-(aminoiminomethyl) taurine|Taurocyamine|guanidinoethane sulfonic acid http://purl.obolibrary.org/obo/CHEBI_17228 3_STAR
CHEBI:17229 biolink:ChemicalSubstance 5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene Beilstein:1320331|KEGG:C04711 phenio.json 1-acetoxy-4-[2,2']bithiophenyl-5-ylbut-3-yn-2-ol|4-(2,2'-bithien-5-yl)-2-hydroxybut-3-yn-1-yl acetate|5-(3-Hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene|5-(3-hydroxy-4-acetoxybut-1-ynyl)-2,2'-bithiophene http://purl.obolibrary.org/obo/CHEBI_17229 3_STAR
CHEBI:17230 biolink:ChemicalSubstance homocysteine A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain. HMDB:HMDB0000742|KEGG:C05330|PMID:11133260|PMID:16596805|PMID:18370634|Wikipedia:Homocysteine phenio.json 2-Amino-4-mercaptobutyric acid|2-amino-4-sulfanylbutanoic acid|Hcy|Homocysteine|homocysteine http://purl.obolibrary.org/obo/CHEBI_17230 3_STAR
CHEBI:17231 biolink:ChemicalSubstance m-cresol A cresol with the methyl substituent at position 3. It is a minor urinary metabolite of toluene. CAS:108-39-4|DrugBank:DB01776|Gmelin:101411|HMDB:HMDB0002048|KEGG:C01467|KEGG:D04951|MetaCyc:CPD-112|PDBeChem:CRS|PMID:15687000|PMID:23190556|Reaxys:506719|UM-BBD_compID:c0282|Wikipedia:M-cresol phenio.json 1-hydroxy-3-methylbenzene|3-Cresol|3-Hydroxytoluene|3-methylphenol|M-CRESOL|m-Cresol|m-Kresol|m-methylphenol|meta-cresol|metacresol http://purl.obolibrary.org/obo/CHEBI_17231 3_STAR
CHEBI:17232 biolink:ChemicalSubstance L-glutamic 5-semialdehyde A glutamic semialdehyde arising from formal reduction of the side-chain carboxy group of L-glutamic acid. Beilstein:1704370|CAS:496-92-4|KEGG:C01165|KNApSAcK:C00007475 phenio.json (2S)-2-amino-5-oxopentanoic acid|5-oxo-L-norvaline|L-Glutamate 5-semialdehyde|L-Glutamate gamma-semialdehyde http://purl.obolibrary.org/obo/CHEBI_17232 3_STAR
CHEBI:17233 biolink:ChemicalSubstance (3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione Beilstein:5356455 phenio.json (3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione http://purl.obolibrary.org/obo/CHEBI_17233 3_STAR
CHEBI:172333 biolink:ChemicalSubstance HET0016 Chemspider:2009610|PDBeChem:V16 phenio.json N'-(4-butyl-2-methylphenyl)-N-hydroxymethanimidamide http://purl.obolibrary.org/obo/CHEBI_172333 2_STAR
CHEBI:17234 biolink:ChemicalSubstance glucose An aldohexose used as a source of energy and metabolic intermediate. CAS:50-99-7|KEGG:C00293|Wikipedia:Glucose phenio.json DL-glucose|Glc|Glucose|Glukose|gluco-hexose|glucose http://purl.obolibrary.org/obo/CHEBI_17234 3_STAR
CHEBI:17236 biolink:ChemicalSubstance 2-hydroxy-6-oxohexa-2,4-dienoic acid A muconic semialdehyde having a hydroxy substituent at the 2-position. CAS:3270-98-2|KEGG:C00682|UM-BBD_compID:c0107 phenio.json 2-Hydroxymuconate semialdehyde|2-Hydroxymuconic semialdehyde|2-hydroxy-6-oxohexa-2,4-dienoic acid|2-hydroxymuconic semialdehyde http://purl.obolibrary.org/obo/CHEBI_17236 3_STAR
CHEBI:17237 biolink:ChemicalSubstance (E)-4-(trimethylammonio)but-2-enoate Beilstein:4377338|CAS:927-89-9|KEGG:C04114 phenio.json (2E)-4-(trimethylammonio)but-2-enoate|(3-carboxyallyl)trimethylammonium hydroxide, inner salt|Crotonsaeurebetain|croton betaine|crotonic acid betaine|crotonobetaine http://purl.obolibrary.org/obo/CHEBI_17237 3_STAR
CHEBI:17239 biolink:ChemicalSubstance CDP A pyrimidine ribonucleoside 5'-diphosphate having cytosine as the nucleobase. CAS:63-38-7|DrugBank:DB04555|KEGG:C00112|PDBeChem:CDF|PDBeChem:CDP phenio.json 5'-CDP|CDP|CYTIDINE-5'-DIPHOSPHATE|Cytidine 5'-diphosphate|Cytidine 5'-diphosphoric acid|Cytidine 5'-pyrophosphate|Cytidine diphosphate|Cytidine, 5'-(trihydrogen pyrophosphate)|cytidine 5'-(trihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_17239 3_STAR
CHEBI:172390 biolink:ChemicalSubstance glycol ether A hydroxyether which contains both an ether and alcohol functional groups. It is one of the most versatile classes of organic solvents which are commonly used in paints, cleaners, adhesives, pharmaceuticals and cosmetics. PMID:28650840|PMID:29536623|PMID:30471335|PMID:31518935|PMID:32172156|Wikipedia:Glycol_ethers phenio.json glycol ethers http://purl.obolibrary.org/obo/CHEBI_172390 3_STAR
CHEBI:17240 biolink:ChemicalSubstance itaconate(2-) A dicarboxylic acid dianion that results from the deprotonation of both of the carboxylic acid groups of itaconic acid. CAS:2964-00-3|Gmelin:327340|KEGG:C00490|MetaCyc:ITACONATE|Reaxys:3904702 phenio.json 2-methylidenebutanedioate|itaconate|methylenesuccinate(2-)|methylenesuccinic acid, ion(2-) http://purl.obolibrary.org/obo/CHEBI_17240 3_STAR
CHEBI:172403 biolink:ChemicalSubstance 1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine zwitterion PMID:22941046 phenio.json 1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphoethanolamine|1,2-di-(9Z,12Z-octadecadienoyl)-sn-phosphatidylethanolamine zwitterion|PE(18:2(9Z,12Z)/18:2(9Z,12Z)) zwitterion http://purl.obolibrary.org/obo/CHEBI_172403 2_STAR
CHEBI:17241 biolink:ChemicalSubstance 1H-pyrazole The 1H-tautomer of pyrazole. CAS:288-13-1|DrugBank:DB02757|Gmelin:1360|KEGG:C00481|PDBeChem:PZO|Reaxys:103775 phenio.json 1,2-Diazole|1H-Pyrazol|1H-pyrazole|Hpz|PYRAZOLE|Pyrazole|pyrazole http://purl.obolibrary.org/obo/CHEBI_17241 3_STAR
CHEBI:17242 biolink:ChemicalSubstance dehydroascorbic acid CAS:7723-73-1 phenio.json 5-(1,2-dihydroxyethyl)furan-2,3,4(5H)-trione|Dehydroascorbate|Dehydroascorbic acid|dehydroascorbates http://purl.obolibrary.org/obo/CHEBI_17242 3_STAR
CHEBI:17243 biolink:ChemicalSubstance mono(2-ethylhexyl) phthalate The mono(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. Beilstein:3206630|CAS:4376-20-9|KEGG:C03343|LINCS:LSM-36855 phenio.json (2-ethylhexyl) hydrogen phthalate|1,2-benzenedicarboxylic acid, mono(2-ethylhexyl) ester|2-(2-ethylhexyloxycarbonyl)benzoic acid|2-([(2-ethylhexyl)oxy]carbonyl)benzoic acid|2-Ethylhexyl phthalate|2-ethylhexyl hydrogen phthalate|MEHP|mono(2-ethylhexyl)phthalate|mono-(2-ethylhexyl)phthalate|mono-2-ethylhexyl phthalate|monoethylhexyl phthalate|phthalic acid, 2-ethylhexyl ester http://purl.obolibrary.org/obo/CHEBI_17243 3_STAR
CHEBI:17244 biolink:ChemicalSubstance 5,6-dihydroquinoline-2,5,6-triol KEGG:C06339 phenio.json 2,5,6-Trihydroxy-5,6-dihydroquinoline|5,6-dihydroquinoline-2,5,6-triol http://purl.obolibrary.org/obo/CHEBI_17244 3_STAR
CHEBI:17245 biolink:ChemicalSubstance carbon monoxide A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. Beilstein:1900508|Beilstein:3535285|Beilstein:3587264|CAS:630-08-0|Gmelin:421|HMDB:HMDB0001361|KEGG:C00237|KEGG:D09706|MetaCyc:CARBON-MONOXIDE|MolBase:753|PDBeChem:CMO|PMID:10085152|PMID:10679539|PMID:11572959|PMID:14527438|PMID:14563665|PMID:15127883|PMID:15598489|PMID:16371440|PMID:16520836|PMID:17041734|PMID:18094356|PMID:19909254|PMID:23762709|PMID:7022476|PMID:8240252|PMID:8620577|UM-BBD_compID:c0369|Wikipedia:Carbon_monoxide phenio.json C#O|CARBON MONOXIDE|CO|Carbon monoxide|[CO]|carbon monooxide|carbon monoxide|carbon(II) oxide http://purl.obolibrary.org/obo/CHEBI_17245 3_STAR
CHEBI:17246 biolink:ChemicalSubstance poly(vinyl alcohol) macromolecule A homopolymer macromolecule obtained by polymerisation of vinyl alcohol. CAS:9002-89-5|KEGG:C00980|KEGG:D02320|PMID:21628086|PMID:21680612|PMID:22036988|PMID:22040352|PMID:22252656|PMID:22275820|PMID:22278052|PMID:22370251|PMID:22435602|PMID:22514196|PMID:22592478|PMID:22748429|PMID:22789109|PMID:22793061|PMID:22849091|PMID:23012555|PMID:23039272|Wikipedia:Poly(vinyl_alcohol) phenio.json PVA|Polyvinyl alcohol|a polyvinyl alcohol|poly(1-hydroxyethylene)|poly(vinyl alcohol) http://purl.obolibrary.org/obo/CHEBI_17246 3_STAR
CHEBI:17247 biolink:ChemicalSubstance N-isopropylammelide A dihydroxy-1,3,5-triazine consisting of ammelide bearing an N-isopropyl substituent. CAS:35200-63-6|KEGG:C06553|PMID:17660279|PMID:18237303|PMID:19581468|PMID:9422605|Reaxys:515389|UM-BBD_compID:c0162 phenio.json 6-(isopropylamino)-1,3,5-triazine-2,4-diol|N-Isopropylammelide|N-isopropylammelide http://purl.obolibrary.org/obo/CHEBI_17247 3_STAR
CHEBI:17248 biolink:ChemicalSubstance 6-lactoyl-5,6,7,8-tetrahydropterin CAS:33405-80-0|HMDB:HMDB0002065|KEGG:C04244 phenio.json 2-amino-6-(2-hydroxypropanoyl)-5,6,7,8-tetrahydropteridin-4(3H)-one|2-amino-6-lactoyl-5,6,7,8-tetrahydropteridin-4(3H)-one|6-1'-Oxo-2'-hydroxypropyl tetrahydropterin|6-Lactoyl-5,6,7,8-tetrahydropterin|6-Lactoyltetrahydropterin http://purl.obolibrary.org/obo/CHEBI_17248 3_STAR
CHEBI:17249 biolink:ChemicalSubstance D-nopaline An amino acid opine resulting from the formal reductive condensation of the amino group of L-arginine with the keto group of 2-oxopentanedioic acid. CAS:22350-70-5|KEGG:C01682|KNApSAcK:C00001548 phenio.json (2R)-2-{[(1S)-4-carbamimidamido-1-carboxybutyl]amino}pentanedioic acid|(S)-N-(4-((Aminoiminomethyl)amino)-1-carboxybutyl)-D-glutamic acid|D-Nopaline|N(2)-(D-1,3-dicarboxypropyl)-L-arginine|N-[(1S)-4-carbamimidamido-1-carboxybutyl]-D-glutamic acid|N-[4-[(Aminoiminomethyl)amino]-1-carboxybutyl]-D-glutamic acid(ECL)|N2-(D-1,3-Dicarboxypropyl)-L-arginine|Nopaline http://purl.obolibrary.org/obo/CHEBI_17249 3_STAR
CHEBI:17250 biolink:ChemicalSubstance 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid A tricarboxylic acid that is the 2-oxo derivative of homocitric acid. KEGG:C04115 phenio.json 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid|4-carboxy-4-hydroxy-2-oxoadipic acid|4-hydroxy-4-carboxymethyl-2-oxoglutaric acid http://purl.obolibrary.org/obo/CHEBI_17250 3_STAR
CHEBI:17251 biolink:ChemicalSubstance pentalenene CAS:73306-73-7|KEGG:C01841|KNApSAcK:C00021799|Reaxys:3603613 phenio.json (+)-pentalenene|(1R,3aS,5aS,8aR)-1,2,3,3a,5a,6,7,8-octahydro-1,4,7,7-tetramethylcyclopenta[c]pentalene|(1R,3aS,5aS,8aR)-1,4,7,7-tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene|(1alpha,3a alpha,5a beta,8aR*)-1,2,3,3a,5a,6,7,8-octahydro-1,4,7,7-tetramethylcyclopenta(c)pentalene|Pentalenene|pentalenene http://purl.obolibrary.org/obo/CHEBI_17251 3_STAR
CHEBI:17252 biolink:ChemicalSubstance 17alpha-hydroxyprogesterone A 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. CAS:68-96-2|HMDB:HMDB0000374|KEGG:C01176|KEGG:D08052|LIPID_MAPS_instance:LMST02030161|MetaCyc:17-ALPHA-HYDROXYPROGESTERONE|PDBeChem:3QZ|PMID:1167988|PMID:12915667|PMID:14999215|PMID:15863951|PMID:17066953|PMID:17096820|PMID:17128559|PMID:18573861|PMID:19390483|PMID:25301938|PMID:28539365|PMID:28980354|PMID:4339047|PMID:4343782|PMID:4628727|PMID:4678211|PMID:4678212|PMID:5061166|PMID:5065810|PMID:5098538|PMID:518278|PMID:5571099|PMID:6632812|PMID:72488|PMID:8496956|PMID:9931518|Reaxys:2062088|Wikipedia:17-Hydroxyprogesterone|Wikipedia:Hydroxyprogesterone phenio.json 17-Hydroxypregn-4-en-3,20-dione|17-hydroxypregn-4-ene-3,20-dione|17-hydroxyprogesterone|17alpha-Hydroxy-4-pregnene-3,20-dione|17alpha-Hydroxy-progesterone|17alpha-Hydroxyprogesterone|17alpha-hydroxyprogesterone|Pregn-4-ene-3,20-dione-17-ol|delta(4)-Pregnene-17alpha-ol-3,20-dione|hidroxiprogesterona|hydroxyprogesterone|hydroxyprogesteronum http://purl.obolibrary.org/obo/CHEBI_17252 3_STAR
CHEBI:17253 biolink:ChemicalSubstance 1,2-benzoquinone A benzoquinone resulting from the formal oxidation of catechol. Beilstein:2038185|CAS:583-63-1|Gmelin:26767|KEGG:C02351|Wikipedia:1,2-Benzoquinone phenio.json 1,2-Benzoquinone|1,2-benzoquinone|2-benzoquinone|3,5-cyclohexadiene-1,2-dione|catechol quinone|cyclohexa-3,5-diene-1,2-dione|o-benzoquinone|o-quinone|ortho-benzoquinone http://purl.obolibrary.org/obo/CHEBI_17253 3_STAR
CHEBI:17254 biolink:ChemicalSubstance 4-methylcatechol A methylcatechol having a single methyl substituent at the 4-position. It has been isolated from Picea abies. CAS:452-86-8|DrugBank:DB04120|HMDB:HMDB0000873|KEGG:C06730|KNApSAcK:C00002660|PDBeChem:MCT|PMID:18499097|Reaxys:636512|UM-BBD_compID:c0126|Wikipedia:4-Methylcatechol phenio.json 1,2-Dihydroxy-4-methylbenzene|1,2-dihydroxy-4-methylbenzene|2-Hydroxy-4-methylphenol|3,4-Dihydroxytoluene|3,4-dihydroxytoluene|4-Methyl-1,2-benzenediol|4-Methyl-1,2-dihydroxybenzene|4-Methylcatechol|4-Methylpyrocatechol|4-methyl-1,2-benzenediol|4-methylbenzene-1,2-diol|4-methylcatechol|Homocatechol|Homopyrocatechol|Toluene-3,4-diol|p-Methylcatechol|p-Methylpyrocatechol http://purl.obolibrary.org/obo/CHEBI_17254 3_STAR
CHEBI:17255 biolink:ChemicalSubstance N-carbamoyl-D-alpha-amino acid Any N-carbamoyl-amino acid having D-configuration. KEGG:C05226|MetaCyc:N-Carbamoyl-D-Amino-Acids phenio.json http://purl.obolibrary.org/obo/CHEBI_17255 3_STAR
CHEBI:17256 biolink:ChemicalSubstance 2'-deoxyadenosine A purine 2'-deoxyribonucleoside having adenine as the nucleobase. CAS:958-09-8|Gmelin:283189|HMDB:HMDB0000101|KEGG:C00559|KNApSAcK:C00019281|MetaCyc:DEOXYADENOSINE|PDBeChem:3D1|PMID:14253484|PMID:18508186|PMID:24144081|PMID:8171392|PMID:9869364|Reaxys:91015|Wikipedia:Deoxyadenosine phenio.json (2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol|2'-Deoxyadenosine|2'-deoxyadenosine|5-(6-AMINO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL|9-(2-Deoxy-beta-D-erythro-pentofuranosyl)adenine|9-(2-deoxy-beta-D-ribofuranosyl)-9H-purin-6-amine|Deoxyadenosine|adenine deoxyribonucleoside|adenyldeoxyriboside|dA http://purl.obolibrary.org/obo/CHEBI_17256 3_STAR
CHEBI:17257 biolink:ChemicalSubstance bis-gamma-glutamylcystine The dimer obtained by formal oxidative coupling of gamma-glutamylcystine. KEGG:C03646 phenio.json 5,5'-{disulfanediylbis[(1-carboxyethane-2,1-diyl)imino]}bis(2-amino-5-oxopentanoic acid)|Bis-gamma-L-glutamyl-L-cystine|Bis-gamma-glutamylcystine|Oxidized gamma-L-glutamyl-L-cysteine|Oxidized gamma-glutamylcysteine http://purl.obolibrary.org/obo/CHEBI_17257 3_STAR
CHEBI:17258 biolink:ChemicalSubstance 7H-purine The 7H-tautomer of purine. Gmelin:601779|HMDB:HMDB0001366|KEGG:C15587|Reaxys:3200 phenio.json 7H-purine|Purine|Purine base http://purl.obolibrary.org/obo/CHEBI_17258 3_STAR
CHEBI:17259 biolink:ChemicalSubstance CDP-3,6-dideoxy-D-mannose A CDP-sugar in which the sugar component is 3,6-dideoxy-D-mannose. phenio.json CDP-tyvelose|cytidine 5'-[3-(3,6-dideoxy-D-arabino-hexopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_17259 3_STAR
CHEBI:17260 biolink:ChemicalSubstance butanoyl dihydrogen phosphate An acyl monophosphate where the acyl groups is butanoyl. KEGG:C02527 phenio.json Butanoyl phosphate|Butanoylphosphate|butanoyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_17260 3_STAR
CHEBI:17261 biolink:ChemicalSubstance N(4)-(beta-N-acetyl-D-glucosaminyl)-L-asparagine An N(4)-glycosyl-L-asparagine having (beta-N-acetyl-D-glucosaminyl as the glycosyl component. CAS:2776-93-4|KEGG:C04540 phenio.json 1-beta-Aspartyl-N-acetyl-D-glucosaminylamine|2-Acetamido-1-(beta-L-aspartamido)-1,2-dideoxy-beta-D-glucose|2-Acetamido-1-N-(4'-L-aspartyl)-2-deoxy-beta-D-glucopyranosylamine|2-acetamido-N(1)-L-beta-aspartyl-2-deoxy-beta-D-glucopyranosylamine|2-acetamido-N-L-beta-aspartyl-2-deoxy-beta-D-glucopyranosylamine|AADG|N(4)-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-L-asparagine|N-Acetylglucosaminylasparagine|N4-(Acetyl-beta-D-glucosaminyl)asparagine|N4-(beta-N-Acetyl-D-glucosaminyl)-L-asparagine|beta-N-acetylglucosaminyl-L-asparagine http://purl.obolibrary.org/obo/CHEBI_17261 3_STAR
CHEBI:17262 biolink:ChemicalSubstance dTDP-D-galacturonic acid A dTDP-sugar where the sugar component is D-galacturonic acid. KEGG:C03034 phenio.json dTDP-D-galacturonate|thymidine 5'-[3-(D-galactopyranosyluronic acid) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_17262 3_STAR
CHEBI:17263 biolink:ChemicalSubstance estrone A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17. CAS:53-16-7|DrugBank:DB00655|Drug_Central:3188|Gmelin:542591|HMDB:HMDB0000145|KEGG:C00468|KEGG:D00067|KNApSAcK:C00003663|LINCS:LSM-3837|LIPID_MAPS_instance:LMST02010004|PDBeChem:J3Z|PMID:11786692|PMID:13908815|PMID:15784278|PMID:17447557|PMID:19610377|PMID:23647561|PMID:24390165|PMID:24398390|Patent:FR1305992|Patent:US1967350|Patent:US1967351|Reaxys:1915077|Wikipedia:Estrone phenio.json 3-Hydroxy-1,3,5(10)-estratrien-17-one|3-hydroxyestra-1,3,5(10)-trien-17-one|Estrone|estrone|follicular hormone|folliculin|oestrone http://purl.obolibrary.org/obo/CHEBI_17263 3_STAR
CHEBI:17264 biolink:ChemicalSubstance phosphatidylglycerol phosphate A phosphatidylglycerol in which one of the hydroxy groups of the glycerol moiety has been converted to the corresponding dihydrogen phosphate. phenio.json Phosphatidylglycerophosphate|phosphatidylglycerol phosphates http://purl.obolibrary.org/obo/CHEBI_17264 3_STAR
CHEBI:17265 biolink:ChemicalSubstance O-(1->4)-alpha-L-dihydrostreptosylstreptidine 6-phosphate A scyllo-inositol phosphate compound having the phosphate group at the 6-position, guanidino groups replacing hydroxy functions at the 1-position and an alpha-L-lyxofuranosyl residue at the 4-position. CAS:59719-49-2|KEGG:C04767 phenio.json (1S,2R,3S,4S,5R,6S)-2,4-dicarbamimidamido-5-{[5-deoxy-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl]oxy}-3,6-dihydroxycyclohexyl dihydrogen phosphate|DHSSP|Dihydrostreptosyl streptidine 6-phosphate|O-1,4-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate http://purl.obolibrary.org/obo/CHEBI_17265 3_STAR
CHEBI:17266 biolink:ChemicalSubstance L-sorbose The L enantiomer of sorbose, a ketone-containing hexose (a six-carbon monosaccharide). CAS:87-79-6|PMID:22735334|Reaxys:1724554|Wikipedia:Sorbose phenio.json (3S,4R,5S)-1,3,4,5,6-pentahydroxyhexan-2-one|L-Sor|L-sorbose|L-xylo-hex-2-ulose http://purl.obolibrary.org/obo/CHEBI_17266 3_STAR
CHEBI:17268 biolink:ChemicalSubstance myo-inositol An inositol having myo- configuration. CAS:87-89-8|DrugBank:DB03106|Drug_Central:1444|Gmelin:82918|HMDB:HMDB0000211|KEGG:C00137|KEGG:D08079|KNApSAcK:C00001164|MetaCyc:MYO-INOSITOL|PDBeChem:INS|PMID:11034685|PMID:11244303|PMID:11323092|PMID:11772411|PMID:12478879|PMID:12832083|PMID:14583919|PMID:14681857|PMID:15181167|PMID:15295080|PMID:15558078|PMID:16410747|PMID:1694860|PMID:17439666|PMID:17722064|PMID:18650262|PMID:18854045|PMID:19097871|PMID:19383710|PMID:22285975|PMID:22461977|PMID:22517104|PMID:838172|Reaxys:1907329|Wikipedia:Inositol phenio.json (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexol|1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE|1,2,3,5/4,6-cyclohexanehexol|1D-myo-Inositol|1L-myo-Inositol|Bios I|Cyclohexitol|D-myo-Inositol|Dambose|Inositol|Ins|L-myo-Inositol|Meat sugar|Myoinositol|cis-1,2,3,5-trans-4,6-cyclohexanehexol|i-inositol|inosite|meso-Inositol|myo-Inositol|myo-inositol http://purl.obolibrary.org/obo/CHEBI_17268 3_STAR
CHEBI:17269 biolink:ChemicalSubstance Latia luciferin An apo carotenoid sesquiterpenoid that consists of a cylohexene ring substituted by methyl groups at positions 2, 6 and 6 and a (1E)-1-(formyloxy)-2-methylbut-1-en-4-yl group at position 2. CAS:21730-91-6|KEGG:C02293|LIPID_MAPS_instance:LMPR0103050003|MetaCyc:LATIA-LUCIFERIN|PMID:4506078|PMID:5650377|Reaxys:1876844 phenio.json (1E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-1-enyl formate|(9E)-7,8-dihydro-10-apo-beta-caroten-10-yl formate|Latia luciferin|latiluciferin http://purl.obolibrary.org/obo/CHEBI_17269 3_STAR
CHEBI:17270 biolink:ChemicalSubstance glycerol 2-phosphate A glycerol monophosphate having the phosphate group at the 2-position. CAS:17181-54-3|DrugBank:DB01779|KEGG:C02979|KNApSAcK:C00007407|MetaCyc:CPD-536|PDBeChem:G2H|PMID:10952545|PMID:19429609|PMID:22770225|PMID:6083437|Reaxys:1706815 phenio.json 1,2,3-propanetriol, 2-(dihydrogen phosphate)|1,3-hydroxy-2-propyl dihydrogen phosphate|2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE|2-glycerophosphate|Glycerol 2-phosphate|beta-glycerophosphate|beta-glycerophosphoric acid|glycerol 2-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17270 3_STAR
CHEBI:17271 biolink:ChemicalSubstance 3-phosphonatopyruvate(3-) A triply-charged monocarboxylic acid anion obtained by deprotonation of the carboxy and phospho groups of 3-phosphonopyruvic acid. Beilstein:6201899|Reaxys:6201899 phenio.json 2-oxo-3-phosphonatopropanoate|3-phosphonatopyruvate http://purl.obolibrary.org/obo/CHEBI_17271 3_STAR
CHEBI:17272 biolink:ChemicalSubstance propionate The conjugate base of propionic acid; a key precursor in lipid biosynthesis. Beilstein:3587503|CAS:72-03-7|Gmelin:1820|KEGG:C00163|PMID:17951291|PMID:18375549|PMID:2647392|UM-BBD_compID:c0277 phenio.json CH3-CH2-COO(-)|EtCO2 anion|carboxylatoethane|ethanecarboxylate|ethylformate|metacetonate|methylacetate|propanate|propanoate|propanoic acid, ion(1-)|propionate|pseudoacetate http://purl.obolibrary.org/obo/CHEBI_17272 3_STAR
CHEBI:17274 biolink:ChemicalSubstance aldehydo-N-acyl-D-glucosamine The open-chain form of an N-acyl-D-glucosamine. phenio.json an N-acyl-D-glucosamine http://purl.obolibrary.org/obo/CHEBI_17274 3_STAR
CHEBI:17276 biolink:ChemicalSubstance phloretin A member of the class of dihydrochalcones that is dihydrochalcone substituted by hydroxy groups at positions 4, 2', 4' and 6'. CAS:60-82-2|DrugBank:DB07810|HMDB:HMDB0003306|KEGG:C00774|KNApSAcK:C00007936|LINCS:LSM-6221|LIPID_MAPS_instance:LMPK12120525|MetaCyc:PHLORETIN|PDBeChem:G50|PMID:18767070|PMID:23907072|PMID:24487097|PMID:7126563|Patent:CN102701938|Patent:CN103230408|Reaxys:1887240|Wikipedia:Phloretin phenio.json 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-1-propanone|3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one|Phloretin|phloretin http://purl.obolibrary.org/obo/CHEBI_17276 3_STAR
CHEBI:17277 biolink:ChemicalSubstance UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine UDP-glycopeptide having N-acetylmuramoyl as the glyco portion and L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine as the peptide portion (attached via an amide bond between the amino terminus and the muramoyl carboxy group). phenio.json UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine http://purl.obolibrary.org/obo/CHEBI_17277 3_STAR
CHEBI:17278 biolink:ChemicalSubstance 5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol Beilstein:6225599|CAS:862-53-3|KEGG:C05446|LIPID_MAPS_instance:LMST04030014 phenio.json (3alpha,5beta,7alpha,12alpha)-cholestane-3,7,12,26-tetrol|3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane|5beta-Cholestane-3alpha,7alpha,12alpha,26-tetraol|5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol|5beta-cholestane 3alpha,7alpha,12alpha,27-tetrol|5beta-cholestane-3alpha,7alpha,12alpha,26-tetraol|5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol|cholestane-3,7,12,26(27)-tetrol|cholestane-3,7,12,26-tetrol|cholestane-3,7,12,27-tetrol http://purl.obolibrary.org/obo/CHEBI_17278 3_STAR
CHEBI:17279 biolink:ChemicalSubstance N-succinyl-LL-2,6-diaminopimelic acid A tricarboxylic acid consisting of LL-2,6-diaminopimelic acid having a succinoyl group attached to one of the nitrogens. KEGG:C04421|KNApSAcK:C00007597 phenio.json (2S,6S)-2-amino-6-(3-carboxypropanamido)heptanedioic acid|N-Succinyl-L-2,6-diaminoheptanedioate|N-Succinyl-L-2,6-diaminopimelate|N-Succinyl-LL-2,6-diaminoheptanedioate|N-Succinyl-LL-2,6-diaminopimelate http://purl.obolibrary.org/obo/CHEBI_17279 3_STAR
CHEBI:17281 biolink:ChemicalSubstance 2-deoxy-D-ribono-1,4-lactone Beilstein:81260|CAS:34371-14-7|KEGG:C02674 phenio.json (4S,5R)-4-hydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one|2,4,5-TP|2,4,5-Trihydroxypentanoic acid gamma-lactone|2-Deoxy-ribono-1,4-lactone|2-Deoxyribonolactone|2-deoxy-D-erythro-pentonic acid gamma-lactone|2-deoxy-D-erythro-pentono-1,4-lactone|2-deoxy-D-ribono-1,4-lactone|Deoxyribonolactone http://purl.obolibrary.org/obo/CHEBI_17281 3_STAR
CHEBI:17282 biolink:ChemicalSubstance 3-(indol-3-yl)lactate A 2-hydroxy carboxylate that is the conjugate base of 3-(indol-3-yl)lactic acid. KEGG:C02043 phenio.json 2-hydroxy-3-(1H-indol-3-yl)propanoate|3-(indol-3-yl)lactate|Indolelactate|indole lactate|indole-3-lactate http://purl.obolibrary.org/obo/CHEBI_17282 3_STAR
CHEBI:17283 biolink:ChemicalSubstance 1-phosphatidyl-1D-myo-inositol 3-phosphate A phosphatidylinositol 3-phosphate in which the inositol moiety is the D-myo-isomer. KEGG:C04549 phenio.json 1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-3'-phosphate)|1-O-(3-sn-phosphatidyl)-1D-myo-inositol 3-(dihydrogen phosphate)|1-Phosphatidyl-1D-myo-inositol 3-phosphate|Phosphatidylinositol 3-phosphate|PtdIns-3-P|PtdIns3P http://purl.obolibrary.org/obo/CHEBI_17283 3_STAR
CHEBI:17284 biolink:ChemicalSubstance 5-phospho-D-ribosylamine A ribose monophosphate having the phosphate group at the 5-position and an amino group in place of hydroxy at the anomeric centre. phenio.json 5-O-phosphono-D-ribofuranosylamine http://purl.obolibrary.org/obo/CHEBI_17284 3_STAR
CHEBI:17285 biolink:ChemicalSubstance L-cysteic acid The L-enantiomer of cysteic acid. Beilstein:1725492|CAS:498-40-8|DrugBank:DB03661|HMDB:HMDB0002757|KEGG:C00506|MetaCyc:L-CYSTEATE|PDBeChem:OCS|PDBeChem:OCS_LFOH|PMID:11750815|PMID:21719707|PMID:8981569|Reaxys:1725495 phenio.json (2R)-2-amino-3-sulfopropanoic acid|2-Amino-3-sulfopropionic acid|3-Sulfoalanine|3-sulfo-L-alanine|CYSTEINESULFONIC ACID|L-Cysteate|L-Cysteic acid|L-cysteic acid http://purl.obolibrary.org/obo/CHEBI_17285 3_STAR
CHEBI:17286 biolink:ChemicalSubstance deacetylisoipecoside Isoipecoside in which the acetyl group attaced to the nitrogen is replaced by hydrogen. Beilstein:5787005|KEGG:C07304 phenio.json Deacetylisoipecoside|methyl (2S,3R,4S)-3-ethenyl-4-{[(1S)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate http://purl.obolibrary.org/obo/CHEBI_17286 3_STAR
CHEBI:17287 biolink:ChemicalSubstance N-phosphocreatine A phosphoamino acid consisting of creatine having a phospho group attached at the primary nitrogen of the guanidino group. CAS:67-07-2|Drug_Central:3464|HMDB:HMDB0001511|KEGG:C02305|MetaCyc:CREATINE-P|PMID:1160340|PMID:11867929|PMID:13772879|PMID:13881337|PMID:14421251|PMID:5879486|Reaxys:1797096|Wikipedia:Phosphocreatine phenio.json Creatine phosphate|Creatine phosphic acid|N(omega)-phosphonocreatine|N-(N-phosphonoamido)sarcosine|N-(Phosphonoamidino)sarcosine|N-Phosphocreatine|N-Phosphorylcreatine|N-[imino(phosphonoamino)methyl]-N-methylglycine|N-phosphocreatine|Phosphocreatine|phosphorylcreatine|{[imino(phosphonoamino)methyl](methyl)amino}acetic acid http://purl.obolibrary.org/obo/CHEBI_17287 3_STAR
CHEBI:172871 biolink:ChemicalSubstance 8-oxo-dATP(4-) Major microspecies at pH 7.3. phenio.json ({[(2R,3S,5R)-5-(6-amino-8-oxo-8,9-dihydro-7H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate|8-oxo-dATP http://purl.obolibrary.org/obo/CHEBI_172871 2_STAR
CHEBI:172872 biolink:ChemicalSubstance N(6)-methyl-dATP(4-) Major microspecies at pH 7.3. phenio.json ({[(2R,3S,5R)-3-hydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate|N(6)-methyl-dATP http://purl.obolibrary.org/obo/CHEBI_172872 2_STAR
CHEBI:172873 biolink:ChemicalSubstance N(6)-methyl-ATP(4-) Major microspecies at pH 7.3. phenio.json ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate|N(6)-methyl-ATP http://purl.obolibrary.org/obo/CHEBI_172873 2_STAR
CHEBI:172878 biolink:ChemicalSubstance 2-oxo-ATP(4-) A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of 2-oxo-ATP; major microspecies at pH 7.3 PMID:11139615 phenio.json 2-oxo-ATP|2-oxo-ATP tetraanion|2-oxo-adenosine 5'-triphosphate tetraanion http://purl.obolibrary.org/obo/CHEBI_172878 2_STAR
CHEBI:17289 biolink:ChemicalSubstance homoserine lactone A butan-4-olide having an amino substituent at the 2-position. Beilstein:80584|CAS:1192-20-7|DrugBank:DB02624|KEGG:C02926|MetaCyc:HOMOSERINE-LACTONE|PMID:7545940|Reaxys:80584 phenio.json 2-Aminobutan-4-olide|3-amino-4,5-dihydrofuran-2(3H)-one|HSL|HSLs|Homoserine lactone|Hsl|alpha-amino-gamma-butyrolactone|homoserine lactone http://purl.obolibrary.org/obo/CHEBI_17289 3_STAR
CHEBI:17290 biolink:ChemicalSubstance (S)-3-hydroxybutyric acid The S-enantiomer of 3-hydroxybutyric acid; a normal human metabolite, that has been found elevated in geriatric patients remitting from depression. CAS:6168-83-8|HMDB:HMDB0000758|KEGG:C03197|MetaCyc:CPD-1843|PDBeChem:3HL|PMID:17048218|PMID:18461320|PMID:19304817|Reaxys:1720567 phenio.json (+)-3-hydroxybutyric acid|(3S)-3-hydroxybutanoic acid|(3S)-3-hydroxybutyric acid|(S)-3-Hydroxybutyric acid|(S)-3-hydroxybutanoic acid|(S)-3-hydroxybutyric acid|(S)-3HB|(S)-beta-hydroxybutyric acid|L-(+)-3-hydroxybutyric acid|L-3-hydroxybutyric acid http://purl.obolibrary.org/obo/CHEBI_17290 3_STAR
CHEBI:17291 biolink:ChemicalSubstance L-fuconic acid Beilstein:1724572|CAS:26372-13-4|KEGG:C01720 phenio.json 6-deoxy-L-galactonic acid|L-Fuconate|L-fuconic acid http://purl.obolibrary.org/obo/CHEBI_17291 3_STAR
CHEBI:172918 biolink:ChemicalSubstance PF-00835231 A primary alcohol resulting from the cleavage of the phosphate group of the prodrug PF-07304814. It is an inhibitor of SARS-CoV-1 and -2 main protease (3CLpro) and exhibits potent in vitro antiviral activity. Chemspider:9736673|PDBeChem:V2M|PMID:32045235|PMID:32935104|PMID:33054210|PMID:33515606|PMID:33622961|PMID:33802860|Patent:WO2005113580 phenio.json N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide|PF 00835231|PF-00835231|PF00835231 http://purl.obolibrary.org/obo/CHEBI_172918 3_STAR
CHEBI:172923 biolink:ChemicalSubstance fluorescein (acid form) A xanthene dye that is highly fluorescent and commonly used as a fluorescent tracer. CAS:518-45-6|Chemspider:3266|PDBeChem:FLU|PMID:12945055|PMID:15178254|PMID:15465055|PMID:17097086|PMID:2508085|PMID:26457839|PMID:26756394|PMID:28935590|PMID:29058737|PMID:8637844|Wikipedia:Fluorescein phenio.json 2-(3-hydroxy-6-oxo-xanthen-9-yl)benzoic acid|2-(3-hydroxy-6-oxoxanthen-9-yl)benzoic acid|2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid|fluorescein (free acid)|fluorescein acid http://purl.obolibrary.org/obo/CHEBI_172923 3_STAR
CHEBI:172925 biolink:ChemicalSubstance beta-acoradiene A spiro compound that is 1,8-dimethyl-4-(prop-1-en-2-yl)spiro[4.5]decane that has been dehydrogenated to introduce a double bond at position 8-9 (the 1R,4S,5R isomer). CAS:28477-64-7|KNApSAcK:C00021580|MetaCyc:CPD-8240|PMID:15994044|PMID:24517311|PMID:25960759 phenio.json (-)-beta- acoradiene|(1R,4S,5R)-1,8-dimethyl-4-(1-methylethenyl)spiro[4.5]dec-7-ene|(1R,4S,5R)-1,8-dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene|beta-acoradiene http://purl.obolibrary.org/obo/CHEBI_172925 3_STAR
CHEBI:17293 biolink:ChemicalSubstance 2-aminophenoxazin-3-one Chemspider:65565|KEGG:C02161|KNApSAcK:C00018683 phenio.json 2-Aminophenoxazin-3-one|2-amino-3H-phenoxazin-3-one|2-aminophenoxazin-3-one|Isophenoxazine|Questiomycin A http://purl.obolibrary.org/obo/CHEBI_17293 3_STAR
CHEBI:17294 biolink:ChemicalSubstance 4,21-dehydrogeissoschizine An indole alkaloid that is the enol tautomer of geissoschizine, which is also dehydrogenated at the 4,21-position. CAS:73385-56-5|KEGG:C03677|KNApSAcK:C00051782|MetaCyc:421-DEHYDROGEISSOSCHIZINE|PMID:16874388|Reaxys:4723273|Wikipedia:4,21-Dehydrogeissoschizine phenio.json 4,21-Dehydrogeissoschizine|4,21-dehydrogeissoschizine|methyl (19E)-16-(hydroxymethylidene)-4,21-didehydrocoryn-19-en-4-ium-17-oate|methyl (19E)-16-(hydroxymethylidene)coryna-4(21),19-dien-4-ium-17-oate http://purl.obolibrary.org/obo/CHEBI_17294 3_STAR
CHEBI:17295 biolink:ChemicalSubstance L-phenylalanine The L-enantiomer of phenylalanine. CAS:63-91-2|DrugBank:DB00120|Drug_Central:2144|ECMDB:ECMDB00159|Gmelin:50837|HMDB:HMDB0000159|KEGG:C00079|KEGG:D00021|KNApSAcK:C00001386|MetaCyc:PHE|PDBeChem:PHE|PMID:13945318|PMID:16893175|PMID:17784858|PMID:21203787|PMID:21956539|PMID:22081386|PMID:22112574|PMID:22143120|PMID:22209218|PMID:22494897|PMID:23836015|PMID:24464217|PMID:24733517|PMID:24966042|Reaxys:1910408|Wikipedia:Phenylalanine|YMDB:YMDB00304 phenio.json (2S)-2-amino-3-phenylpropanoic acid|(S)-2-Amino-3-phenylpropionic acid|(S)-alpha-Amino-beta-phenylpropionic acid|3-phenyl-L-alanine|F|L-Phenylalanine|L-phenylalanine|PHENYLALANINE|Phe|beta-phenyl-L-alanine http://purl.obolibrary.org/obo/CHEBI_17295 3_STAR
CHEBI:17296 biolink:ChemicalSubstance aniline A primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens. CAS:62-53-3|DrugBank:DB06728|Gmelin:2796|HMDB:HMDB0003012|KEGG:C00292|MetaCyc:ANILINE|PDBeChem:ANL|PMID:11304127|PMID:17135213|PMID:23821252|PMID:3779628|PMID:6205897|Reaxys:605631|Wikipedia:Aniline phenio.json ANILINE|Anilin|Aniline|Benzenamine|Phenylamine|aminobenzene|aminophen|aniline|benzeneamine|kyanol http://purl.obolibrary.org/obo/CHEBI_17296 3_STAR
CHEBI:17297 biolink:ChemicalSubstance UDP-sugar A pyrimidine nucleotide-sugar having UDP as the nucleotide component attached to an unspecified sugar via an anomeric diphosphate linkage. KEGG:C05227 phenio.json UDP-monosaccharide|UDP-sugar|UDP-sugars http://purl.obolibrary.org/obo/CHEBI_17297 3_STAR
CHEBI:17298 biolink:ChemicalSubstance dolichyl D-xylosyl phosphate KEGG:C01191 phenio.json alpha-(3-methylbut-2-en-1-yl)-omega-{4-[(D-xylopyranosyloxy)(hydroxy)phosphoryloxy]-2-methylbutyl}poly[(2E)-2-methylbut-2-ene-1,4-diyl]|dolichyl D-xylosyl phosphates http://purl.obolibrary.org/obo/CHEBI_17298 3_STAR
CHEBI:17299 biolink:ChemicalSubstance 4-methylene-L-glutamate(2-) phenio.json (2S)-2-amino-4-methylenepentanedioate|(2S)-2-amino-4-methylidenepentanedioate http://purl.obolibrary.org/obo/CHEBI_17299 3_STAR
CHEBI:17300 biolink:ChemicalSubstance tetrachloroethene A chlorocarbon that is tetrachloro substituted ethene. CAS:127-18-4|Drug_Central:3587|Gmelin:101142|HMDB:HMDB0041980|KEGG:C06789|LINCS:LSM-37168|MetaCyc:TETRACHLOROETHENE|PMID:23416178|PMID:23466729|PMID:25042713|PMID:25605280|PMID:25690329|Reaxys:1304635|UM-BBD_compID:c0004|Wikipedia:Tetrachloroethene phenio.json 1,1,2,2-tetrachloroethylene|PCE|PERC|PERK|Perchloroethylene|Tetrachloraethen|Tetrachloroethene|ethylene tetrachloride|perchloroethylene|tetrachlorethylene|tetrachloroethene|tetrachloroethylene http://purl.obolibrary.org/obo/CHEBI_17300 3_STAR
CHEBI:17301 biolink:ChemicalSubstance glucaric acid A hexaric acid derived by oxidation of sugar such as glucose with nitric acid. CAS:25525-21-7|DrugBank:DB03603|HMDB:HMDB0000663|KEGG:C00767|PMID:6526537|Reaxys:1728123 phenio.json Glucaric acid|glucaric acid|glucosaccharic acid|saccharic acid|tetrahydroxyadipic acid http://purl.obolibrary.org/obo/CHEBI_17301 3_STAR
CHEBI:17302 biolink:ChemicalSubstance pentadecanal A long-chain fatty aldehyde that is pentadecane carrying an oxo substituent at position 1. It is a component of essential oils from plants like Solanum erianthum and Cassia siamea. CAS:2765-11-9|HMDB:HMDB0031078|KEGG:C01948|LIPID_MAPS_instance:LMFA06000083|PMID:22136358|PMID:23513740|Reaxys:1706171 phenio.json 1-pentadecanal|Pentadecanal|n-pentadecanal|pentadecanal http://purl.obolibrary.org/obo/CHEBI_17302 3_STAR
CHEBI:17303 biolink:ChemicalSubstance morphine A morphinane alkaloid that is a highly potent opiate analgesic psychoactive drug. Morphine acts directly on the central nervous system (CNS) to relieve pain but has a high potential for addiction, with tolerance and both physical and psychological dependence developing rapidly. Morphine is the most abundant opiate found in Papaver somniferum (the opium poppy). CAS:57-27-2|DrugBank:DB00295|Drug_Central:1845|KEGG:C01516|KEGG:D08233|KNApSAcK:C00001889|MetaCyc:MORPHINE|PDB:1Q0Y|PDBeChem:MOI|PMID:12593758|PMID:15019787|PMID:17171884|PMID:17667569|PMID:19371311|PMID:20071451|PMID:21061062|PMID:23292329|PMID:23325235|PMID:23555556|PMID:23927484|PMID:23988259|PMID:24096538|PMID:24306419|PMID:27735107|PMID:27815868|PMID:27866460|PMID:29368335|PMID:9231550|Reaxys:93704|VSDB:2982|Wikipedia:Morphine phenio.json (-)-morphine|(5R,6S,9R,13S,14R)-4,5-epoxy-N-methyl-7-morphinen-3,6-diol|(5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol|(5alpha,6alpha)-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol|(7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL|17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol|Morphia|Morphin|Morphine|morfina|morphinum|morphium http://purl.obolibrary.org/obo/CHEBI_17303 3_STAR
CHEBI:17304 biolink:ChemicalSubstance piperitenone Beilstein:6717316|CAS:491-09-8|KEGG:C01951|KNApSAcK:C00010889|PMID:24211775 phenio.json Piperitenone|p-mentha-1,4(8)-dien-3-one|piperitenone http://purl.obolibrary.org/obo/CHEBI_17304 3_STAR
CHEBI:17305 biolink:ChemicalSubstance 2-dehydro-3-deoxy-D-glucaric acid KEGG:C03921 phenio.json 2-Dehydro-3-deoxy-D-glucarate|2-dehydro-3-deoxy-D-glucarate|3-deoxy-D-erythro-hex-2-ulosaric acid http://purl.obolibrary.org/obo/CHEBI_17305 3_STAR
CHEBI:17306 biolink:ChemicalSubstance maltose A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->4)-linkage. CAS:69-79-4|DrugBank:DB03323|KEGG:C00208|KEGG:D00044|KEGG:G00275|KNApSAcK:C00001140|PMID:16332759|PMID:17723085|PMID:22094343|PMID:22185612|PMID:22246222|PMID:22252265|PMID:22411612|PMID:22424089|PMID:22451670|PMID:22469630|PMID:22529943|PMID:22573161|PMID:22669197|Reaxys:1292747|Wikipedia:Maltose phenio.json 1-alpha-D-Glucopyranosyl-4-alpha-D-glucopyranose|4-(alpha-D-glucopyranosido)-alpha-glucopyranose|4-(alpha-D-glucosido)-D-glucose|4-O-alpha-D-glucopyranosyl-D-glucopyranose|4-O-alpha-D-glucopyranosyl-D-glucose|Cextromaltose|D-(+)-maltose|D-maltose|Malt sugar|Maltose|Malzzucker|alpha-D-Glcp-(1->4)-D-Glcp|alpha-D-Glucopyranosyl-(1->4)-D-glucopyranose|alpha-D-glucopyranosyl-(1->4)-D-glucopyranose|alpha-D-glucopyranosyl-(1->4)-D-glucose|alpha-malt sugar|maltobiose http://purl.obolibrary.org/obo/CHEBI_17306 3_STAR
CHEBI:17307 biolink:ChemicalSubstance dTDP-6-deoxy-L-talose phenio.json thymidine 5'-[3-(6-deoxy-L-talopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_17307 3_STAR
CHEBI:173072 biolink:ChemicalSubstance 5H-furo[3,2-g]chromen-5-one A member of the class of furanochromones that is 5H-furo[3,2-g][1]benzopyran carrying an oxo group a position 5. CAS:67777-61-1|Chemspider:114232|PMID:2576851 phenio.json 5H-furo[3,2-g][1]benzopyran-5-one|5H-furo[3,2-g]chromen-5-one|FBPO|furo[3,2-g]chromen-5-one http://purl.obolibrary.org/obo/CHEBI_173072 3_STAR
CHEBI:17308 biolink:ChemicalSubstance 2-oxohexanoic acid A straight-chain fatty acid consisting of hexanoic acid having an oxo group at position 2. CAS:2492-75-3|KEGG:C00902|LIPID_MAPS_instance:LMFA01060007|PMID:16014804|PMID:7045091|Reaxys:1749831 phenio.json 2-Oxohexanoate|2-Oxohexanoic acid|2-keto-n-caproic acid|2-ketohexanoic acid|2-oxo 6:0|2-oxo C6:0|2-oxohexanoic acid|alpha-Ketocaproic acid|alpha-ketocaproic acid|alpha-ketohexanoic acid http://purl.obolibrary.org/obo/CHEBI_17308 3_STAR
CHEBI:173082 biolink:ChemicalSubstance aceneuramic acid An N-acetylneuraminic acid that is keto-neuraminic acid in which one of the hydrogens of the amino group is replaced by an acetyl group. CAS:131-48-6|DrugBank:DB11797|FooDB:FDB001209|KEGG:D11016|PDBeChem:SI3|PMID:24152047|PMID:24521460|PMID:31636419|PMID:32058180|PMID:33895133 phenio.json (4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoic acid|5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid|5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid|N-acetyl-keto-neuraminic acid|N-acetylneuraminic acid|NPC-09|Neu5Ac|UX-001|UX001|aceneuramic acid|acide aceneuramique|acido aceneuramico|acidum aceneuramicum http://purl.obolibrary.org/obo/CHEBI_173082 3_STAR
CHEBI:173083 biolink:ChemicalSubstance aceneuramate An N-acetylneuraminate that is the conjugate base of aceneuramic acid arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3. MetaCyc:CPD0-2701|PMID:30422107|PMID:33895133 phenio.json (4S,5R,6R,7S,8R)-5-acetamido-4,6,7,8,9-pentahydroxy-2-oxononanoate|5-acetamido-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonate|N-acetyl-keto-neuraminate|N-acetylneuraminate|Neu5Ac(1-)|aceneuramate http://purl.obolibrary.org/obo/CHEBI_173083 3_STAR
CHEBI:173084 biolink:ChemicalSubstance ferroptosis inhibitor Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. PMID:32015325|PMID:32256352|PMID:32413317|PMID:33495651|Wikipedia:Ferroptosis phenio.json ferroptosis inhibitors http://purl.obolibrary.org/obo/CHEBI_173084 3_STAR
CHEBI:173085 biolink:ChemicalSubstance ferroptosis inducer Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms. PMID:31899616|PMID:32015325|PMID:33167414|PMID:34012798|Wikipedia:Ferroptosis phenio.json ferroptosis inducers http://purl.obolibrary.org/obo/CHEBI_173085 3_STAR
CHEBI:173086 biolink:ChemicalSubstance ferrostatin-1 An ethyl ester resulting from the formal condensation of the carboxy group of 3-amino-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis, a distinct non-apoptotic form of cell death caused by lipid peroxidation. It is also a radical-trapping antioxidant and has the ability to reduce the accumulation of lipid peroxides and chain-carrying peroxyl radicals. CAS:347174-05-4|PMID:22632970|PMID:26385697|PMID:26410073|PMID:26696014|PMID:28250973|PMID:28386601|PMID:28783875|PMID:30354101|PMID:31531196|PMID:31571665|PMID:31574461|PMID:31864943|PMID:32161620|PMID:32984038|PMID:33109343|PMID:33126055|PMID:33278745|PMID:33464146|PMID:33631670|PMID:33669598|PMID:33991524 phenio.json 3-amino-4-cyclohexylaminobenzoic acid ethyl ester|Fer-1|ethyl 3-amino-4-(cyclohexylamino)benzoate|ferrrostatin 1 http://purl.obolibrary.org/obo/CHEBI_173086 3_STAR
CHEBI:17309 biolink:ChemicalSubstance pectin Any mixture of complex, colloidal, macromolecular plant galacturonans containing a large proportion of D-galactopyranosyluronic acid residues in alpha-(1->4) linkage, the carboxy groups of which may be esterified to varying degrees by methyl groups or be partially or completely converted into salts. The structure shown is that of the parent polygalacturonan. CAS:9000-69-5|HMDB:HMDB0003402|KEGG:C00714|KEGG:D02316|KEGG:G10591|MetaCyc:PECTATE|PMID:10093966|PMID:17930085|PMID:24751282|PMID:24798790|PMID:7446458|PMID:7960137|PMID:890983|Reaxys:8539058|Wikipedia:Pectin phenio.json Pectin|Pektin|Pektine|Poly(1,4-alpha-D-galacturonide)|pectic substance|pectina|pectinas|pectine|pectines|pectins|poly[(1->4)-alpha-D-GalpA] http://purl.obolibrary.org/obo/CHEBI_17309 3_STAR
CHEBI:173094 biolink:ChemicalSubstance EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitor An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of inositol-phosphate phosphatase (EC 3.1.3.25). Wikipedia:Inositol-phosphate_phosphatase phenio.json EC 3.1.3.25 (inositol-phosphate phosphatase) inhibitors|EC 3.1.3.25 inhibitor|EC 3.1.3.25 inhibitors|IMPase inhibitor|IMPase inhibitors|L-myo-inositol-1-phosphate phosphatase inhibitor|L-myo-inositol-1-phosphate phosphatase inhibitors|inositol 1-phosphatase inhibitor|inositol 1-phosphatase inhibitors|inositol monophosphatase inhibitor|inositol monophosphatase inhibitors|inositol monophosphate phosphatase inhibitor|inositol monophosphate phosphatase inhibitors|inositol phosphatase inhibitor|inositol phosphatase inhibitors|inositol phosphate phosphatase inhibitor|inositol phosphate phosphatase inhibitors|inositol-1(or 4)-monophosphatase inhibitor|inositol-1(or 4)-monophosphatase inhibitors|inositol-phosphate phosphatase inhibitor|inositol-phosphate phosphatase inhibitors|myo-inositol 1-phosphatase inhibitor|myo-inositol 1-phosphatase inhibitors|myo-inositol monophosphatase inhibitor|myo-inositol monophosphatase inhibitors|myo-inositol-1(or 4)-monophosphatase inhibitor|myo-inositol-1(or 4)-monophosphatase inhibitors|myo-inositol-1(or 4)-phosphate phosphohydrolase inhibitor|myo-inositol-1(or 4)-phosphate phosphohydrolase inhibitors|myo-inositol-1-phosphatase inhibitor|myo-inositol-1-phosphatase inhibitors http://purl.obolibrary.org/obo/CHEBI_173094 3_STAR
CHEBI:17310 biolink:ChemicalSubstance pyridoxal A pyridinecarbaldehyde that is pyridine-4-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 5 respectively. The 4-carboxyaldehyde form of vitamin B6, it is converted into pyridoxal phosphate, a coenzyme for the synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. CAS:66-72-8|Chemspider:1021|DrugBank:DB00147|Drug_Central:4134|Gmelin:218674|HMDB:HMDB0001545|KEGG:C00250|KNApSAcK:C00007509|MetaCyc:PYRIDOXAL|PDBeChem:PXL|PMID:12001008|PMID:150790|PMID:1621875|PMID:16495081|PMID:16710308|PMID:17765195|PMID:20381632|PMID:22770225|PMID:23801094|PMID:24365359|PMID:31915818|PMID:3663392|PMID:4051187|PMID:433818|PMID:6853710|PMID:7159754|PMID:7440576|PMID:8116826|Reaxys:383768|Wikipedia:Pyridoxal phenio.json 3-HYDROXY-5-(HYDROXYMETHYL)-2-METHYLISONICOTINALDEHYDE|3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carbaldehyde|Pyridoxal|pyridoxal|pyridoxaldehyde http://purl.obolibrary.org/obo/CHEBI_17310 3_STAR
CHEBI:173100 biolink:ChemicalSubstance voltage-dependent anion channel inhibitor Any agent that inhibits voltage-dependent anion channels. Wikipedia:Voltage-dependent_anion_channel phenio.json VDAC blocker|VDAC blockers|VDAC inhibitor|VDAC inhibitors|voltage-dependent anion channel blocker|voltage-dependent anion channel blockers|voltage-dependent anion channel inhibitors|voltage-dependent anion-selective channel blocker|voltage-dependent anion-selective channel blockers|voltage-dependent anion-selective channel inhibitor|voltage-dependent anion-selective channel inhibitors http://purl.obolibrary.org/obo/CHEBI_173100 3_STAR
CHEBI:17311 biolink:ChemicalSubstance N(6),N(6),N(6)-trimethyl-L-lysine An alpha-amino-acid cation that is the N(6)-trimethyl derivative of L-lysine. Beilstein:4133409|CAS:19253-88-4|DrugBank:DB03977|KEGG:C03793|PDBeChem:M3L phenio.json (S)-2-amino-6-(trimethylammonio)hexanoic acid|(S)-5-amino-5-carboxy-N,N,N-trimethyl-1-pentanaminium|N(6),N(6),N(6)-trimethyl-L-lysin-N(6)-ium|N(epsilon)-trimethyllysine|N-TRIMETHYLLYSINE|N6,N6,N6-Trimethyl-L-lysine|epsilon-N-trimethyl-L-lysine|epsilon-trimethyl-L-lysine|epsilon-trimethyllysine|trimethyllysine http://purl.obolibrary.org/obo/CHEBI_17311 3_STAR
CHEBI:173112 biolink:ChemicalSubstance DNA 5'-phosphate polyanion phenio.json DNA 5'-phosphate polymer http://purl.obolibrary.org/obo/CHEBI_173112 2_STAR
CHEBI:173113 biolink:ChemicalSubstance 3'-end ribonucleotide 2'-phosphate(3-) residue phenio.json 3'-terminal ribonucleotide 2'-phosphate residue http://purl.obolibrary.org/obo/CHEBI_173113 2_STAR
CHEBI:173114 biolink:ChemicalSubstance tRNA 5'-phosphate polyanion phenio.json tRNA 5'-phosphate polymer http://purl.obolibrary.org/obo/CHEBI_173114 2_STAR
CHEBI:173115 biolink:ChemicalSubstance poly(RNA)-3'-adenine ribonucleotide polyanion phenio.json poly(RNA)-3'-adenine ribonucleotide polymer http://purl.obolibrary.org/obo/CHEBI_173115 2_STAR
CHEBI:173116 biolink:ChemicalSubstance poly(RNA)-3'-uridine ribonucleotide polyanion phenio.json poly(RNA)-3'-uridine ribonucleotide polymer http://purl.obolibrary.org/obo/CHEBI_173116 2_STAR
CHEBI:173118 biolink:ChemicalSubstance ribonucleotide-ribonucleotide(2-) residue phenio.json ribonucleotide-ribonucleotide residue http://purl.obolibrary.org/obo/CHEBI_173118 2_STAR
CHEBI:17312 biolink:ChemicalSubstance N(1)-acetylspermine An acetylspermine carrying an acetyl group at position N(1). CAS:25593-72-0|HMDB:HMDB0001186|KEGG:C02567|MetaCyc:N1-ACETYLSPERMINE|PDBeChem:SP5|PMID:22959971|PMID:3757213|PMID:4065178|PMID:7260107|Reaxys:4180788 phenio.json N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide|N1-Acetylspermine http://purl.obolibrary.org/obo/CHEBI_17312 3_STAR
CHEBI:17313 biolink:ChemicalSubstance 7,8-dihydroxycoumarin CAS:486-35-1|KEGG:C03093|KNApSAcK:C00002462|LINCS:LSM-3366 phenio.json 7,8-Dihydroxy-2H-1-benzopyran-2-one|7,8-Dihydroxycoumarin|7,8-dihydroxy-2H-chromen-2-one|7,8-dihydroxycoumarin|Daphnetin|Daphnetol http://purl.obolibrary.org/obo/CHEBI_17313 3_STAR
CHEBI:17314 biolink:ChemicalSubstance 13-hydroxydocosanoic acid A C22 hydroxy fatty acid with the hydroxy group at the 13-position and intermediate in the synthesis of sophorosyloxydocosanoate; a yeast glycolipid with potential medical and chemical engineering applications. CAS:13980-16-0|KEGG:C03049|LIPID_MAPS_instance:LMFA01050210|PMID:422563|PMID:5075510|Reaxys:1795554 phenio.json 13-Hydroxydocosanoate|13-Hydroxydocosanoic acid|13-hydroxydocosanoic acid|HDA http://purl.obolibrary.org/obo/CHEBI_17314 3_STAR
CHEBI:17315 biolink:ChemicalSubstance D-glucosamine An amino sugar whose structure comprises D-glucose having an amino substituent at position 2. HMDB:HMDB0001514|PMID:19067146|PMID:59831|Reaxys:1724602 phenio.json 2-amino-2-deoxy-D-glucose|2-amino-D-2-deoxyglucose|2-deoxy-2-amino-D-glucose|D-GlcN|D-glucosamine http://purl.obolibrary.org/obo/CHEBI_17315 3_STAR
CHEBI:17316 biolink:ChemicalSubstance 2-N,6-O-disulfo-D-glucosamine KEGG:C03789|PDBeChem:SGN phenio.json 2-N-sulfo-6-O-sulfo-D-glucosamine|2-deoxy-2-sulfoamino-D-glucose 6-(hydrogen sulfate)|2-deoxy-6-O-sulfo-2-sulfoamino-D-glucose|N,6-O-Disulfo-D-glucosamine|N2,6-Disulfo-D-glucosamine http://purl.obolibrary.org/obo/CHEBI_17316 3_STAR
CHEBI:17317 biolink:ChemicalSubstance D-sorbose Any form of sorbose that has D-configuration. phenio.json D-Sor|D-Sorbose|D-sorbose|D-xylo-Hexulose|D-xylo-hex-2-ulose http://purl.obolibrary.org/obo/CHEBI_17317 3_STAR
CHEBI:17318 biolink:ChemicalSubstance N-(3,4-dichlorophenyl)malonamate A monocarboxylic acid anion that is the conjugate base of N-(3,4-dichlorophenyl)malonamic acid arising from deprotonation of the carboxy group. KEGG:C04205 phenio.json 3-[(3,4-dichlorophenyl)amino]-3-oxopropanoate|N-(3,4-Dichlorophenyl)-malonamate|N-(3,4-dichlorophenyl)malonamate http://purl.obolibrary.org/obo/CHEBI_17318 3_STAR
CHEBI:17319 biolink:ChemicalSubstance 5'-deoxyadenosine A 5'-deoxyribonucleoside compound having adenosine as the nucleobase. CAS:4754-39-6|HMDB:HMDB0001983|KEGG:C05198|MetaCyc:CH33ADO|PDBeChem:5AD|PMID:15116424|PMID:23615610|Reaxys:91536 phenio.json 5'-DEOXYADENOSINE|5'-Deoxyadenosine|5'-deoxyadenosine http://purl.obolibrary.org/obo/CHEBI_17319 3_STAR
CHEBI:17321 biolink:ChemicalSubstance 5,6,7,8-tetrahydromethanopterin CAS:92481-94-2|KEGG:C01217 phenio.json 1-(4-{(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-{5-O-[(1S)-1,3-dicarboxypropylphosphonato]-alpha-D-ribofuranosyl}-D-ribitol|1-(4-{(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-{5-O-[(1S)-1,3-dicarboxypropylphosphono]-alpha-D-ribofuranosyl}-D-ribitol|5,6,7,8-Tetrahydromethanopterin|H4MPT|Pentitol, 1-(4-((1-(2-amino-1,4,5,6,7,8-hexahydro-7-methyl-4-oxo-6-pteridinyl)ethyl)amino)phenyl)-1-deoxy-5-O-(5-O-((1,3-dicarboxypropoxy)hydroxyphosphinyl)-alpha-D-ribofuranosyl)-, (16alpha)-|tetrahydromethanopterin http://purl.obolibrary.org/obo/CHEBI_17321 3_STAR
CHEBI:17322 biolink:ChemicalSubstance chloric acid CAS:7790-93-4|Gmelin:1492|KEGG:C01485|PDBeChem:LCO phenio.json Chlorate|Chloric acid|Chlorsaeure|HClO3|[ClO2(OH)]|chloric acid|hydroxidodioxidochlorine http://purl.obolibrary.org/obo/CHEBI_17322 3_STAR
CHEBI:173225 biolink:ChemicalSubstance UDP-3-O-[(3R)-hydroxyacyl]-N-acetyl-alpha-D-glucosamine(2-) phenio.json a UDP-3-O-[(3R)-3-hydroxyacyl]-N-acetyl-alpha-D-glucosamine http://purl.obolibrary.org/obo/CHEBI_173225 2_STAR
CHEBI:17323 biolink:ChemicalSubstance trans-pinosylvin Beilstein:1870942|CAS:102-61-4|CAS:22139-77-1|KEGG:C01745|KNApSAcK:C00002897 phenio.json (E)-3,5-stilbenediol|(E)-5-(2-phenylethenyl)-1,3-benzenediol|(E)-pinosylvin|5-[(1E)-2-phenylethenyl]benzene-1,3-diol|5-[(E)-2-phenylvinyl]benzene-1,3-diol|pinosylvine|trans-3,5-dihydroxystilbene http://purl.obolibrary.org/obo/CHEBI_17323 3_STAR
CHEBI:17325 biolink:ChemicalSubstance 3-hydroxy-3-methylglutarate(2-) A dicarboxylic acid dianion that results from the removal of a proton from both of the carboxylic acid groups of 3-hydroxy-3-methylglutaric acid. KEGG:C03761|MetaCyc:CPD-547 phenio.json 3-hydroxy-3-methylglutarate|3-hydroxy-3-methylpentanedioate http://purl.obolibrary.org/obo/CHEBI_17325 3_STAR
CHEBI:17326 biolink:ChemicalSubstance nucleoside 5'-triphoshate KEGG:C00201 phenio.json NTP|Nucleoside triphosphate|nucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_17326 3_STAR
CHEBI:17327 biolink:ChemicalSubstance phytol A diterpenoid that is hexadec-2-en-1-ol substituted by methyl groups at positions 3, 7, 11 and 15. CAS:150-86-7|CAS:7541-49-3|HMDB:HMDB0002019|KEGG:C01389|KNApSAcK:C00003467|LIPID_MAPS_instance:LMPR0104010002|MetaCyc:PHYTOL|PMID:17015885|PMID:24333358|PMID:24392173|PMID:24422895|Reaxys:7855349 phenio.json (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-ol|(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol|Phytol|phytol|trans-Phytol http://purl.obolibrary.org/obo/CHEBI_17327 3_STAR
CHEBI:17328 biolink:ChemicalSubstance N(6)-[(indol-3-yl)acetyl]-L-lysine Beilstein:6153789|KEGG:C04211 phenio.json (2S)-2-amino-6-(1H-indol-3-ylacetamido)hexanoic acid|N(6)-(1H-indol-3-ylacetyl)-L-lysine|N6-[(Indol-3-yl)acetyl]-L-lysine|N6-[(Indole-3-yl)acetyl]-L-lysine http://purl.obolibrary.org/obo/CHEBI_17328 3_STAR
CHEBI:17329 biolink:ChemicalSubstance UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N(6)-(L-alanyl)-L-lysyl-D-alanyl-D-alanine KEGG:C04894 phenio.json UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N6-(L-alanyl)-L-lysyl-D-alanyl-D-alanine http://purl.obolibrary.org/obo/CHEBI_17329 3_STAR
CHEBI:17331 biolink:ChemicalSubstance N-benzoylanthranilate A benzoate that is the conjugate base of N-benzoylanthranilic acid arising from deprotonation of the carboxy group. CAS:579-93-1|KEGG:C03141 phenio.json 2-(benzoylamino)benzoate|2-benzamidobenzoate|N-Benzoylanthranilate|N-benzoylanthranilate http://purl.obolibrary.org/obo/CHEBI_17331 3_STAR
CHEBI:17332 biolink:ChemicalSubstance planteose CAS:470-57-5|KEGG:C03848|KEGG:G09080|KNApSAcK:C00001144 phenio.json 6(F)-alpha-D-galactosylsucrose|6F-alpha-D-Galactosylsucrose|6F-alpha-D-galactosylsucrose|Planteose|alpha-D-galactopyranosyl-(1->6)-beta-D-fructofuranosyl alpha-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_17332 3_STAR
CHEBI:17333 biolink:ChemicalSubstance chorismic acid The (3R,4R)-stereoisomer of 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid. Beilstein:5038108|CAS:617-12-9|ECMDB:ECMDB12199|HMDB:HMDB0012199|KEGG:C00251|KNApSAcK:C00000733|PMID:11745165|PMID:23757404|PMID:4897776|PMID:5834235|PMID:8744423|PMID:8971708|Reaxys:2217365|Wikipedia:Chorismic_acid|YMDB:YMDB00148 phenio.json (3R,4R)-3-[(1-carboxyethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid|(3R,4R)-3-[(1-carboxyvinyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid|(3R-trans)-3-((1-carboxyethenyl)oxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid|Chorismic acid http://purl.obolibrary.org/obo/CHEBI_17333 3_STAR
CHEBI:17334 biolink:ChemicalSubstance penicillin Any member of the group of substituted penams containing two methyl substituents at position 2, a carboxylate substituent at position 3 and a carboxamido group at position 6. KEGG:C00395|PMID:11851248|PMID:12833570|PMID:1502708|PMID:16033609|PMID:7061385|PMID:7798534|Wikipedia:Penicillin phenio.json Penicillin|penicillins http://purl.obolibrary.org/obo/CHEBI_17334 3_STAR
CHEBI:17335 biolink:ChemicalSubstance 4-O-beta-D-glucosyl-4-coumaric acid Beilstein:6528358|KEGG:C04415 phenio.json 3-[4-(beta-D-glucopyranosyloxy)phenyl]acrylic acid|3-[4-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid|4-O-[4-(2-carboxyvinyl)phenyl]-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_17335 3_STAR
CHEBI:17336 biolink:ChemicalSubstance all-trans-retinol A retinol in which all four exocyclic double bonds have E- (trans-) geometry. Beilstein:403040|CAS:11103-57-4|CAS:68-26-8|Chemspider:393012|DrugBank:DB00162|Drug_Central:2831|Gmelin:247497|HMDB:HMDB0000305|KEGG:C00473|KEGG:C17276|KEGG:D00069|KEGG:D06543|KNApSAcK:C00031437|LIPID_MAPS_instance:LMPR01090001|MetaCyc:CPD-13524|PDBeChem:RTL|PMID:10637381|PMID:12074187|PMID:12221269|PMID:12229281|PMID:12548314|PMID:12600856|PMID:1414975|PMID:15041701|PMID:15051608|PMID:15531678|PMID:15622799|PMID:15929633|PMID:16469975|PMID:16507353|PMID:16825693|PMID:17790232|PMID:19264891|PMID:20697621|PMID:2217163|PMID:22444309|PMID:2295828|PMID:25478840|PMID:30510477|PMID:31484771|PMID:7971717|PMID:8464067|PMID:8496140|PMID:9155646|PMID:9736606|Wikipedia:Retinol phenio.json (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-ol|(all-E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol|Alphalin|Aquasol A|Chocola A|Vitamin A1|all-trans retinol|all-trans-Retinol|all-trans-retinol|all-trans-retinyl alcohol|all-trans-vitamin A|all-trans-vitamin A alcohol|retinol|retinol (vit A)|retinolum|trans-retinol|vitamin A|vitamin A alcohol|vitamin A1|vitamin A1 alcohol http://purl.obolibrary.org/obo/CHEBI_17336 3_STAR
CHEBI:17337 biolink:ChemicalSubstance (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid KEGG:C04522 phenio.json (2-chloro-5-oxo-2,5-dihydrofuran-2-yl)acetic acid|2-Chloro-2,5-dihydro-5-oxofuran-2-acetate|2-Chloro-5-oxo-2,5-dihydrofuran-2-acetate|2-chloro-5-oxo-2,5-dihydrofuran-2-acetate|5-Chloro-2,5-dihydro-2-oxofuran-5-acetate|5-chloro-2,5-dihydro-2-oxofuran-5-acetate http://purl.obolibrary.org/obo/CHEBI_17337 3_STAR
CHEBI:17338 biolink:ChemicalSubstance CDP-3,6-dideoxy-D-glucose A CDP-sugar having 3,6-dideoxy-D-glucose as the sugar component. phenio.json cytidine 5'-[3-(3,6-dideoxy-D-ribo-hexopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_17338 3_STAR
CHEBI:17339 biolink:ChemicalSubstance N(5)-acyl-L-ornithine An L-ornithine compound having an acyl substituent at the N(5)-position. KEGG:C02858 phenio.json N5-Acyl-L-ornithine http://purl.obolibrary.org/obo/CHEBI_17339 3_STAR
CHEBI:17340 biolink:ChemicalSubstance cetraxate A cyclohexanecarboxylate ester that consists of 4-(2-carboxyethyl)phenyl cyclohexanecarboxylate bearing an aminomethyl substituent at the 4-position. CAS:34675-84-8|Drug_Central:582|KEGG:C01564|KEGG:D07663|PMID:1003703|PMID:12436309|PMID:15099451|PMID:17323190|PMID:3367546|PMID:3435599|PMID:4029808|PMID:8020637|PMID:8350665|PMID:8871449|Reaxys:2820321|Wikipedia:Cetraxate phenio.json 3-[4-({[(1r,4r)-4-(aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid|3-[4-({[trans-4-(aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid|Cetraxate|p-hydroxyhydrocinnamic acid trans-(4-aminomethyl)cyclohexanecarboxylate|trans-4-(((4-(aminomethyl)cyclohexyl)carbonyl)oxy)benzenepropanoic acid http://purl.obolibrary.org/obo/CHEBI_17340 3_STAR
CHEBI:17342 biolink:ChemicalSubstance L-2-aminohexano-6-lactam A 2-aminohexano-6-lactam derived from L-lysine. Beilstein:80946|KEGG:C02837|Reaxys:80946 phenio.json (3S)-3-aminoazepan-2-one|L-2-Amino-hexano-6-lactam|L-Lysine 1,6-lactam|L-alpha-Aminocaprolactam|L-alpha-amino-epsilon-caprolactam http://purl.obolibrary.org/obo/CHEBI_17342 3_STAR
CHEBI:173421 biolink:ChemicalSubstance Ethyl pyruvate CAS:617-35-6|Chemspider:11544|DrugBank:DB05869|HMDB:HMDB0031643|PDBeChem:9X7 phenio.json ethyl 2-oxopropanoate http://purl.obolibrary.org/obo/CHEBI_173421 2_STAR
CHEBI:17343 biolink:ChemicalSubstance cis-3,4-leucopelargonidin KEGG:C03648|Wikipedia:Leucopelargonidin phenio.json (+)-leucopelargonidin|(2R,3S,4S)-2-(4-hydroxyphenyl)chromane-3,4,5,7-tetrol|(2R,3S,4S)-3,4-leucopelargonidin|cis-3,4-Leucopelargonidin|cis-3,4-leucopelargonidin http://purl.obolibrary.org/obo/CHEBI_17343 3_STAR
CHEBI:17344 biolink:ChemicalSubstance 2-carboxy-cis,cis-muconic acid KEGG:C03666 phenio.json (3Z)-buta-1,3-diene-1,1,4-tricarboxylic acid|2-Carboxy-cis,cis-muconate|2-carboxy-cis,cis-muconate http://purl.obolibrary.org/obo/CHEBI_17344 3_STAR
CHEBI:17345 biolink:ChemicalSubstance guanosine 5'-monophosphate A purine ribonucleoside 5'-monophosphate having guanine as the nucleobase. CAS:85-32-5|DrugBank:DB01972|HMDB:HMDB0001397|KEGG:C00144|KNApSAcK:C00019635|MetaCyc:GMP|PDBeChem:5GP|PMID:11233304|PMID:11670950|PMID:22735334|PMID:2559771|PMID:3569407|Reaxys:59430|Wikipedia:Guanosine_monophosphate phenio.json 5'-GMP|5'-guanylic acid|GMP|Guanosine 5'-monophosphate|Guanosine 5'-phosphate|Guanosine monophosphate|Guanylic acid|[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate|guanosine-5'-monophosphate|pG http://purl.obolibrary.org/obo/CHEBI_17345 3_STAR
CHEBI:17346 biolink:ChemicalSubstance 4-chlorophenylacetonitrile A nitrile that is acetonitrile in which one of the hydrogens has been replaced by a p-chlorophenyl group. Beilstein:971171|CAS:140-53-4|Gmelin:1125640|KEGG:C03679 phenio.json (4-chlorophenyl)acetonitrile|(p-chlorophenyl)acetonitrile|4-Chlorobenzyl cyanide|4-Chlorophenylacetonitrile|4-chlorobenzeneacetonitrile|4-chlorophenylacetonitrile|p-chlorobenzyl cyanide http://purl.obolibrary.org/obo/CHEBI_17346 3_STAR
CHEBI:17347 biolink:ChemicalSubstance testosterone An androstanoid having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4-C-5.. Beilstein:3653705|CAS:58-22-0|DrugBank:DB00624|Drug_Central:2607|Gmelin:538843|HMDB:HMDB0000234|KEGG:C00535|KEGG:D00075|KNApSAcK:C00003675|LIPID_MAPS_instance:LMST02020002|PDBeChem:TES|PMID:10438974|PMID:11786693|PMID:18900503|PMID:24498482|Reaxys:1915399|Wikipedia:Testosterone phenio.json 17beta-Hydroxy-4-androsten-3-one|17beta-hydroxy-4-androsten-3-one|17beta-hydroxyandrost-4-en-3-one|4-androsten-17beta-ol-3-one|Androderm|TESTOSTERONE|Testosteron|Testosterone|testosterona|testosterone|testosteronum http://purl.obolibrary.org/obo/CHEBI_17347 3_STAR
CHEBI:17348 biolink:ChemicalSubstance D-aldohexose 6-phosphate Any D-aldose having a six-carbon chain with a phosphate group at C-6. phenio.json 6-O-phosphono-D-glycero-hexose|D-glycero-hexose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17348 3_STAR
CHEBI:17349 biolink:ChemicalSubstance 5-methyl-5,6,7,8-tetrahydromethanopterin phenio.json 1-(4-{(1R)-1-[(6S,7S)-2-amino-5,7-dimethyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethylamino}phenyl)-1-deoxy-5-O-{5-O-[(1S)-1,3-dicarboxypropylphosphono]-alpha-D-ribofuranosyl}-D-ribitol|5-Methyl-5,6,7,8-tetrahydro-methanopterin|CH3-H4MPT|N(5)-Methyltetrahydromethanopterin http://purl.obolibrary.org/obo/CHEBI_17349 3_STAR
CHEBI:17351 biolink:ChemicalSubstance linoleic acid An octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. CAS:60-33-3|Drug_Central:3323|Gmelin:57557|HMDB:HMDB0000673|KEGG:C01595|KNApSAcK:C00001224|LIPID_MAPS_instance:LMFA01030120|MetaCyc:LINOLEIC_ACID|PDBeChem:EIC|PMID:11113630|PMID:11304127|PMID:11322990|PMID:14667063|PMID:14993245|PMID:15115315|PMID:15642793|PMID:15969511|PMID:16254037|PMID:16563718|PMID:17647039|PMID:18044828|PMID:18990554|PMID:19628674|PMID:19936816|PMID:23900039|PMID:24081493|PMID:6205897|Reaxys:1727101|Wikipedia:Linoleic_acid phenio.json (9Z,12Z)-Octadecadienoic acid|(9Z,12Z)-octadeca-9,12-dienoic acid|(Z,Z)-9,12-octadecadienoic acid|9-cis,12-cis-Octadecadienoic acid|9Z,12Z-octadecadienoic acid|C18:2 9c, 12c omega6 todos cis-9,12-octadienoico|C18:2, n-6,9 all-cis|LA|LINOLEIC ACID|Linoleic acid|acide cis-linoleique|acide linoleique|acido linoleico|all-cis-9,12-octadecadienoic acid|cis,cis-9,12-octadecadienoic acid|cis,cis-linoleic acid|cis-Delta(9,12)-octadecadienoic acid|linolic acid http://purl.obolibrary.org/obo/CHEBI_17351 3_STAR
CHEBI:173517 biolink:ChemicalSubstance N-Acetyl-p-benzoquinonimine Chemspider:26532009 phenio.json N-(2,5-dioxocyclohex-3-en-1-ylidene)acetamide http://purl.obolibrary.org/obo/CHEBI_173517 2_STAR
CHEBI:17352 biolink:ChemicalSubstance (R)-mandelamide A mandelamide in which the stereocentre at position 2 has R-configuration. KEGG:C07301|Reaxys:2575137 phenio.json (2R)-2-hydroxy-2-phenylacetamide|(R)-Mandelamide|(R)-mandelamide http://purl.obolibrary.org/obo/CHEBI_17352 3_STAR
CHEBI:17354 biolink:ChemicalSubstance 16beta-hydroxy steroid A 16-hydroxy steroid in which the hydroxy group at position 16 has a beta-configuration. KEGG:C03050|MetaCyc:16-BETA-HYDROXYSTEROID phenio.json 16beta-Hydroxysteroid|16beta-hydroxy steroids|a 16beta-hydroxysteroid http://purl.obolibrary.org/obo/CHEBI_17354 3_STAR
CHEBI:17355 biolink:ChemicalSubstance (S)-2-acetamido-6-oxopimelic acid KEGG:C05539 phenio.json (2S)-2-acetamido-6-oxoheptanedioic acid|L-2-Acetamido-6-oxoheptanedioate|L-2-Acetamido-6-oxopimelate|N-Acetyl-L-2-amino-6-oxopimelate http://purl.obolibrary.org/obo/CHEBI_17355 3_STAR
CHEBI:17356 biolink:ChemicalSubstance 2-acetamidofluorene The parent of the class of 2-acetamidofluorenes, being an ortho-fused polycyclic arene that consists of 9H-fluorene bearing an acetamido substituent at position 2. It is a carcinogenic and mutagenic derivative of fluorene. CAS:53-96-3|KEGG:C02778|LINCS:LSM-37153|PDBeChem:AFF|PMID:15380103|PMID:17434228|PMID:21417629|PMID:21668357|PMID:22514719|PMID:23536516|PMID:24021430|PMID:7151044|Reaxys:2807677|Wikipedia:2-Acetylaminofluorene phenio.json 2-(Acetylamino)fluorene|2-AAF|2-ACETYLAMINOFLUORENE-3-YL|2-Acetamidofluorene|2-Acetaminofluorene|2-Acetoaminofluorene|2-Acetylaminofluorene|2-FAA|2-acetamidofluorene|N-(9H-fluoren-2-yl)acetamide|N-2-Fluorenylacetamide|N-Acetyl-2-aminofluorene|N-fluoren-2-ylacetamide http://purl.obolibrary.org/obo/CHEBI_17356 3_STAR
CHEBI:17357 biolink:ChemicalSubstance L-rhamnonic acid Beilstein:1724577|CAS:6422-34-0|KEGG:C01934 phenio.json 6-deoxy-L-mannonic acid|L-Rhamnonate http://purl.obolibrary.org/obo/CHEBI_17357 3_STAR
CHEBI:17358 biolink:ChemicalSubstance N(4)-phosphoagmatine KEGG:C02726 phenio.json N4-Phosphoagmatine|[4-(carbamimidamido)butyl]phosphoramidic acid http://purl.obolibrary.org/obo/CHEBI_17358 3_STAR
CHEBI:17359 biolink:ChemicalSubstance sulfite A sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3). CAS:14265-45-3|Gmelin:1449|PDBeChem:SO3 phenio.json SO3|SO3(2-)|SULFITE ION|[SO3](2-)|sulfite|sulphite|trioxidosulfate(2-)|trioxosulfate(2-)|trioxosulfate(IV) http://purl.obolibrary.org/obo/CHEBI_17359 3_STAR
CHEBI:17360 biolink:ChemicalSubstance D-altronate Conjugate base of D-altronic acid. Beilstein:3906526|KEGG:C00817 phenio.json D-Altronate|D-altronate http://purl.obolibrary.org/obo/CHEBI_17360 3_STAR
CHEBI:17361 biolink:ChemicalSubstance cytidine 5'-monophosphate A pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase. CAS:63-37-6|DrugBank:DB03403|HMDB:HMDB0000095|KEGG:C00055|KEGG:G10621|MetaCyc:CMP|PDBeChem:C5P|PMID:21968653|PMID:22991951|PMID:24053133|PMID:2559771|Reaxys:46982 phenio.json 5'-cytidylic acid|CMP|Cytidine-5'-monophosphate|Cytidylic acid|cytidine 5'-monophosphate|cytidylate|pC http://purl.obolibrary.org/obo/CHEBI_17361 3_STAR
CHEBI:17362 biolink:ChemicalSubstance quinoline The simplest member of the quinoline class of compounds, comprising a benzene ring ortho fused to C-2 and C-3 of a pyridine ring. CAS:91-22-5|Gmelin:27201|HMDB:HMDB0033731|KEGG:C06413|KNApSAcK:C00026478|MetaCyc:QUINOLINE|PMID:16406213|PMID:8070089|Reaxys:107477|Wikipedia:Quinoline phenio.json Chinolin|Quinoline|benzo[b]pyridine|quinoline http://purl.obolibrary.org/obo/CHEBI_17362 3_STAR
CHEBI:17363 biolink:ChemicalSubstance D-ribulose 5-phosphate The D-enantiomer of ribulose 5-phosphate that is one of the end-products of the pentose phosphate pathway. CAS:4151-19-3|CAS:551-85-9|DrugBank:DB04034|HMDB:HMDB0000618|KEGG:C00199|MetaCyc:RIBULOSE-5P|PDBeChem:5RP|PMID:21253719|Wikipedia:Ribulose_5-phosphate phenio.json 5-O-phosphono-D-ribulose|D-Ribulose 5-phosphate|D-erythro-pent-2-ulose 5-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17363 3_STAR
CHEBI:17364 biolink:ChemicalSubstance D-aspartic acid The D-enantiomer of aspartic acid. CAS:1783-96-6|DrugBank:DB02655|Gmelin:602084|HMDB:HMDB0006483|KEGG:C00402|MetaCyc:CPD-302|PDBeChem:DAS|PMID:11419736|PMID:17118457|PMID:17407322|PMID:18318836|PMID:19860889|Reaxys:1723529 phenio.json (2R)-2-aminobutanedioic acid|(R)-2-aminobutanedioic acid|(R)-2-aminosuccinic acid|D-Asparaginsaeure|D-Aspartic acid|D-aspartic acid|DAS|aspartic acid D-form http://purl.obolibrary.org/obo/CHEBI_17364 3_STAR
CHEBI:17365 biolink:ChemicalSubstance 2,4-dichloro-cis,cis-muconic acid Beilstein:2091815|CAS:22752-97-2|KEGG:C03918 phenio.json (2E,4E)-2,4-dichlorohexa-2,4-dienedioic acid|(E,E)-2,4-dichloro-2,4-hexadienedioic acid|2,4-Dichloro-cis,cis-muconate http://purl.obolibrary.org/obo/CHEBI_17365 3_STAR
CHEBI:17367 biolink:ChemicalSubstance 2-hydroxy-6-oxonona-2,4-dienedioic acid phenio.json 2-hydroxy-6-oxonona-2,4-diene-1,9-dioic acid|2-hydroxy-6-oxonona-2,4-dienedioic acid http://purl.obolibrary.org/obo/CHEBI_17367 3_STAR
CHEBI:17368 biolink:ChemicalSubstance hypoxanthine A purine nucleobase that consists of purine bearing an oxo substituent at position 6. CAS:68-94-0|DrugBank:DB04076|ECMDB:ECMDB00157|Gmelin:464558|HMDB:HMDB0000157|KEGG:C00262|KNApSAcK:C00001502|MetaCyc:HYPOXANTHINE|PDBeChem:HPA|PMID:14253484|PMID:1557408|PMID:22735334|PMID:23400363|PMID:23670363|PMID:8016081|Reaxys:5811|Wikipedia:Hypoxanthine|YMDB:YMDB00555 phenio.json 1,7-dihydro-6H-purin-6-one|6(1H)-purinone|6-oxopurine|9H-purin-6(1H)-one|HYPOXANTHINE|Hyp|Hypoxanthine|Purine-6-ol|hypoxanthine|purin-6(1H)-one http://purl.obolibrary.org/obo/CHEBI_17368 3_STAR
CHEBI:17369 biolink:ChemicalSubstance D-mannose 6-phosphate A mannose phosphate in which the phosphate group is attached to position 6. CAS:3672-15-9|KEGG:C00275 phenio.json 6-O-phosphono-D-mannose|D-Mannose 6-phosphate|D-mannose 6-(dihydrogen phosphate)|Mannose 6-phosphate http://purl.obolibrary.org/obo/CHEBI_17369 3_STAR
CHEBI:17371 biolink:ChemicalSubstance macrocin A macrolide antibiotic that is tylonolide having mono- and diglycosyl moieties attached to two of its hydroxy groups. CAS:11049-15-3|KEGG:C00744|KNApSAcK:C00018716|Reaxys:6468979|Wikipedia:Macrocin phenio.json 3(sup C)-O-Demethyltylosin|Macrocin|Tylosin C|[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2-O-methyl-beta-D-allopyranoside http://purl.obolibrary.org/obo/CHEBI_17371 3_STAR
CHEBI:173719 biolink:ChemicalSubstance Curcumol CAS:4871-97-0|Chemspider:10226466 phenio.json (1S,2S,5S,8R,9S)-2-methyl-6-methylidene-9-propan-2-yl-11-oxatricyclo[6.2.1.01,5]undecan-8-ol http://purl.obolibrary.org/obo/CHEBI_173719 2_STAR
CHEBI:17372 biolink:ChemicalSubstance 1,2-dihydrovomilenine An indole alkaloid obtained by selective hydrogenation of the 1,2-position of vomilenine. KEGG:C11808|MetaCyc:12-DIHYDROVOMILENINE|PMID:11937349|PMID:12391554|PMID:35368755|Reaxys:10721827 phenio.json (2R)-1,2-dihydrovomilenine|1,2-Dihydrovomilenine|2-beta-(R)-1,2-Dihydrovomilenine|21alpha-hydroxy-22-norajmal-19-en-17alpha-yl acetate http://purl.obolibrary.org/obo/CHEBI_17372 3_STAR
CHEBI:17374 biolink:ChemicalSubstance N(6)-acetyl-N(6)-hydroxy-L-lysine CAS:88492-29-9|KEGG:C03955 phenio.json N(6)-acetyl-N(6)-hydroxy-L-lysine|N6-Acetyl-N6-hydroxy-L-lysine|N6-Acetyl-N6-hydroxylysine|N6-acetyl-N6-hydroxy-L-lysine http://purl.obolibrary.org/obo/CHEBI_17374 3_STAR
CHEBI:17375 biolink:ChemicalSubstance (2S)-2-hydroxy monocarboxylic acid A 2-hydroxy monocarboxylic acid in which the carbon at position 2 has (S)-configuration. phenio.json (2S)-2-hydroxy monocarboxylic acids|(S)-2-Hydroxy acid|(S)-2-Hydroxyalkanoic acid|(S)-2-Hydroxycarboxylic acid|(S)-2-Hydroxymonocarboxylic acid http://purl.obolibrary.org/obo/CHEBI_17375 3_STAR
CHEBI:17376 biolink:ChemicalSubstance cystine A sulfur-containing amino acid obtained by the oxidation of two cysteine molecules which are then linked via a disulfide bond. CAS:923-32-0|Gmelin:83347|KEGG:C01420|PMID:18608550|PMID:24327171|PMID:24525029|PMID:24525030|Reaxys:1728091|Wikipedia:Cystine phenio.json 3,3'-disulfanediylbis(2-aminopropanoic acid)|3,3'-dithiobis(2-aminopropanoic acid)|Cystin|Cystine|Dicysteine|Zystin|alpha-Diamino-beta-dithiolactic acid|cistina|cystine http://purl.obolibrary.org/obo/CHEBI_17376 3_STAR
CHEBI:17377 biolink:ChemicalSubstance bergaptol CAS:486-60-2|KEGG:C00758|KNApSAcK:C00000581 phenio.json 4-hydroxy-7H-furo[3,2-g]chromen-7-one|5-Hydroxyfuranocoumarin|5-Hydroxypsoralen|Bergaptol http://purl.obolibrary.org/obo/CHEBI_17377 3_STAR
CHEBI:17378 biolink:ChemicalSubstance D-glyceraldehyde The D-enantiomer of glyceraldehyde. Beilstein:5726453|CAS:367-47-5|CAS:453-17-8|ECMDB:ECMDB01051|KEGG:C00577|PDBeChem:3GR|Reaxys:1720474|YMDB:YMDB00575 phenio.json (2R)-2,3-dihydroxypropanal|D-(+)-glyceraldehyde|D-2,3-dihydroxypropanal|D-2,3-dihydroxypropionaldehyde|D-Glyceraldehyde|D-aldotriose|D-glyceraldehyde|D-glycerose|GLYCERALDEHYDE http://purl.obolibrary.org/obo/CHEBI_17378 3_STAR
CHEBI:17379 biolink:ChemicalSubstance isovitexin 2''-O-beta-D-glucoside A disaccharide derivative that is the 2"-O-beta-D-glucosyl derivative of isovitexin . CAS:60767-80-8|HMDB:HMDB0029484|KEGG:C04199|LIPID_MAPS_instance:LMPK12110217|MetaCyc:ISOVITEXIN-2-O-B-D-GLUCOSIDE|PMID:23123264|Reaxys:1417079 phenio.json (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-2-O-beta-D-glucopyranosyl-D-glucitol|Isovitexin 2''-O-beta-D-glucoside|Meloside A http://purl.obolibrary.org/obo/CHEBI_17379 3_STAR
CHEBI:17380 biolink:ChemicalSubstance 3-hydroxy-L-kynurenine CAS:606-14-4|KEGG:C03227|KNApSAcK:C00007443|MetaCyc:3-HYDROXY-L-KYNURENINE|PDBeChem:3DJ|YMDB:YMDB00105 phenio.json (2S)-2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid|3-(2-amino-3-hydroxybenzoyl)-L-alanine|3-(3-hydroxyanthraniloyl)-L-alanine|3-Hydroxy-L-kynurenine|L-3-hydroxykynurenine http://purl.obolibrary.org/obo/CHEBI_17380 3_STAR
CHEBI:17381 biolink:ChemicalSubstance porphobilinogen A dicarboxylic acid that is pyrole bearing aminomethyl, carboxymethyl and 2-carboxyethyl substituents at positions 2, 3 and 4 respectively. CAS:487-90-1|DrugBank:DB02272|HMDB:HMDB0000245|KEGG:C00931|KNApSAcK:C00007339|MetaCyc:PORPHOBILINOGEN|PDBeChem:PBG|PMID:21383008|PMID:21627493|PMID:22279024|PMID:22740490|PMID:22770225|PMID:22974111|Reaxys:220051|Wikipedia:Porphobilinogen phenio.json 3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid|Porphobilinogen http://purl.obolibrary.org/obo/CHEBI_17381 3_STAR
CHEBI:173817 biolink:ChemicalSubstance Tetrahydroneopterin CAS:25976-00-5|Chemspider:141864|HMDB:HMDB0000942 phenio.json 2-amino-6-(1,2,3-trihydroxypropyl)-5,6,7,8-tetrahydro-3H-pteridin-4-one http://purl.obolibrary.org/obo/CHEBI_173817 2_STAR
CHEBI:17382 biolink:ChemicalSubstance 5'-O-beta-D-glucosylpyridoxine AGR:ADL87012489|Beilstein:1499713|CAS:26545-80-2|Chemspider:389176|KEGG:C03996|PMID:12023280|PMID:12221231|PMID:12730423|PMID:15051835|PMID:1552357|PMID:7722696|PMID:8229303 phenio.json 5'-O-(beta-D-glucopyranosyl)pyridoxine|5'-O-(glucopyranosyl)pyridoxine|5'-O-beta-D-Glucosylpyridoxine|5'-O-beta-D-glucosylpyridoxine|5'-pyridoxine glucoside|[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl beta-D-glucopyranoside|beta-D-glucopyranoside pyridoxol|pyridoxine beta-glucoside|pyridoxine-5'-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_17382 3_STAR
CHEBI:17383 biolink:ChemicalSubstance GDP-D-glucose KEGG:C00394 phenio.json GDP-glucose|guanosine 5'-[3-(D-glucopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_17383 3_STAR
CHEBI:17384 biolink:ChemicalSubstance 17-O-acetylnorajmaline An indole alkaloid obtained by formal acetylation of the 17-hydroxy group of norajmaline. KEGG:C11809|MetaCyc:17-O-ACETYLNORAJMALINE|PMID:12391554 phenio.json (2beta,7beta,16xi,17R,20beta,21alpha)-21-hydroxy-2,7,19,20-tetrahydro-7,17-cyclosarpagan-17-yl acetate|17-O-Acetylnorajmaline|21alpha-hydroxy-22-norajmalan-17alpha-yl acetate http://purl.obolibrary.org/obo/CHEBI_17384 3_STAR
CHEBI:17385 biolink:ChemicalSubstance 3-(4-hydroxyphenyl)lactic acid A 2-hydroxy carboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. AGR:IND44688039|CAS:306-23-0|HMDB:HMDB0000755|KEGG:C03672|MetaCyc:4-HYDROXYPHENYLLACTATE|PMID:20226379|PMID:22752168|PMID:22770225|PMID:8582432|Reaxys:2693719 phenio.json 2-Hydroxy-3-(4-hydroxyphenyl)propanoate|2-Hydroxy-3-(p-hydroxyphenyl)propionic acid|2-hydroxy-3-(4-hydroxyphenyl)propanoic acid|4-Hydroxyphenyllactic acid|DL-p-Hydroxyphenyllactic acid|beta-(4-Hydroxyphenyl)lactic acid|beta-(p-Hydroxyphenyl)lactic acid|p-Hydroxyphenyl lactic acid http://purl.obolibrary.org/obo/CHEBI_17385 3_STAR
CHEBI:17387 biolink:ChemicalSubstance O-acylcarnitine Any carboxylic ester obtained by the O-acylation of carnitine. phenio.json http://purl.obolibrary.org/obo/CHEBI_17387 3_STAR
CHEBI:17388 biolink:ChemicalSubstance (S)-1-pyrroline-5-carboxylate A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (S)-1-pyrroline-5-carboxylic acid. HMDB:HMDB0001301|KEGG:C03912 phenio.json (2S)-3,4-dihydro-2H-pyrrole-2-carboxylate|(S)-1-pyrroline-5-carboxylate|S-1-pyrroline-5-carboxylate http://purl.obolibrary.org/obo/CHEBI_17388 3_STAR
CHEBI:17389 biolink:ChemicalSubstance 2-monoglyceride A monoglyceride in which the acyl substituent is located at position 2. KEGG:C02112 phenio.json 2-Acylglycerol|2-Glyceride|2-Monoacylglycerol|2-monoglycerides|a 2-acylglycerol http://purl.obolibrary.org/obo/CHEBI_17389 3_STAR
CHEBI:17390 biolink:ChemicalSubstance allocryptopine CAS:24240-04-8|CAS:485-91-6|KEGG:C02134|KNApSAcK:C00001799|PMID:17144252|PMID:21419197|PMID:29323165|PMID:30882133|PMID:31389311|PMID:31459055|PMID:32219908|PMID:34004513|PMID:35695648|PMID:36831001|PMID:9352312 phenio.json 3,4-dimethoxy-6-methyl-5,7,8,15-tetrahydrobenzo[c][1,3]benzodioxolo[5,6-g]azecin-14(6H)-one|5,7,8,15-Tetrahydro-3,4-dimethoxy-6-methyl(1,3)benzodioxolo(5,6-e)(2)benzazecin-14(6H)-one|Allocryptopine|Thalictrimine|allocryptopine|alpha-Allocryptopine|alpha-Fagarine|beta-Homochelidonine http://purl.obolibrary.org/obo/CHEBI_17390 3_STAR
CHEBI:17391 biolink:ChemicalSubstance 5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside KEGG:C04695 phenio.json (1S,2S,3R,4S,5S,6S)-3-(D-galactopyranosyloxy)-2,4,5,6-tetrahydroxycyclohexyl 1H-indol-3-ylacetate|5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside|5-O-(indol-3-ylacetyl)-myo-inositol D-galactoside http://purl.obolibrary.org/obo/CHEBI_17391 3_STAR
CHEBI:17393 biolink:ChemicalSubstance D-allose phenio.json D-All|D-allo-hexose|D-allose http://purl.obolibrary.org/obo/CHEBI_17393 3_STAR
CHEBI:17394 biolink:ChemicalSubstance N(5)-ethyl-L-glutamine A N(5)-alkylglutamine where the alkyl group is ethyl. It has been isolated from green tea. CAS:3081-61-6|HMDB:HMDB0034365|KEGG:C01047|PDBeChem:85G|PMID:20416364|PMID:22422488|PMID:23096008|PMID:23097345|PMID:23395732|PMID:24304633|Reaxys:1725586|Wikipedia:L-theanine phenio.json (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid|L-Theanine|L-theanine|N(5)-ethyl-L-glutamine|N5-Ethyl-L-glutamine http://purl.obolibrary.org/obo/CHEBI_17394 3_STAR
CHEBI:17396 biolink:ChemicalSubstance (R)-prunasin Beilstein:91509|CAS:99-18-3|KEGG:C00844 phenio.json (2R)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile|(R)-(beta-D-glucopyranosyloxy)phenylacetonitrile|(R)-Prunasin|(R)-alpha-(beta-D-glucopyranosyloxy)benzene-acetonitrile|(R)-mandelonitrile beta-D-glucopyranoside|(R)-mandelonitrile beta-D-glucoside|(R)-prunasin|D-prunasin|prunasin http://purl.obolibrary.org/obo/CHEBI_17396 3_STAR
CHEBI:17397 biolink:ChemicalSubstance 3-methyloxindole A member of the class of oxindoles that is oxindole (1,3-dihydro-2H-indol-2-one) in which one of the hydrogens at position 3 has been replaced by a methyl group. CAS:1504-06-9|KEGG:C02366 phenio.json 1,3-Dihydro-3-methyl-2H-indol-2-one|3-Methyloxindole|3-methyl-1,3-dihydro-2H-indol-2-one|3-methyl-1,3-dihydroindol-2-one|3-methyloxindole http://purl.obolibrary.org/obo/CHEBI_17397 3_STAR
CHEBI:17399 biolink:ChemicalSubstance L-xylulose CAS:527-50-4|KEGG:C00312 phenio.json L-Lyxulose|L-Xul|L-Xylulose|L-threo-Pentulose|L-threo-pent-2-ulose|L-xylulose http://purl.obolibrary.org/obo/CHEBI_17399 3_STAR
CHEBI:17400 biolink:ChemicalSubstance raucaffricine CAS:31282-07-2|KEGG:C02074|KNApSAcK:C00024300|KNApSAcK:C00024346 phenio.json (16S,17R,19E)-21alpha-(beta-D-glucopyranosyloxy)-1,2-didehydro-2,7-dihydro-7beta,17-cyclosarpagan-17-yl acetate|Raucaffricine|raucaffricine http://purl.obolibrary.org/obo/CHEBI_17400 3_STAR
CHEBI:17401 biolink:ChemicalSubstance myo-inositol hexakisphosphate A myo-inositol hexakisphosphate in which each hydroxy group of myo-inositol is monophosphorylated. CAS:83-86-3|Drug_Central:3465|KEGG:C01204|MetaCyc:HEXAKISPHOSPHATE|PMID:11217149|PMID:11545369|PMID:12070948|PMID:12162428|PMID:12816787|PMID:12949395|PMID:15325752|PMID:15743020|PMID:15918884|PMID:15952339|PMID:15998131|PMID:16438310|PMID:17162330|PMID:18536177|PMID:19331859|PMID:21292245|PMID:22023391|PMID:6095072|Reaxys:2201952|Wikipedia:Phytic_acid phenio.json 1D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate|1D-myo-Inositol hexakisphosphate|D-myo-Inositol 1,2,3,4,5,6-hexakisphosphate|Inosithexaphosphorsaeure|Phytate|Phytic acid|Phytine|Saeure des phytins|acide fytique|acido fitico|acidum fyticum|myo-Inositol hexakisphosphate|myo-inositol 1,2,3,4,5,6-hexakisphosphate|myo-inositol hexakis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17401 3_STAR
CHEBI:17402 biolink:ChemicalSubstance 2-methylpropanoyl phosphate KEGG:C03754 phenio.json 2-Methylpropanoyl phosphate|2-Methylpropionyl phosphate|2-methylpropanoyl dihydrogen phosphate|isobutyryl phosphate http://purl.obolibrary.org/obo/CHEBI_17402 3_STAR
CHEBI:17403 biolink:ChemicalSubstance 3-chloro-L-alanine A 3-chloroalanine that has R configutation at the chiral centre. CAS:2731-73-9|KEGG:C02635|LINCS:LSM-6205|PDBeChem:C22|PMID:33167 phenio.json 3-Chloro-L-alanine|3-chloro-L-alanine http://purl.obolibrary.org/obo/CHEBI_17403 3_STAR
CHEBI:17405 biolink:ChemicalSubstance 4-pyridoxic acid A methylpyridine that is 2-methylpyridine substituted by a hydroxy group at C-3, a carboxy group at C-4, and a hydroxymethyl group at C-5. It is the catabolic product of vitamin B6 and is excreted in the urine. CAS:82-82-6|Chemspider:6467|FooDB:FDB021874|HMDB:HMDB0000017|KEGG:C00847|KNApSAcK:C00052160|MetaCyc:CPD-1112|PMID:11756060|PMID:1462525|PMID:14747687|PMID:1783639|PMID:17868768|PMID:22770225|PMID:23535534|PMID:2580028|PMID:28778380|PMID:30845778|PMID:32346589|PMID:8505768|Reaxys:384006 phenio.json 2-methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine|3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid|3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid|3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylic acid|4-Pyridoxic acid|4-Pyridoxinsaeure|4-pyridoxinecarboxylic acid|4-pyridoxinic acid|4-pyridoxylic acid|pyridoxic acid http://purl.obolibrary.org/obo/CHEBI_17405 3_STAR
CHEBI:17406 biolink:ChemicalSubstance 3-(imidazol-5-yl)pyruvic acid An oxo carboxylic acid that is pyruvic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group. KEGG:C03277 phenio.json 3-(1H-imidazol-5-yl)-2-oxopropanoic acid|3-(Imidazol-5-yl)pyruvate|Imidazol-5-yl-pyruvate|Imidazole pyruvate|Imidazole pyruvic acid http://purl.obolibrary.org/obo/CHEBI_17406 3_STAR
CHEBI:17407 biolink:ChemicalSubstance 2-trans,6-trans-farnesyl diphosphate The trans,trans-stereoisomer of farnesyl diphosphate. CAS:13058-04-3|CAS:372-97-4|KEGG:C00448|KNApSAcK:C00000907|KNApSAcK:C00007268|LIPID_MAPS_instance:LMPR0103010002|PDBeChem:FPP|PMID:7753173|Reaxys:2482197 phenio.json (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate|(2E,6E)-Farnesyl diphosphate|(2E,6E)-farnesol diphosphate|(2E,6E)-farnesyl diphosphate|(2E,6E)-farnesyl pyrophosphate|(E,E)-farnesyl pyrophosphate|(all-E)-farnesyl diphosphate|2-trans,6-trans-Farnesyl diphosphate|2-trans,6-trans-farnesyl diphosphate|2-trans,6-trans-farnesyl pyrophosphate|FARNESYL DIPHOSPHATE|Farnesyl diphosphate|Farnesyl pyrophosphate|all-trans-farnesyl pyrophosphate|trans,trans-Farnesyl diphosphate|trans,trans-farnesyl diphosphate|trans-trans-farnesyl diphosphate http://purl.obolibrary.org/obo/CHEBI_17407 3_STAR
CHEBI:17408 biolink:ChemicalSubstance monoacylglycerol A glyceride in which any one of the R groups (position not specified) is an acyl group while the remaining two R groups can be either H or alkyl groups. KEGG:C15590|MetaCyc:Monoacylglycerols|Wikipedia:Monoglyceride phenio.json Acylglycerol|Glyceride|Monoacylglycerol|Monoglyceride|a monoacylglycerol|mono-O-acylglycerols|monoacylglycerols|monoglycerides http://purl.obolibrary.org/obo/CHEBI_17408 3_STAR
CHEBI:17409 biolink:ChemicalSubstance 10-hydroxycapric acid A 10-carbon, omega-hydroxy fatty acid, shown to be the preferred hydroxylation product (together with the 9-OH isomer) of capric acid in biosystems, and used as a standard in lipid assays; reported to have cytotoxic effects. CAS:1679-53-4|KEGG:C02774|LIPID_MAPS_instance:LMFA01050033|MetaCyc:10-HYDROXYDECANOATE|PMID:113393|PMID:15134144|PMID:1839651|Reaxys:1705390 phenio.json 10-Hydroxydecanoate|10-Hydroxydecanoic acid|10-OH-capric acid|10-OH-decanoic acid|10-hydroxycapric acid|10-hydroxydecanoic acid http://purl.obolibrary.org/obo/CHEBI_17409 3_STAR
CHEBI:17410 biolink:ChemicalSubstance pteridine-2,4,6,7-tetrol Beilstein:791466|KEGG:C03178 phenio.json Tetrahydroxypteridine|pteridine-2,4,6,7-tetrol http://purl.obolibrary.org/obo/CHEBI_17410 3_STAR
CHEBI:17411 biolink:ChemicalSubstance aldehydo-N-acetyl-D-glucosamine The open-chain form of N-acetyl-D-glucosamine. DrugBank:DB00141 phenio.json 2-Acetamido-2-deoxy-D-glucose|2-acetamido-2-deoxy-D-glucose|D-GlcNAc|N-Acetyl-D-glucosamine|N-Acetylchitosamine http://purl.obolibrary.org/obo/CHEBI_17411 3_STAR
CHEBI:17412 biolink:ChemicalSubstance R'C(R)S-S(R)CR' Any disulfide with structure R'C(R)S-S(R)CR' in which R and R' can be =S or =O, or a variety of other groups. KEGG:C02318 phenio.json R'C(R)S-S(R)CR' http://purl.obolibrary.org/obo/CHEBI_17412 3_STAR
CHEBI:17413 biolink:ChemicalSubstance 2-(hydroxymethyl)-4-oxobutanoic acid A 4-oxo monocarboxylic acid that is 4-oxobutanoic acid which is substituted by a hydroxymethyl group at position 2. KEGG:C04106 phenio.json 2-(Hydroxymethyl)-4-oxobutanoate|2-(hydroxymethyl)-4-oxobutanoic acid|2-Hydroxymethyl succinate semialdehyde|alpha-Hydroxymethyl succinate semialdehyde http://purl.obolibrary.org/obo/CHEBI_17413 3_STAR
CHEBI:17415 biolink:ChemicalSubstance 2,5-dioxopentanoic acid KEGG:C00433|PDBeChem:DO4 phenio.json 2,5-Dioxopentanoate|2,5-dioxopentanoic acid|2-Oxoglutarate semialdehyde http://purl.obolibrary.org/obo/CHEBI_17415 3_STAR
CHEBI:17416 biolink:ChemicalSubstance 3,4-dihydroxyphthalic acid CAS:82784-82-5|KEGG:C03223 phenio.json 3,4-Dihydroxyphthalate|3,4-Dihydroxyphthalic acid|3,4-dihydroxyphthalic acid http://purl.obolibrary.org/obo/CHEBI_17416 3_STAR
CHEBI:17417 biolink:ChemicalSubstance N-caffeoylputrescine KNApSAcK:C00002719 phenio.json (2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)acrylamide|(2E)-N-(4-aminobutyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide|N-Caffeoylputrescine http://purl.obolibrary.org/obo/CHEBI_17417 3_STAR
CHEBI:17418 biolink:ChemicalSubstance valeric acid A straight-chain saturated fatty acid containing five carbon atoms. CAS:109-52-4|DrugBank:DB02406|Gmelin:26714|HMDB:HMDB0000892|KEGG:C00803|KNApSAcK:C00001208|LIPID_MAPS_instance:LMFA01010005|PDBeChem:LEA|PMID:20507156|PPDB:3130|Reaxys:969454|Wikipedia:Valeric_acid phenio.json 1-butanecarboxylic acid|CH3-[CH2]3-COOH|PENTANOIC ACID|Pentanoate|Pentanoic acid|Valerate|Valerianic acid|Valeriansaeure|Valeric acid|n-BuCOOH|n-Pentanoate|n-Valeric acid|n-pentanoic acid|n-valeric acid|pentanoic acid|pentoic acid|propylacetic acid|valeric acid, normal http://purl.obolibrary.org/obo/CHEBI_17418 3_STAR
CHEBI:17419 biolink:ChemicalSubstance 3-hydroxy-cis,cis-muconic acid KEGG:C03676 phenio.json (2E,4Z)-3-hydroxyhexa-2,4-dienedioic acid|3-Hydroxy-cis,cis-muconate|3-hydroxy-cis,cis-muconate http://purl.obolibrary.org/obo/CHEBI_17419 3_STAR
CHEBI:17420 biolink:ChemicalSubstance tetrahydropteroyltri-L-glutamic acid KEGG:C04144 phenio.json N-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid|Tetrahydropteroyltri-L-glutamate http://purl.obolibrary.org/obo/CHEBI_17420 3_STAR
CHEBI:17421 biolink:ChemicalSubstance heparan sulfate N-acetyl-alpha-D-glucosaminide A heparan sulfate having an N-acetyl-alpha-D-glucosaminyl residue at the non-reducing end. The heparan sulfate part consists of a variably sulfated repeating disaccharide unit. KEGG:C04649 phenio.json Heparan sulfate N-acetyl-alpha-D-glucosaminide http://purl.obolibrary.org/obo/CHEBI_17421 3_STAR
CHEBI:17422 biolink:ChemicalSubstance P(1),P(4)-bis(5'-adenosyl) tetraphosphate A diadenosyl tetraphosphate compound having the two 5'-adenosyl residues attached at the P(1)- and P(4)-positions. KEGG:C01260|PDBeChem:B4P phenio.json (ppA)2|A(5')p4(5')A|AppppA|P1,P4-Bis(5'-adenosyl) tetraphosphate|adenosine(5')tetraphospho(5')adenosine|bis(5'-adenylyl) diphosphate http://purl.obolibrary.org/obo/CHEBI_17422 3_STAR
CHEBI:174220 biolink:ChemicalSubstance Atherosperminine CAS:5531-98-6|Chemspider:87510|HMDB:HMDB0030304 phenio.json 2-(3,4-dimethoxyphenanthren-1-yl)-N,N-dimethylethanamine http://purl.obolibrary.org/obo/CHEBI_174220 2_STAR
CHEBI:17424 biolink:ChemicalSubstance 4-carboxy-2-hydroxy-cis,cis-muconic acid KEGG:C04324|Reaxys:2265115 phenio.json (1E,3E)-4-hydroxybuta-1,3-diene-1,2,4-tricarboxylic acid|4-Carboxy-2-hydroxy-cis,cis-muconate|4-Carboxy-2-hydroxyhexa-2,4-cis,cis-dienedioate|4-carboxy-2-hydroxy-cis,cis-muconate http://purl.obolibrary.org/obo/CHEBI_17424 3_STAR
CHEBI:17425 biolink:ChemicalSubstance 1-pyrroline-2-carboxylate The anion resulting from the removal of a proton from the carboxylic acid group of 1-pyrroline-2-carboxylic acid. Beilstein:6191120|KEGG:C03564 phenio.json 3,4-dihydro-2H-pyrrole-5-carboxylate|Delta(1)-pyrroline 2-carboxylate http://purl.obolibrary.org/obo/CHEBI_17425 3_STAR
CHEBI:17426 biolink:ChemicalSubstance 5-dehydro-D-gluconic acid KEGG:C01062 phenio.json 5-Dehydro-D-gluconate|5-Dehydrogluconate|5-dehydro-D-gluconate|D-xylo-hex-5-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_17426 3_STAR
CHEBI:17427 biolink:ChemicalSubstance 3-hydroxy-L-aspartate residue An anionic amino-acid residue resulting from the deprotonation of the carboxy group of a 3-hydroxy-L-aspartic acid residue. KEGG:C03957|MetaCyc:Peptide-3-hydroxy-L-Aspartates phenio.json (2S)-3-hydroxyaspartate residue|3-hydroxy-L-aspartate residue|Peptide 3-hydroxy-L-aspartate http://purl.obolibrary.org/obo/CHEBI_17427 3_STAR
CHEBI:17428 biolink:ChemicalSubstance (R)-reticuline Beilstein:1553521|Beilstein:4716908|CAS:3968-19-2|KEGG:C05178|Wikipedia:Reticuline phenio.json (-)-reticuline|(1R)-1,2,3,4-Tetrahydro-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-7-isoquinolinol|(1R)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol|(R)-(-)-reticuline|(R)-Reticuline http://purl.obolibrary.org/obo/CHEBI_17428 3_STAR
CHEBI:174288 biolink:ChemicalSubstance 4-Nerolidylcatechol CAS:74683-11-7|Chemspider:4509046|HMDB:HMDB0031924 phenio.json 4-[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]benzene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_174288 2_STAR
CHEBI:17429 biolink:ChemicalSubstance 3-ketosucrose A glycosyl glycoside which is an intermediate in the breakdown of sucrose. The structure is that of sucrose in which the glucosyl 3-hydroxy group has been reduced to a keto group. CAS:1883-12-1|KEGG:C05731|KEGG:G10585|MetaCyc:CPD-384|PMID:13960188|PMID:6038493|PMID:7546608|PMID:8180983|PMID:9210346 phenio.json 3'-ketosucrose|3-Dehydro-alpha-D-glucosyl-beta-D-fructofuranoside|3-Ketosucrose|3-Oxosucrose|3-dehydro-alpha-D-glucosyl beta-D-fructofuranoside|3-dehydro-alpha-D-glucosyl-beta-D-fructofuranoside|beta-D-fructofuranosyl alpha-D-ribo-hexopyranosid-3-ulose http://purl.obolibrary.org/obo/CHEBI_17429 3_STAR
CHEBI:17431 biolink:ChemicalSubstance agmatine CAS:306-60-5|KEGG:C00179|KNApSAcK:C00001400 phenio.json (4-Aminobutyl) guanidine|(4-aminobutyl)guanidine|1-(4-aminobutyl)guanidine|Agmatine|N-(4-aminobutyl)guanidine http://purl.obolibrary.org/obo/CHEBI_17431 3_STAR
CHEBI:174315 biolink:ChemicalSubstance Cocaethylene CAS:529-38-4|Chemspider:559082 phenio.json ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_174315 2_STAR
CHEBI:17433 biolink:ChemicalSubstance queuine CAS:72496-59-4|DrugBank:DB02245|KEGG:C01449|MetaCyc:QUEUINE|PDBeChem:QEI phenio.json 2-amino-5-{[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-ylamino]methyl}-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one|7-(3,4-trans-4,5-cis-dihydroxy-1-cyclopenten-3-ylaminomethyl)-7-deazaguanine|Base Q|Queuine|queuine http://purl.obolibrary.org/obo/CHEBI_17433 3_STAR
CHEBI:17434 biolink:ChemicalSubstance trimethylsulfonium A sulfonium compound in which the substituents on sulfur are three methyl groups. It is found in the midgut gland of the sea hare, Aplysia brasiliana, and exhibits probable ability to inhibit cholinergic responses. CAS:676-84-6|Gmelin:305401|HMDB:HMDB0012295|KEGG:C01008|PMID:11960200|Reaxys:1811612|Wikipedia:Trimethylsulfonium phenio.json Trimethylsulfonium|trimethylsulfonium http://purl.obolibrary.org/obo/CHEBI_17434 3_STAR
CHEBI:17435 biolink:ChemicalSubstance naphthalene-1,2-diol Beilstein:1908498|CAS:574-00-5|DrugBank:DB07610|Gmelin:241000|KEGG:C03012|UM-BBD_compID:c0129 phenio.json 1,2-Dihydroxynaphthalene|1,2-Naphthalenediol|1,2-naphthohydroquinone|Naphthalene-1,2-diol|beta-Naphthohydroquinone|beta-naphthohydroquinone|naphthalene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_17435 3_STAR
CHEBI:17436 biolink:ChemicalSubstance (R)-5-phosphomevalonic acid A carboxyalkyl phosphate that is mevalonic acid phosphorylated at position 5. KEGG:C01107|KNApSAcK:C00007304|PDBeChem:PMV phenio.json (3R)-3-hydroxy-3-methyl-5-(phosphonooxy)pentanoic acid|(R)-5-Phosphomevalonate|(R)-5-Phosphomevaloonic acid|(R)-5-phosphomevalonate|(R)-Mevalonic acid 5-phosphate http://purl.obolibrary.org/obo/CHEBI_17436 3_STAR
CHEBI:17437 biolink:ChemicalSubstance dimethyl sulfide A methyl sulfide in which the sulfur atom is substituted by two methyl groups. It is produced naturally by some marine algae. CAS:75-18-3|HMDB:HMDB0002303|KEGG:C00580|MetaCyc:CPD-7670|MolBase:1888|PDBeChem:MSM|PMID:17347819|PMID:19505855|PMID:24591607|PMID:24601952|Reaxys:1696847|UM-BBD_compID:c0237|Wikipedia:Dimethyl_sulfide phenio.json (METHYLSULFANYL)METHANE|(methylsulfanyl)methane|2-thiapropane|DMS|Dimethyl sulfide|Methyl sulfide|Methyl thioether|[SMe2]|dimethyl sulfide|dimethyl sulphide http://purl.obolibrary.org/obo/CHEBI_17437 3_STAR
CHEBI:174376 biolink:ChemicalSubstance rhapontigenin A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 5, while the other phenyl group is substituted by a hydroxy group at position 3 and a methoxy group at position 4. CAS:500-65-2|Chemspider:4478875|FooDB:FDB008524|HMDB:HMDB0031842|KNApSAcK:C00015562|PMID:11259321|PMID:16401387|PMID:17132206|PMID:17558811|PMID:20134237|PMID:21628883|PMID:21782194|PMID:22662760|PMID:23221688|PMID:24828286|PMID:25127020|PMID:26598549|PMID:26986649|PMID:30203690|PMID:30666906|PMID:30820014|PMID:34363627|PMID:35520676|PMID:36535555|PMID:36558013|PMID:37295229|PMID:37507902|PMID:37627335|PMID:38746013|PMID:39344244|Wikipedia:Rhapontigenin phenio.json (E)-3,3',5-trihydroxy-4'-methoxystibene|3,3',5-trihydroxy-4'-methoxystilbene|4'-methoxy-3,3',5-trihydroxystilbene|5-[(1E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-1,3-benzenediol|5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]benzene-1,3-diol|piceatannol 4'-methyl ether|pontigenin|prontigenin|protigenin|rhapontigenin|rhapontin aglycone|rhapontin genin http://purl.obolibrary.org/obo/CHEBI_174376 3_STAR
CHEBI:17438 biolink:ChemicalSubstance O-beta-D-xylosylzeatin KEGG:C03300 phenio.json 2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-yl beta-D-xylopyranoside|O-beta-D-Xylosylzeatin|O-beta-D-Xyloxylzeatin|O-beta-D-xylosylzeatin http://purl.obolibrary.org/obo/CHEBI_17438 3_STAR
CHEBI:17439 biolink:ChemicalSubstance cyanocob(III)alamin A complex cob(III)alamin in which cobalt is positioned in the centre of a planar corrin tetrapyrrole ring and bound axially to a 5,6-dimethylbenzimidazole moiety and a cyano group. It is one of several forms of the vitamin known as vitamin B12. CAS:68-19-9|DrugBank:DB00115|Gmelin:249901|Gmelin:457955|KEGG:C02823|KEGG:D00166|KNApSAcK:C00001534|PDBeChem:CNC|PMID:29286160 phenio.json CN-Cbl|CO-CYANOCOBALAMIN|Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide|Cyanocob(III)alamin|Dicopac|Vitamin B12 complex|cyanocob(III)alamin|cyanocobalamin|vitamin B-12 http://purl.obolibrary.org/obo/CHEBI_17439 3_STAR
CHEBI:17441 biolink:ChemicalSubstance chlorite CAS:14998-27-7 phenio.json ClO2(-)|[ClO2](-)|chlorite|dioxidochlorate(1-) http://purl.obolibrary.org/obo/CHEBI_17441 3_STAR
CHEBI:17442 biolink:ChemicalSubstance 4-(2-aminophenyl)-2,4-dioxobutanoic acid KEGG:C01252 phenio.json 4-(2-Aminophenyl)-2,4-dioxobutanoate|4-(2-aminophenyl)-2,4-dioxobutanoic acid http://purl.obolibrary.org/obo/CHEBI_17442 3_STAR
CHEBI:17443 biolink:ChemicalSubstance L-homocitrulline A L-lysine derivative that is L-lysine having a carbamoyl group at the N(6)-position. It is found in individuals with urea cycle disorders. CAS:1190-49-4|HMDB:HMDB0000679|KEGG:C02427|MetaCyc:CPD-161|PMID:2432665|PMID:2474087|PMID:518684|PMID:6821687|PMID:901434|PMID:901435|Reaxys:1726129 phenio.json (2S)-2-amino-6-(carbamoylamino)hexanoic acid|L-Homocitrulline|N(6)-(aminocarbonyl)-L-lysine|N(6)-carbamoyl-L-lysine http://purl.obolibrary.org/obo/CHEBI_17443 3_STAR
CHEBI:17445 biolink:ChemicalSubstance 3-hydroxyphenylacetic acid A monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group. CAS:621-37-4|HMDB:HMDB0000440|KEGG:C05593|MetaCyc:3-HYDROXYPHENYLACETATE|PDBeChem:3HP|PMID:19083460|PMID:20579527|PMID:22919580|PMID:23319439|PMID:24287915|PMID:5350345|PMID:7264927|Patent:US5639643|Reaxys:2086506 phenio.json (3-hydroxyphenyl)acetic acid|(m-hydroxyphenyl)acetic acid|3-Hydroxyphenylacetic acid|3-hydroxybenzeneacetic acid|m-hydroxyphenylacetic acid http://purl.obolibrary.org/obo/CHEBI_17445 3_STAR
CHEBI:17446 biolink:ChemicalSubstance 3-D-glucuronosyl-N(2),6-disulfo-beta-D-glucosamine KEGG:C04674|KEGG:G10530 phenio.json 2-deoxy-3-O-(D-glucopyranosyluronic acid)-6-O-sulfo-2-(sulfoamino)-beta-D-glucopyranose|3-D-Glucuronosyl-N2,6-disulfo-beta-D-glucosamine http://purl.obolibrary.org/obo/CHEBI_17446 3_STAR
CHEBI:17447 biolink:ChemicalSubstance geraniol A monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end. BPDB:2374|Beilstein:1722456|CAS:106-24-1|Gmelin:185248|KEGG:C01500|KNApSAcK:C00000845|LIPID_MAPS_instance:LMPR0102010016|PMID:18824010|PMID:20573166|PMID:23102596|PMID:23108028|PMID:23168261|PMID:23200656|PMID:23399806|PMID:23415329|PMID:23499697|PMID:23510343|VSDB:2374|Wikipedia:Geraniol phenio.json (2E)-3,7-dimethyl-2,6-octadien-1-ol|(2E)-3,7-dimethylocta-2,6-dien-1-ol|(2E)-geraniol|(E)-3,7-dimethyl-2,6-octadien-1-ol|(E)-geraniol|(E)-nerol|2-trans-3,7-Dimethyl-2,6-octadien-1-ol|3,7-dimethyl-trans-2,6-octadien-1-ol|Geraniol|geranyl alcohol|lemonol|t-geraniol|trans-3,7-dimethyl-2,6-octadien-1-ol|trans-geraniol http://purl.obolibrary.org/obo/CHEBI_17447 3_STAR
CHEBI:17448 biolink:ChemicalSubstance methanofuran CAS:89873-36-9|KEGG:C00862 phenio.json 4-[N-(4,5,7-tricarboxyheptanoyl)-gamma-L-glutamyl-gamma-L-glutamyl-4-(2-aminoethyl)phenoxymethyl]-2-(aminomethyl)furan|Carbon dioxide reduction factor|Cdr factor|L-Glutamine, N-(2-(4-((5-(aminomethyl)-3-furanyl)methoxy)phenyl)ethyl)-N2-(N-(4,5,7-tricarboxy-1-oxoheptyl)-L-gamma-glutamyl)-|Methanofuran|N(2)-[rel-(4R,5S)-4,5,7-tricarboxyheptanoyl]-L-gamma-glutamyl-N(5)-[2-(4-{[5-(aminomethyl)-3-furyl]methoxy}phenyl)ethyl]-L-glutamine http://purl.obolibrary.org/obo/CHEBI_17448 3_STAR
CHEBI:17450 biolink:ChemicalSubstance cis-4-coumaric acid The cis-form of 4-coumaric acid. CAS:4501-31-9|KEGG:C06738|KNApSAcK:C00038791|Reaxys:2207382 phenio.json (2Z)-3-(4-hydroxyphenyl)acrylic acid|(2Z)-3-(4-hydroxyphenyl)prop-2-enoic acid|(Z)-3-(4-hydroxyphenyl)-2-propenoic acid|(Z)-p-coumaric acid|(Z)-p-hydroxycinnamic acid|cis-4-hydroxycinnamic acid|cis-p-Coumarate|cis-p-coumaric acid|cis-p-coumarinic acid|cis-p-hydroxycinnamic acid http://purl.obolibrary.org/obo/CHEBI_17450 3_STAR
CHEBI:17453 biolink:ChemicalSubstance methylmalonate(2-) A C4-dicarboxylate resulting from the removal of a proton from both carboxylic acid groups of methylmalonic acid. Gmelin:142212|KEGG:C02170|MetaCyc:CPD-546|Reaxys:3904597 phenio.json methylmalonate|methylmalonate dianion|methylpropanedioate http://purl.obolibrary.org/obo/CHEBI_17453 3_STAR
CHEBI:17454 biolink:ChemicalSubstance UDP-L-rhamnose A UDP-rhamnose in which the rhamnose component has L-configuration. phenio.json uridine 5'-[3-(6-deoxy-L-mannopyranosyl) dihydrogen diphosphate]|uridine 5'-[3-(L-rhamnopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_17454 3_STAR
CHEBI:174541 biolink:ChemicalSubstance Licochalcone A CAS:58749-22-7|Chemspider:4477422|LINCS:LSM-44661|LIPID_MAPS_instance:LMPK12120424 phenio.json (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one http://purl.obolibrary.org/obo/CHEBI_174541 2_STAR
CHEBI:17455 biolink:ChemicalSubstance N-(2,3-dihydroxybenzoyl)-L-serine KEGG:C04204|PDBeChem:DBS phenio.json 2,3-Dihydroxy-N-benzoyl-L-serine|N-(2,3-Dihydroxybenzoyl)-L-serine|N-(2,3-dihydroxybenzoyl)-L-serine http://purl.obolibrary.org/obo/CHEBI_17455 3_STAR
CHEBI:17456 biolink:ChemicalSubstance dithioerythritol The meso-diastereomer of 1,4-dimercaptobutane-2,3-diol; a sulfur-containing sugar derived from the monosaccharide erythrose; and an epimer of dithiothreitol. CAS:6892-68-8|DrugBank:DB01692|Gmelin:863505|KEGG:C00950|PDBeChem:DTU|PMID:14192894|PMID:16901854|PMID:22684514|PMID:22845804|PMID:23402788|Reaxys:1719756|Wikipedia:Dithioerythritol phenio.json (2R*,3S*)-1,4-dimercapto-2,3-butanediol|(2R,3S)-1,4-dimercaptobutane-2,3-diol|(2R,3S)-1,4-disulfanylbutane-2,3-diol|1,4-dithioerythritol|DTE|Dithioerythritol|dithioerythritol|erythro-1,4-Dimercapto-2,3-butanediol http://purl.obolibrary.org/obo/CHEBI_17456 3_STAR
CHEBI:17457 biolink:ChemicalSubstance 14'-apo-beta-carotenal Beilstein:2056663|CAS:6985-27-9|KEGG:C06734 phenio.json 14'-apo-beta,psi-carotenal|14'-apo-beta-Carotenal|14'-apo-beta-caroten-14'-al|14'-apo-beta-carotenal|beta-apo-14'-carotenal http://purl.obolibrary.org/obo/CHEBI_17457 3_STAR
CHEBI:17458 biolink:ChemicalSubstance N-methyltyramine CAS:370-98-9|KEGG:C02442|KNApSAcK:C00027432|LINCS:LSM-37200 phenio.json 4-Hydroxy-N-methylphenethylamine|4-[2-(methylamino)ethyl]phenol|Methyl-4-tyramine|N-Methyltyramine|p-(2-Methylaminoethyl)phenol http://purl.obolibrary.org/obo/CHEBI_17458 3_STAR
CHEBI:17459 biolink:ChemicalSubstance D-iditol The D-enantiomer of iditol. CAS:25878-23-3|KEGG:C01489|MetaCyc:CPD-357|PMID:16232515|PMID:18175917|Reaxys:1721905 phenio.json (2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol|D-Idit|D-Iditol|D-iditol http://purl.obolibrary.org/obo/CHEBI_17459 3_STAR
CHEBI:17460 biolink:ChemicalSubstance lipoamide A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of lipoic acid with ammonia. CAS:940-69-2|Gmelin:1126642|HMDB:HMDB0000962|KEGG:C00248|KEGG:D00048|LIPID_MAPS_instance:LMFA08010006|MetaCyc:LIPOAMIDE|PMID:10224250|PMID:21108628|PMID:21521794|Reaxys:122470|Wikipedia:Lipoamide phenio.json 1,2-dithiolane-3-pentanamide|5-(1,2-dithiolan-3-yl)pentanamide|Lipoamide|Thioctamide|Thioctic acid amide|alpha-lipoic acid amide|lipoacin|vitamin N http://purl.obolibrary.org/obo/CHEBI_17460 3_STAR
CHEBI:174623 biolink:ChemicalSubstance Gamma-glutamyl-Lysine Chemspider:58747|HMDB:HMDB0029154 phenio.json (2S)-6-amino-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]hexanoic acid http://purl.obolibrary.org/obo/CHEBI_174623 2_STAR
CHEBI:17464 biolink:ChemicalSubstance L-galactono-1,4-lactone A galactonolactone that is 3,4-dihydroxydihydrofuran-2(3H)-one substituted by a 1,2-dihydroxyethyl group at position 5 (the 3S,4S,5R-isomer). CAS:1668-08-2|KEGG:C01115|KNApSAcK:C00007388|MetaCyc:CPD-330|PMID:11005203|Reaxys:83005 phenio.json (3S,4S,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one|L-Galactono-1,4-lactone|L-galactono-1,4-lactone http://purl.obolibrary.org/obo/CHEBI_17464 3_STAR
CHEBI:17465 biolink:ChemicalSubstance phaseollidin hydrate A member of the class of pterocarpans that is phaseollidin in which the prenyl group is replaced by a 3-hydroxy-3-methylbutyl group. KEGG:C05229 phenio.json (6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol|Phaseollidin hydrate|phaseollidin hydrate http://purl.obolibrary.org/obo/CHEBI_17465 3_STAR
CHEBI:17466 biolink:ChemicalSubstance GDP-D-mannuronate A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-D-mannuronic acid; major species at pH 7.3. MetaCyc:CPD-1828 phenio.json guanosine 5'-[3-(D-mannopyranosyluronate) diphosphate] http://purl.obolibrary.org/obo/CHEBI_17466 3_STAR
CHEBI:17467 biolink:ChemicalSubstance 4-(dimethylamino)phenylazoxybenzene KEGG:C04291 phenio.json 1-[4-(dimethylamino)phenyl]-2-phenyldiazene 2-oxide|4-(Dimethylamino)phenylazoxybenzene|4-(dimethylamino)phenylazoxybenzene|N,N-dimethyl-4-(phenyl-ONN-azoxy)aniline http://purl.obolibrary.org/obo/CHEBI_17467 3_STAR
CHEBI:17468 biolink:ChemicalSubstance (4-bromophenylsulfanyl)pyruvate A 2-oxo monocarboxylic acid anion that is the conjugate base of (4-bromophenylsulfanyl)pyruvic acid, arising from deprotonation of the carboxy group. KEGG:C04264 phenio.json 3-((4-bromophenyl)sulfanyl)-2-oxopropanoate|3-[(4-bromophenyl)sulfanyl]-2-oxopropanoate|S-(4-Bromophenyl)-mercaptopyruvate|S-(4-bromophenyl)sulfanylpyruvate http://purl.obolibrary.org/obo/CHEBI_17468 3_STAR
CHEBI:174690 biolink:ChemicalSubstance clenbuterol A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group. CAS:37148-27-9|DrugBank:DB01407|Drug_Central:673|KEGG:D07713|LINCS:LSM-5144|PMID:22071161|PMID:22241580|PMID:22341861|PMID:22447758|PMID:22505058|Patent:US3536712|Reaxys:1076467|VSDB:1884 phenio.json (+-)-clenbuterol|1-(4-Amino-3,5-dichloro-phenyl)-2-tert-butylamino-ethanol|1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol|4-amino-3,5-dichloro-alpha-(((1,1-dimethylethyl)amino)methyl)benzenemethanol|4-amino-alpha-((tert-butylamino)methyl)-3,5-dichlorobenzyl alcohol|CLENBUTEROL|clenbuterol|clenbuterolum http://purl.obolibrary.org/obo/CHEBI_174690 3_STAR
CHEBI:17470 biolink:ChemicalSubstance 2-O-caffeoylglucaric acid KEGG:C03062 phenio.json 2-O-Caffeoylglucarate|2-O-[3-(3,4-dihydroxyphenyl)prop-2-enoyl]-D-glucaric acid|2-O-caffeoylglucarate http://purl.obolibrary.org/obo/CHEBI_17470 3_STAR
CHEBI:17473 biolink:ChemicalSubstance 1-alkyl-2-acetyl-3-acyl-sn-glycerol A 1-alkyl-2,3-diacylglycerol in which the acyl group at position 2 is specified as acetyl. KEGG:C04361 phenio.json 1-alkyl-2-acetyl-3-acyl-sn-glycerols|a 1-O-alkyl-2-acetyl-3-acyl-sn-glycerol http://purl.obolibrary.org/obo/CHEBI_17473 3_STAR
CHEBI:174733 biolink:ChemicalSubstance Licochalcone B CAS:58749-23-8|Chemspider:4477423|HMDB:HMDB0037320|LIPID_MAPS_instance:LMPK12120434 phenio.json (E)-3-(3,4-dihydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one http://purl.obolibrary.org/obo/CHEBI_174733 2_STAR
CHEBI:17474 biolink:ChemicalSubstance estrone 3-sulfate A steroid sulfate that is the 3-sulfate of estrone. CAS:481-97-0|Drug_Central:4857|HMDB:HMDB0001425|KEGG:C02538|LINCS:LSM-3126|PMID:15356081|PMID:23717534|Reaxys:2399598 phenio.json 17-oxoestra-1,3,5(10)-trien-3-yl hydrogen sulfate|3-hydroxyestra-1,3,5(10)-trien-17-one hydrogen sulphate|Estrone 3-sulfate|estrone hydrogen sulfate|estrone sulfate|estrone sulphate http://purl.obolibrary.org/obo/CHEBI_17474 3_STAR
CHEBI:17475 biolink:ChemicalSubstance aminomalonic acid An amino dicarboxylic acid that is malonic acid in which one of the methylene hydrogens has been replaced by an amino group. CAS:1068-84-4|DrugBank:DB02289|ECMDB:ECMDB21430|HMDB:HMDB0001147|KEGG:C00872|MetaCyc:AMINOMALONATE|PDBeChem:FGL|PMID:1621954|PMID:20117838|Reaxys:1704564 phenio.json 2-Aminomalonic acid|Aminomalonate|Aminomalonic acid|aminopropanedioic acid http://purl.obolibrary.org/obo/CHEBI_17475 3_STAR
CHEBI:17476 biolink:ChemicalSubstance 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine A glycerophosphoethanolamine compound having an alk-1-enyl substituent at the 1-position and an acyl substituent at the 2-position. KEGG:C04756 phenio.json 1-Alkenyl-2-acylglycerophosphoethanolamine|1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphoethanolamine|1-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine|1-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamines|2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphoethanolamine|Ethanolamineplasmalogen|O-1-Alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine|Phosphatidalethanolamine|Plasmenylethanolamine http://purl.obolibrary.org/obo/CHEBI_17476 3_STAR
CHEBI:17477 biolink:ChemicalSubstance uracil-5-carboxylic acid A pyrimidinemonocarboxylic acid that is uracil carrying a carboxy group at position 5. CAS:23945-44-0|KEGG:C03030|PMID:27146565|PMID:33337857|PMID:33439519|PMID:4260374|PMID:5440840|PMID:5482775|PMID:5574400 phenio.json 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid|2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid|5-carboxyuracil|5-uracilcarboxylic acid|isoorotic acid|uracil-5-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_17477 3_STAR
CHEBI:17478 biolink:ChemicalSubstance aldehyde A compound RC(=O)H, in which a carbonyl group is bonded to one hydrogen atom and to one R group. KEGG:C00071 phenio.json Aldehyd|Aldehyde|RC(=O)H|RCHO|aldehido|aldehidos|aldehyde|aldehydes|aldehydum|an aldehyde http://purl.obolibrary.org/obo/CHEBI_17478 3_STAR
CHEBI:17479 biolink:ChemicalSubstance enol-oxaloacetate A C4-dicarboxylate resulting from the removal of a proton from both carboxylic acid groups of enol-oxaloacetic acid. MetaCyc:ENOL-OXALOACETATE|PMID:1864383|PMID:38287013|Reaxys:3942454 phenio.json (2Z)-2-hydroxybut-2-enedioate|2-Hydroxyethylenedicarboxylate|enol-oxaloacetate|hydroxyfumarate http://purl.obolibrary.org/obo/CHEBI_17479 3_STAR
CHEBI:17482 biolink:ChemicalSubstance L-cystathionine A modified amino acid generated by enzymic means from L-homocysteine and L-serine. CAS:56-88-2|HMDB:HMDB0000099|KEGG:C02291|KNApSAcK:C00007498|MetaCyc:CYSTATHIONINE|PMID:1025897|Reaxys:2331423|Wikipedia:Cystathionine phenio.json (2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}butanoic acid|(R)-S-(2-amino-2-carboxyethyl)-L-Homocysteine|L-(+)-Cystathionine|L-Cystathionine|L-cystathionine|S-(beta-amino-beta-carboxyethyl)homocysteine http://purl.obolibrary.org/obo/CHEBI_17482 3_STAR
CHEBI:17484 biolink:ChemicalSubstance benzyl isothiocyanate Beilstein:386135|CAS:622-78-6|KEGG:C03098|KNApSAcK:C00007675 phenio.json (isothiocyanatomethyl)benzene|Benzyl isothiocyanate|Benzylsenfoel|Isothiocyanic acid, benzyl ester|alpha-isothiocyanatotoluene|benzyl isothiocyanate http://purl.obolibrary.org/obo/CHEBI_17484 3_STAR
CHEBI:17485 biolink:ChemicalSubstance homocystine An organic disulfide obtained by oxidative dimerisation of homocysteine. CAS:462-10-2|HMDB:HMDB0000575|KEGG:C01817|PMID:11592966|PMID:11896744|Reaxys:1728581 phenio.json 4,4'-Dithiobis(2-aminobutyric acid)|4,4'-disulfanediylbis(2-aminobutanoic acid)|4,4'-dithiobis(2-aminobutyric acid)|Homocystine http://purl.obolibrary.org/obo/CHEBI_17485 3_STAR
CHEBI:17486 biolink:ChemicalSubstance (S)-atropine An atropine with a 2S-configuration. CAS:101-31-5|DrugBank:DB00424|Drug_Central:1402|KEGG:C02046|KEGG:D00147|KNApSAcK:C00002293|PDBeChem:OIN|Reaxys:91259 phenio.json (-)-atropine|(-)-hyoscyamine|(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate|(S)-(-)-hyoscyamine|Daturine|Duboisine|L-Hyoscyamine|L-Tropine tropate|[3(S)-endo]-alpha-(hydroxymethyl)benzeneacetic acid 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester|hyoscyamine|l-hyoscyamine|tropan-3alpha-yl (2S)-3-hydroxy-2-phenylpropanoate|tropine, (-)-tropate http://purl.obolibrary.org/obo/CHEBI_17486 3_STAR
CHEBI:17488 biolink:ChemicalSubstance scopoletin A hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. CAS:92-61-5|KEGG:C01752|KNApSAcK:C00002499|LINCS:LSM-6694|PMID:20686865|PMID:21078410|PMID:21163341|PMID:21383663|PMID:21417386|PMID:21544717|PMID:21598418|PMID:21604276|PMID:21605187|PMID:21657075|PMID:21751840|Reaxys:156296 phenio.json 6-Methoxy-7-hydroxycoumarin|6-Methylesculetin|6-O-Methylesculetin|7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one|7-hydroxy-6-methoxy-2H-chromen-2-one|7-hydroxy-6-methoxycoumarin|Scopoletin|scopoletin http://purl.obolibrary.org/obo/CHEBI_17488 3_STAR
CHEBI:17489 biolink:ChemicalSubstance 3',5'-cyclic AMP A 3',5'-cyclic purine nucleotide having having adenine as the nucleobase. CAS:60-92-4|DrugBank:DB02527|HMDB:HMDB0000058|KEGG:C00575|KNApSAcK:C00001497|MetaCyc:CAMP|PDBeChem:CMP|PMID:16295522|PMID:18372334|PMID:22770225|Reaxys:52645|Wikipedia:Cyclic_AMP phenio.json 3',5'-Cyclic AMP|ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE|Adenosine 3',5'-cyclic phosphate|Adenosine 3',5'-phosphate|Cyclic AMP|Cyclic adenylic acid|adenosine 3',5'-(hydrogen phosphate)|adenosine 3',5'-cyclic monophosphate|cAMP http://purl.obolibrary.org/obo/CHEBI_17489 3_STAR
CHEBI:17490 biolink:ChemicalSubstance O-palmitoyl-L-carnitine An O-acyl-L-carnitine in which the acyl group is specified as palmitoyl (hexadecanoyl). CAS:2364-67-2|HMDB:HMDB0000222|KEGG:C02990|LIPID_MAPS_instance:LMFA07070004|MetaCyc:CPD-419|PMID:11211104|PMID:1328655|PMID:2331016|PMID:24057015|PMID:24321516|PMID:2829871|PMID:9048248|Reaxys:4152034 phenio.json (3R)-3-(hexadecanoyloxy)-4-(trimethylazaniumyl)butanoate|(3R)-3-hexadecanoyloxy-4-(trimethylammonio)butanoate|(3R)-3-palmitoyloxy-4-(trimethylammonio)butanoate|Hexadecanoyl-L-carnitine|Hexadecenoyl carnitine|L-Carnitine palmitoyl ester|L-Palmitoylcarnitine|O-hexadecanoyl-(R)-carnitine|O-hexadecanoyl-R-carnitine|Palmitoyl-L-carnitine|Palmitoylcarnitine|hexadecanoylcarnitine http://purl.obolibrary.org/obo/CHEBI_17490 3_STAR
CHEBI:17494 biolink:ChemicalSubstance CDP-4-dehydro-6-deoxy-D-glucose phenio.json cytidine 5'-[3-(6-deoxy-D-xylo-hexopyranosyl-4-ulose) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_17494 3_STAR
CHEBI:17495 biolink:ChemicalSubstance cholesteryl beta-D-glucoside CAS:26671-80-7|KEGG:C03855 phenio.json (3beta)-cholest-5-en-3-yl D-glucopyranoside|Cholesterol glucoside|Cholesteryl glucoside|Cholesteryl-beta-D-glucoside|cholest-5-en-3beta-yl beta-D-glucopyranoside|cholesteryl 3-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_17495 3_STAR
CHEBI:17497 biolink:ChemicalSubstance glycolic acid A 2-hydroxy monocarboxylic acid that is acetic acid where the methyl group has been hydroxylated. CAS:79-14-1|Drug_Central:4645|HMDB:HMDB0000115|KEGG:C00160|KNApSAcK:C00007461|LIPID_MAPS_instance:LMFA01050148|MetaCyc:GLYCOLLATE|PDBeChem:GOA|PMID:14585457|PMID:15662707|PMID:15716481|PMID:15716482|PMID:18498500|PMID:19025792|PMID:21950544|PMID:22044748|PMID:22128110|PMID:22360337|PMID:22421647|Reaxys:1209322|Wikipedia:Glycolic_acid phenio.json 2-Hydroxyacetic acid|2-Hydroxyethanoic acid|GLYCOLIC ACID|Glycolic acid|Glycollic acid|HOCH2COOH|Hydroxyacetic acid|Hydroxyethanoic acid|alpha-Hydroxyacetic acid|alpha-hydroxyacetic acid|hydroxyacetic acid http://purl.obolibrary.org/obo/CHEBI_17497 3_STAR
CHEBI:17499 biolink:ChemicalSubstance hydrogen donor A molecular entity that can undergo oxidation by the loss of hydrogen atom(s). KEGG:C00030 phenio.json AH2|Donor|Hydrogen-donor|Reduced acceptor http://purl.obolibrary.org/obo/CHEBI_17499 3_STAR
CHEBI:17500 biolink:ChemicalSubstance 7alpha-hydroxycholesterol The 7alpha-hydroxy derivative of cholesterol. CAS:566-26-7|Chemspider:96891|FooDB:FDB022655|HMDB:HMDB0001496|KEGG:C03594|LIPID_MAPS_instance:LMST01010013|MetaCyc:CPD-266|PDBeChem:5JK|PMID:10529092|PMID:14571793|PMID:15576852|PMID:16376175|PMID:16455124|PMID:16634125|PMID:17364953|PMID:17386651|PMID:24370436|PMID:27075612|PMID:27268273|PMID:31781930|PMID:7557870|PMID:8558093|PMID:9632680|PMID:9882415|Wikipedia:7%CE%B1-Hydroxycholesterol phenio.json (3beta,7alpha)-cholest-5-ene-3,7-diol|5-cholesten-3beta,7alpha-diol|7-alpha-hydroxycholesterol|7alpha-Hydroxycholesterol|7alpha-hydroxy-cholesterol|7alpha-hydroxycholesterol|Cholest-5-ene-3beta,7alpha-diol|cholest-5-en-3beta,7alpha-diol|cholest-5-ene-3beta,7alpha-diol http://purl.obolibrary.org/obo/CHEBI_17500 3_STAR
CHEBI:17501 biolink:ChemicalSubstance 3,3'-dimethoxystilbene-4,4'-diol Beilstein:2057036|KEGG:C04547 phenio.json 1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene|1,2-bis(4-hydroxy-3-methoxyphenyl)ethylene|2,2'-dimethoxy-4,4'-(ethene-1,2-diyl)diphenol|4,4'-ethene-1,2-diylbis(2-methoxyphenol) http://purl.obolibrary.org/obo/CHEBI_17501 3_STAR
CHEBI:17502 biolink:ChemicalSubstance 2-methylpropanal oxime An aldoxime derived from 2-methylpropanal. Beilstein:1209325|CAS:151-00-8|Gmelin:217530|KEGG:C03219 phenio.json 1-(hydroxyimino)-2-methylpropane|2-Methylpropanal oxime|2-methyl-1-propanal oxime|2-methylpropanal oxime|Isobutyraldehyde oxime|N-hydroxy-2-methylpropanimine|isobutanal oxime|isobutylaldoxime http://purl.obolibrary.org/obo/CHEBI_17502 3_STAR
CHEBI:17503 biolink:ChemicalSubstance N-acyl-D-glutamates(2-) A doubly-charged N-acyl-D-alpha-amino acid anion resulting from removal of protons from both carboxy groups of any N-acyl-D-glutamic acid. KEGG:C06379 phenio.json N-Acyl-D-glutamate|N-acyl-D-glutamate(2-)|an N-acyl-D-glutamate http://purl.obolibrary.org/obo/CHEBI_17503 3_STAR
CHEBI:17504 biolink:ChemicalSubstance 1-O-acyl-sn-glycero-3-phosphocholine(1+) KEGG:C04230 phenio.json 1-Acyl-sn-glycero-3-phosphocholine|1-Acyl-sn-glycerol-3-phosphocholine|1-Acylglycerophosphocholine|1-acyl-2-lyso-phosphatidylcholine|1-acyl-sn-glycero-3-phosphocholines|2-Lysolecithin|2-Lysophosphatidylcholine|LPC|alpha-Acylglycerophosphocholine http://purl.obolibrary.org/obo/CHEBI_17504 3_STAR
CHEBI:17505 biolink:ChemicalSubstance alpha-D-galactosyl-(1->3)-1D-myo-inositol An alpha-D-galactoside having a 1D-myo-inositol substituent at the anomeric position. CAS:3687-64-7|HMDB:HMDB0005826|KEGG:C01235|KEGG:G10488|KNApSAcK:C00001162|MetaCyc:CPD-458|PMID:17439666|PMID:7688662 phenio.json 1-O-alpha-D-Galactosyl-D-myo-inositol|1-alpha-D-Galactosyl-myo-inositol|3-O-alpha-D-Galactosyl-1D-myo-inositol|Galactinol|O-alpha-D-Galactosyl-(1->3)-1D-myo-inositol|alpha-D-galactosyl-(1->3)-1D-myo-inositol http://purl.obolibrary.org/obo/CHEBI_17505 3_STAR
CHEBI:17506 biolink:ChemicalSubstance 2-(alpha-D-galactosyl)-sn-glycerol 3-phosphate KEGG:C04641 phenio.json (2R)-2-(alpha-D-galactopyranosyloxy)-3-hydroxypropyl dihydrogen phosphate|2-(alpha-D-Galactosyl)-sn-glycerol 3-phosphate|2-(alpha-D-galactopyranosyl)-sn-glycerol 3-(dihydrogen phosphate)|2-(alpha-D-galactosyl)-sn-glycerol 3-phosphate http://purl.obolibrary.org/obo/CHEBI_17506 3_STAR
CHEBI:17507 biolink:ChemicalSubstance psychosine sulfate KEGG:C02744 phenio.json (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 6-O-sulfo-beta-D-galactopyranoside|(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl beta-D-galactopyranoside 6-(hydrogen sulfate)|Psychosine sulfate http://purl.obolibrary.org/obo/CHEBI_17507 3_STAR
CHEBI:175077 biolink:ChemicalSubstance Tryptophyl-Asparagine Chemspider:16568398|HMDB:HMDB0029078 phenio.json 4-amino-2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid http://purl.obolibrary.org/obo/CHEBI_175077 2_STAR
CHEBI:17508 biolink:ChemicalSubstance 7,8-dihydroxykynurenic acid A hydroxyquinoline that is kynurenic acid in which the hydrogens at positions 7 and 8 are replaced by hydroxy groups. KEGG:C01111|Reaxys:407716 phenio.json 4,7,8-trihydroxyquinoline-2-carboxylic acid|7,8-Dihydroxykynurenate http://purl.obolibrary.org/obo/CHEBI_17508 3_STAR
CHEBI:17509 biolink:ChemicalSubstance 5'-S-methyl-5'-thioadenosine Adenosine with the hydroxy group at C-5' substituted with a methylthio (methylsulfanyl) group. Beilstein:42420|CAS:2457-80-9|DrugBank:DB02282|HMDB:HMDB0001173|KEGG:C00170|MetaCyc:5-METHYLTHIOADENOSINE|PMID:22735334|Reaxys:42420 phenio.json 5'-Deoxy-5'-(methylthio)adenosine|5'-Methylthioadenosine|5'-deoxy-5'-(methylsulfanyl)adenosine|5-Methylthioadenosine|9-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-9H-purin-6-amine|MTA|Methylthioadenosine|S-Methyl-5'-thioadenosine|S-methyl-5'-thioadenosine|Thiomethyladenosine http://purl.obolibrary.org/obo/CHEBI_17509 3_STAR
CHEBI:17510 biolink:ChemicalSubstance dTDP-D-fucose phenio.json thymidine 5'-[3-(6-deoxy-D-galactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_17510 3_STAR
CHEBI:17511 biolink:ChemicalSubstance 3-O-L-alanyl-1-O-phosphatidylglycerol Phosphatidylglycerol substituted at O-3 by a L-alanyl group. phenio.json 1-O-(3-O-L-alanylphosphatidyl)glycerol http://purl.obolibrary.org/obo/CHEBI_17511 3_STAR
CHEBI:175111 biolink:ChemicalSubstance Berberrubine CAS:15401-69-1|Chemspider:65547 phenio.json 17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-ol;chloride http://purl.obolibrary.org/obo/CHEBI_175111 2_STAR
CHEBI:17512 biolink:ChemicalSubstance methyl 2-O-alpha-L-fucopyranosyl-beta-D-galactoside KEGG:C04698|KEGG:G10523 phenio.json Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside|methyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside|methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside http://purl.obolibrary.org/obo/CHEBI_17512 3_STAR
CHEBI:17514 biolink:ChemicalSubstance cyanide A pseudohalide anion that is the conjugate base of hydrogen cyanide. CAS:57-12-5|Gmelin:89|HMDB:HMDB0002084|KEGG:C00177|MetaCyc:CPD-13584|PDBeChem:CYN|PMID:11386635|PMID:14871577|PMID:17554165|PMID:7839575|Reaxys:1900509|Wikipedia:Cyanide phenio.json CN(-)|CN-|CYANIDE ION|Cyanide|Prussiate|Zyanid|cyanide|nitridocarbonate(1-) http://purl.obolibrary.org/obo/CHEBI_17514 3_STAR
CHEBI:17515 biolink:ChemicalSubstance L-gamma-glutamyl-L-cysteine A molecular entity formed when L-cysteine amino group binds to the gamma-carbonyl of L-glutamic acid. CAS:636-58-8|DrugBank:DB03408|HMDB:HMDB0001049|KEGG:C00669|KNApSAcK:C00007507|MetaCyc:L-GAMMA-GLUTAMYLCYSTEINE|PMID:11409324|Reaxys:1729154|Wikipedia:Gamma-Glutamylcysteine phenio.json 5-L-Glutamyl-L-cysteine|Glu(-Cys)|L-gamma-Glutamylcysteine|L-gamma-glutamyl-L-cysteine|gamma-Glu-Cys|gamma-Glutamylcysteine|gamma-L-Glutamyl-L-cysteine|gammaGluCys http://purl.obolibrary.org/obo/CHEBI_17515 3_STAR
CHEBI:17516 biolink:ChemicalSubstance but-1-ene-1,2,4-tricarboxylic acid KEGG:C04002 phenio.json (1Z)-but-1-ene-1,2,4-tricarboxylic acid|(Z)-1,2,4-But-1-enetricarboxylic acid|But-1-ene-1,2,4-tricarboxylate|Homo-cis-aconitate|cis-Homoaconitate http://purl.obolibrary.org/obo/CHEBI_17516 3_STAR
CHEBI:17517 biolink:ChemicalSubstance phosphatidylglycerol A glycerophosphoglycerol that is glycerol in which the hydrogen of one of the primary hydroxy groups has been replaced by a phosphatidyl group. KEGG:C00344 phenio.json phosphatidylglycerols http://purl.obolibrary.org/obo/CHEBI_17517 3_STAR
CHEBI:17519 biolink:ChemicalSubstance N-methyl-L-alanine A methyl-L-alanine in which one of the the amino hydrogen of L-alanine is replaced by a methyl group. CAS:3913-67-5|KEGG:C02721|MetaCyc:CPD-298|PDBeChem:MAA|PMID:23681735|PMID:4314464|PMID:487287|PMID:6187921|Reaxys:1720922 phenio.json (2S)-2-(methylamino)propanoic acid|(S)-2-methylaminopropanoic acid|N-Methyl-L-alanine|N-Methylalanine|N-methyl-L-alanine http://purl.obolibrary.org/obo/CHEBI_17519 3_STAR
CHEBI:17520 biolink:ChemicalSubstance phenylthioacetohydroximic acid KEGG:C03719|KNApSAcK:C00007672 phenio.json N-hydroxy-2-phenylethanimidothioic acid|Phenylthioacetohydroximate http://purl.obolibrary.org/obo/CHEBI_17520 3_STAR
CHEBI:17521 biolink:ChemicalSubstance (-)-quinic acid The (-)-enantiomer of quinic acid. CAS:77-95-2|HMDB:HMDB0003072|KEGG:C00296|KNApSAcK:C00001201|MetaCyc:QUINATE|PDBeChem:QIC|PMID:15589483|PMID:22770225|Reaxys:2212412|Wikipedia:Quinic_acid phenio.json (-)-Quinic acid|(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid|1L-1(OH),3,4/5-tetrahydroxycyclohexanecarboxylic acid|Chinic acid|D-Quinic acid|Kinic acid|L-Quinic acid|Quinic acid http://purl.obolibrary.org/obo/CHEBI_17521 3_STAR
CHEBI:17522 biolink:ChemicalSubstance alditol A carbohydrate that is an acyclic polyol having the general formula HOCH2[CH(OH)]nCH2OH (formally derivable from an aldose by reduction of the carbonyl group). KEGG:C00717|Wikipedia:Glycerin phenio.json Alditol|Glycitol|Sugar alcohol|alditol|alditols http://purl.obolibrary.org/obo/CHEBI_17522 3_STAR
CHEBI:17524 biolink:ChemicalSubstance 6-alkylaminopurine Any purine bearing an alkylamino substituent at the 6-position. KEGG:C02860 phenio.json 6-alkylaminopurines|N6-Alkylaminopurine|an N(6)-alkylaminopurine http://purl.obolibrary.org/obo/CHEBI_17524 3_STAR
CHEBI:17525 biolink:ChemicalSubstance testolic acid KEGG:C01618 phenio.json 13-hydroxy-3-oxo-13,17-secoandrost-4-en-17-oic acid|Testolate http://purl.obolibrary.org/obo/CHEBI_17525 3_STAR
CHEBI:17526 biolink:ChemicalSubstance 1-phosphatidyl-1D-myo-inositol 4-phosphate A phosphatidylinositol 4-phosphate having 1D-myo-configuration. KEGG:C01277 phenio.json 1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-4'-phosphate)|1-O-(3-sn-phosphatidyl)-1D-myo-inositol 4-(dihydrogen phosphate)|1-Phosphatidyl-1D-myo-inositol 4-phosphate|1-phosphatidyl-1D-myo-inositol 4-monophosphate|Phosphatidylinositol 4-phosphate|PtdIns-4-P|PtdIns4P http://purl.obolibrary.org/obo/CHEBI_17526 3_STAR
CHEBI:17527 biolink:ChemicalSubstance 1,2,3,6-tetrakis-O-galloyl-beta-D-glucose A galloyl-beta-D-glucose compound having four galloyl groups in the 1-, 2-, 3- and 6-positions. Beilstein:3584855|CAS:79886-50-3|KEGG:C04516 phenio.json 1,2,3,6-Tetra-O-galloyl-beta-D-glucose|1,2,3,6-Tetrakis-O-galloyl-beta-D-glucose|1,2,3,6-tetrakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose|1,2,3,6-tetrakis-O-galloyl-beta-D-glucose http://purl.obolibrary.org/obo/CHEBI_17527 3_STAR
CHEBI:17528 biolink:ChemicalSubstance all-trans-hexaprenyl diphosphate KEGG:C01230 phenio.json (2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl trihydrogen diphosphate|all-trans-Hexaprenyl diphosphate|all-trans-hexaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_17528 3_STAR
CHEBI:17529 biolink:ChemicalSubstance kievitone hydrate A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and a 3-hydroxy-3-methylbutyl group at position 8. CAS:62682-11-5|HMDB:HMDB0038111|KEGG:C02549|KNApSAcK:C00020635|MetaCyc:CPD-34|PMID:1366757|Reaxys:1333051 phenio.json 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-2,3-dihydro-4H-chromen-4-one|Kievitone hydrate|kievitone hydrate http://purl.obolibrary.org/obo/CHEBI_17529 3_STAR
CHEBI:17530 biolink:ChemicalSubstance L-arogenic acid Beilstein:4458841|CAS:53078-86-7|KEGG:C00826|KNApSAcK:C00007338 phenio.json 1-[(2S)-2-amino-2-carboxyethyl]-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid|L-Arogenate|L-Arogenic acid|Pretyrosine|alpha-Amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid http://purl.obolibrary.org/obo/CHEBI_17530 3_STAR
CHEBI:17531 biolink:ChemicalSubstance trans-beta-D-glucosyl-2-hydroxycinnamic acid KEGG:C05158 phenio.json (2E)-3-[2-(beta-D-glucopyranosyloxy)phenyl]acrylic acid|(2E)-3-[2-(beta-D-glucopyranosyloxy)phenyl]prop-2-enoic acid|beta-D-Glucosyl-2-coumarate|trans-beta-D-Glucosyl-2-hydroxycinnamate|trans-beta-D-glucosyl-2-hydroxycinnamate http://purl.obolibrary.org/obo/CHEBI_17531 3_STAR
CHEBI:17532 biolink:ChemicalSubstance (S)-6-hydroxynicotine Beilstein:7870799|KEGG:C01056|UM-BBD_compID:c0471 phenio.json (S)-5-(1-methyl-pyrrolidin-2-yl)-1H-pyridin-2-one|(S)-5-(1-methyl-pyrrolidin-2-yl)-pyridin-2-ol|(S)-6-Hydroxynicotine|5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol|l-6-hydroxynicotine http://purl.obolibrary.org/obo/CHEBI_17532 3_STAR
CHEBI:17533 biolink:ChemicalSubstance N-acetyl-L-glutamic acid An N-acyl-L-amino acid that is L-glutamic acid in which one of the amine hydrogens is substituted by an acetyl group. CAS:1188-37-0|DrugBank:DB04075|HMDB:HMDB0001138|KEGG:C00624|PDBeChem:NLG|PMID:115331|PMID:17190852|PMID:17439666|PMID:5924663|PMID:6035272|PMID:9037750|Reaxys:1727473|Wikipedia:N-Acetylglutamic_acid phenio.json (2S)-2-acetamidopentanedioic acid|(S)-2-(acetylamino)pentanedioic acid|Ac-Glu-OH|Acetyl-L-glutamic acid|Acetylglutamic acid|L-N-acetylglutamic acid|N-ACETYL-L-GLUTAMATE|N-Ac-Glu-OH|N-Acetyl-L-glutamic acid|N-Acetylglutamic acid|N-acetyl-L-glutamic acid|acetylglutamic acid http://purl.obolibrary.org/obo/CHEBI_17533 3_STAR
CHEBI:17534 biolink:ChemicalSubstance 6-amino-2-oxohexanoic acid Beilstein:1756646|KEGG:C03239|PDBeChem:7C3 phenio.json 2-Oxo-6-aminocaproate|2-oxo-6-aminocaproate|6-Amino-2-oxohexanoate|6-amino-2-oxohexanoic acid http://purl.obolibrary.org/obo/CHEBI_17534 3_STAR
CHEBI:17535 biolink:ChemicalSubstance L-arabinopyranose The six-membered ring form of L-arabinose. CAS:87-72-9|GlyTouCan:G88980IR|Gmelin:82843|KEGG:C00259|PMID:1177062|PMID:17336832|PMID:19913595|PMID:28785254|Reaxys:1680037 phenio.json L-Arabinopyranose|L-Arabinose|L-arabinopyranose|L-arabinose|WURCS=2.0/1,1,0/[a211h-1x_1-5]/1/ http://purl.obolibrary.org/obo/CHEBI_17535 3_STAR
CHEBI:17536 biolink:ChemicalSubstance allantoate A monocarboxylic acid anion that is the conjugate base of allantoic acid. KEGG:C00499|MetaCyc:ALLANTOATE|PDBeChem:1AL phenio.json 2,2-bis(aminocarbonylamino)ethanoate|allantoate|allantoate ion|bis(carbamoylamino)acetate|bis[(aminocarbonyl)amino]acetate|diureidoacetate http://purl.obolibrary.org/obo/CHEBI_17536 3_STAR
CHEBI:17537 biolink:ChemicalSubstance Tyr-Arg A dipeptide composed of L-tyrosine and L-arginine joined by a peptide linkage. Beilstein:2676962|CAS:70904-56-2|KEGG:C02993 phenio.json Kyotorphin|L-Tyrosyl-L-arginine|L-tyrosyl-L-arginine|N(2)-L-tyrosyl-L-arginine|Tyr-Arg http://purl.obolibrary.org/obo/CHEBI_17537 3_STAR
CHEBI:17539 biolink:ChemicalSubstance 9-cis,11-trans-octadecadienoate An octadeca-9,11-dienoate that is the conjugate base of 9-cis,11-trans-octadecadienoic acid, formed by deprotonation of the carboxylic acid functional group. PMID:16890934 phenio.json (9Z,11E)-octadeca-9,11-dienoate|(9Z,11E)-octadecadienoate http://purl.obolibrary.org/obo/CHEBI_17539 3_STAR
CHEBI:17540 biolink:ChemicalSubstance methyl beta-D-galactoside A beta-D-galactopyranoside having a methyl substituent at the anomeric position. CAS:1824-94-8|KEGG:C03619|PDBeChem:MBG|PMID:12392740|PMID:14499848|PMID:17340011|PMID:18701091|PMID:19913595|PMID:2454629|PMID:2546596|PMID:6465901|PMID:6865949|PMID:7296561|PMID:7407126|PMID:7524207|PMID:773938|PMID:7763824|Reaxys:81569 phenio.json GalbetaOMe|Methyl beta-D-galactopyranoside|Methyl beta-D-galactoside|Methyl beta-galactoside|Methyl galactoside|Methylgalactoside|beta-D-Galactopyranose methyl glycoside|methyl beta-D-galactopyranoside|methyl beta-D-galactoside http://purl.obolibrary.org/obo/CHEBI_17540 3_STAR
CHEBI:17541 biolink:ChemicalSubstance 2-carboxy-D-arabinitol 1-phosphate CAS:106777-19-9|KEGG:C04234|KNApSAcK:C00001158 phenio.json 2-C-[(phosphonooxy)methyl]-D-ribonic acid|2-Carboxy-D-arabinitol 1-phosphate http://purl.obolibrary.org/obo/CHEBI_17541 3_STAR
CHEBI:17543 biolink:ChemicalSubstance 1-phospho-alpha-D-galacturonic acid An uronic acid phosphate that is alpha-D-galacturonic acid carrying a phosphate group at position 1. KEGG:C04037|PMID:14479161|Reaxys:22719055 phenio.json 1-O-phosphono-alpha-D-galactopyranuronic acid|1-Phospho-alpha-D-galacturonate|D-Galacturonate 1-phosphate http://purl.obolibrary.org/obo/CHEBI_17543 3_STAR
CHEBI:17544 biolink:ChemicalSubstance hydrogencarbonate The carbon oxoanion resulting from the removal of a proton from carbonic acid. Beilstein:3903504|CAS:71-52-3|Gmelin:49249|HMDB:HMDB0000595|KEGG:C00288|MetaCyc:HCO3|PDBeChem:BCT|PMID:17215880|PMID:17505962|PMID:18439416|PMID:28732801|PMID:29150416|PMID:29460248|PMID:29466234|PMID:4208463|Wikipedia:Bicarbonate phenio.json Acid carbonate|BICARBONATE ION|Bicarbonate|HCO3(-)|HCO3-|Hydrogencarbonate|[CO2(OH)](-)|hydrogen carbonate|hydrogen(trioxidocarbonate)(1-)|hydrogencarbonate|hydrogencarbonate(1-)|hydrogentrioxocarbonate(1-)|hydrogentrioxocarbonate(IV)|hydroxidodioxidocarbonate(1-) http://purl.obolibrary.org/obo/CHEBI_17544 3_STAR
CHEBI:17545 biolink:ChemicalSubstance (E)-indol-3-ylacetaldehyde oxime An indol-3-ylacetaldehyde oxime in which the oxime moiety has E configuration. Beilstein:4989545|CAS:2776-06-9|FooDB:FDB030141|HMDB:HMDB0303989|KEGG:C02937|KNApSAcK:C00000110|MetaCyc:INDOLE-3-ACETALDOXIME|PMID:27375675|Reaxys:4989545 phenio.json (E)-(indol-3-yl)acetaldehyde oxime|(E)-indol-3-ylacetaldoxime|N-[(1E)-2-(1H-indol-3-yl)ethylidene]hydroxylamine http://purl.obolibrary.org/obo/CHEBI_17545 3_STAR
CHEBI:17546 biolink:ChemicalSubstance (2Z)-5-isopropyl-2-methylhexa-2,5-dienal A hexadienal that is hexa-2,5-dienal substituted by a an isopropyl group at position 5 and a methy group at position 2 (the 2Z-stereoisomer). CAS:112164-19-9|KEGG:C04435|LIPID_MAPS_instance:LMPR0102020001|UM-BBD_compID:c0680 phenio.json (2Z)-2,6-dimethyl-5-methylidenehept-2-enal|(Z)-2-Methyl-5-isopropylhexa-2,5-dienal|(Z)-2-methyl-5-isopropylhexa-2,5-dienal|cis-2-Methyl-5-isopropylhexa-2,5-dienal http://purl.obolibrary.org/obo/CHEBI_17546 3_STAR
CHEBI:17548 biolink:ChemicalSubstance alginic acid A linear copolymer macromolecule composed of homopolymeric blocks of 1->4-linked beta-D-mannuronic acid and alpha-L-guluronic acid residues, covalently linked together in different sequences or blocks. Beilstein:8192143|CAS:9005-32-7|KEGG:C01768|KEGG:D02324|KEGG:G10593|PMID:25449544|Wikipedia:Alginic_acid phenio.json (Alginate)n|(Alginate)n+1|Alginate|Alginic acid|Norgine|alginic acid http://purl.obolibrary.org/obo/CHEBI_17548 3_STAR
CHEBI:17549 biolink:ChemicalSubstance 5-aminolevulinic acid The simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound which accumulates in the skin. Used (in the form of the hydrochloride salt)in combination with blue light illumination for the treatment of minimally to moderately thick actinic keratosis of the face or scalp. CAS:106-60-5|DrugBank:DB00855|Drug_Central:166|HMDB:HMDB0001149|KEGG:C00430|KEGG:D07567|KNApSAcK:C00007378|LINCS:LSM-5677|PMID:11303952|PMID:15756058|PMID:15996585|PMID:18982627|PMID:19378778|PMID:22378066|PMID:22700502|PMID:23242333|PMID:23291627|PMID:23299429|PMID:23307195|PMID:23339045|PMID:23360321|PMID:7890117|Reaxys:1759139|Wikipedia:Aminolevulinic_acid phenio.json 5-ALA|5-Amino-4-oxopentanoate|5-Amino-4-oxovaleric acid|5-Aminolevulinate|5-amino-4-oxopentanoic acid|aminolevulinic acid|dALA|delta-ALA|delta-aminolevulinic acid http://purl.obolibrary.org/obo/CHEBI_17549 3_STAR
CHEBI:17550 biolink:ChemicalSubstance UDP-N-acetyl-D-galactosamine 4-sulfate phenio.json uridine 5'-[3-(2-acetamido-2-deoxy-4-O-sulfo-D-galactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_17550 3_STAR
CHEBI:17551 biolink:ChemicalSubstance ecdysone palmitate KEGG:C02681 phenio.json (22R)-2beta,14,22,25-tetrahydroxy-6-oxo-5beta-cholest-7-en-3beta-yl hexadecanoate|Ecdysone palmitate|ecdysone hexadecanoate http://purl.obolibrary.org/obo/CHEBI_17551 3_STAR
CHEBI:17552 biolink:ChemicalSubstance GDP A purine ribonucleoside 5'-diphosphate resulting from the formal condensation of the hydroxy group at the 5' position of guanosine with pyrophosphoric acid. CAS:146-91-8|DrugBank:DB04315|HMDB:HMDB0001201|KEGG:C00035|KEGG:G10620|PDBeChem:GDP|PMID:18439413|PMID:9271366|Wikipedia:Guanosine_diphosphate phenio.json GDP|Guanosine 5'-diphosphate|Guanosine diphosphate|guanosine 5'-(trihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_17552 3_STAR
CHEBI:17553 biolink:ChemicalSubstance O-phosphoethanolamine The ethanolamine mono-ester of phosphoric acid, and a metabolite of phospholipid metabolism. This phosphomonoester shows strong structural similarity to the inhibitory neurotransmitter GABA, and is decreased in post-mortem Alzheimer's disease brain. CAS:1071-23-4|DrugBank:DB01738|Gmelin:663022|KEGG:C00346|MetaCyc:PHOSPHORYL-ETHANOLAMINE|PDBeChem:OPE|PMID:1112054|PMID:7791524|Reaxys:1758916 phenio.json 2-amino-ethanol dihydrogen phosphate|2-amino-ethanol phosphate|2-aminoethyl dihydrogen phosphate|EAP|Ethanolamine phosphate|O-Phosphoethanolamine|O-Phosphorylethanolamine|O-phosphocolamine|OPE|PE|PEA|PETN|Phosphoethanolamine|colamine phosphate|colamine phosphoric acid|colaminphosphoric acid|ethanolamine O-phosphate|ethanolamine acid phosphate|mono(2-aminoethyl) phosphate|monoaminoethyl phosphate|pEtN|phosphoric acid 2-aminoethyl phenyl ester|phosphoryl-ethanolamine http://purl.obolibrary.org/obo/CHEBI_17553 3_STAR
CHEBI:17555 biolink:ChemicalSubstance 1-alkyl-2-acetyl-sn-glycerol 3-phosphate KEGG:C01264 phenio.json (2R)-1-alkoxy-3-(phosphonooxy)propan-2-yl acetate|1-Alkyl-2-acetyl-sn-glycero-3-phosphate|1-alkyl-2-acetyl-sn-glycerol 3-phosphates http://purl.obolibrary.org/obo/CHEBI_17555 3_STAR
CHEBI:17556 biolink:ChemicalSubstance phaseollidin A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 10. CAS:13401-40-6|CAS:37831-70-2|HMDB:HMDB0033669|KEGG:C05230|KEGG:C10514|KNApSAcK:C00002558|KNApSAcK:C00002559|LIPID_MAPS_instance:LMPK12070011|PMID:8277323|Reaxys:4820124 phenio.json (-)-Phaseollidin|(6aR,11aR)-10-(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol|Phaseollidin|phaseollidin http://purl.obolibrary.org/obo/CHEBI_17556 3_STAR
CHEBI:175566 biolink:ChemicalSubstance desmethylastemizole CAS:73736-50-2|Chemspider:137238|HMDB:HMDB0061013 phenio.json 4-[2-[4-[[1-[(4-luorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]phenol http://purl.obolibrary.org/obo/CHEBI_175566 2_STAR
CHEBI:17558 biolink:ChemicalSubstance quercitrin A quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. CAS:522-12-3|HMDB:HMDB0033751|KEGG:C01750|KNApSAcK:C00005374|LIPID_MAPS_instance:LMPK12112171|MetaCyc:QUERCITRIN|PMID:10963295|PMID:11714358|PMID:11816040|PMID:12008093|PMID:15388977|PMID:15725651|PMID:16806328|PMID:17366733|PMID:19928818|PMID:21834636|PMID:22327179|PMID:22379948|PMID:23138875|PMID:23291772|Reaxys:68135|Wikipedia:Quercitrin phenio.json 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside|3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside|3-((6-Deoxy-alpha-L-mannopyranosyl)-oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one|Quercetin 3-L-rhamnoside|Quercetin 3-O-alpha-L-rhamnopyranoside|Quercetin 3-O-rhamnoside|Quercimelin|Quercitrin|Quercitronic acid|Quercitroside|luteolin 6-deoxy-alpha-L-mannopyranoside|quercetin 3-O-alpha-L-rhamnopyranoside|quercetin-3-L-rhamnoside http://purl.obolibrary.org/obo/CHEBI_17558 3_STAR
CHEBI:17559 biolink:ChemicalSubstance 3alpha(S)-strictosidine CAS:20824-29-7|KEGG:C03470|KNApSAcK:C00029058 phenio.json 3-alpha(S)-Strictosidine|Strictosidine|methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate http://purl.obolibrary.org/obo/CHEBI_17559 3_STAR
CHEBI:17560 biolink:ChemicalSubstance 2,2'-iminodipropanoate Gmelin:406411|KEGG:C03210 phenio.json 2,2'-azanediyldipropanoate http://purl.obolibrary.org/obo/CHEBI_17560 3_STAR
CHEBI:175603 biolink:ChemicalSubstance 2-Phenylaminoadenosine CAS:53296-10-9|Chemspider:5293029 phenio.json (2R,3R,4S,5R)-2-(6-amino-2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol http://purl.obolibrary.org/obo/CHEBI_175603 2_STAR
CHEBI:17561 biolink:ChemicalSubstance L-cysteine An optically active form of cysteine having L-configuration. CAS:52-90-4|DrugBank:DB00151|Drug_Central:769|ECMDB:ECMDB00574|Gmelin:49991|HMDB:HMDB0000574|KEGG:C00097|KEGG:D00026|KNApSAcK:C00001351|MetaCyc:CYS|PDBeChem:CYS|PMID:11732994|PMID:13761469|PMID:22735334|Reaxys:1721408|Wikipedia:Cysteine|YMDB:YMDB00046 phenio.json (2R)-2-amino-3-mercaptopropanoic acid|(2R)-2-amino-3-sulfanylpropanoic acid|(R)-2-amino-3-mercaptopropanoic acid|C|CYSTEINE|Cys|E 920|E-920|E920|FREE CYSTEINE|L-2-Amino-3-mercaptopropionic acid|L-Cystein|L-Cysteine|L-Zystein|L-cysteine http://purl.obolibrary.org/obo/CHEBI_17561 3_STAR
CHEBI:17562 biolink:ChemicalSubstance cytidine A pyrimidine nucleoside in which cytosine is attached to ribofuranose via a beta-N(1)-glycosidic bond. CAS:65-46-3|DrugBank:DB02097|Gmelin:84763|HMDB:HMDB0000089|KEGG:C00475|KEGG:D07769|MetaCyc:CYTIDINE|PDBeChem:CTN|PMID:12591866|PMID:15621516|PMID:19194376|Reaxys:89173|Wikipedia:Cytidine phenio.json 1-beta-D-Ribofuranosylcytosine|1beta-D-ribofuranosylcytosine|4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE|4-amino-1-beta-D-ribofuranosylpyrimidin-2(1H)-one|4-amino-1beta-D-ribofuranosyl-2(1H)-pyrimidinone|Cyd|Cytidin|Cytidine|Cytosine riboside|Zytidin|cytidine|cytosine-1beta-D-Ribofuranoside http://purl.obolibrary.org/obo/CHEBI_17562 3_STAR
CHEBI:17563 biolink:ChemicalSubstance phthalate(2-) A phthalate that is the dianion obtained by the deprotonation of both the carboxy groups of phthalic acid. CAS:3198-29-6|Gmelin:3530|KEGG:C01606|Reaxys:3906509|UM-BBD_compID:c0181 phenio.json 1,2-benzenedicarboxylate|benzene-1,2-dicarboxylate|phthalate http://purl.obolibrary.org/obo/CHEBI_17563 3_STAR
CHEBI:17566 biolink:ChemicalSubstance indole-3-acetonitrile A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 1H-indol-3-yl group. CAS:771-51-7|HMDB:HMDB0006524|KEGG:C02938|KNApSAcK:C00000107|MetaCyc:INDOLEYL-CPD|PMID:11867093|PMID:20649646|PMID:21619597|PMID:2342128|PMID:24837382|Reaxys:125488 phenio.json (Indol-3-yl)acetonitrile|(Indole-3-yl)acetonitrile|(indol-3-yl)acetonitrile|1H-indol-3-ylacetonitrile|3-(cyanomethyl)indole|3-Indoleacetonitrile|3-indolylacetonitrile|Indol-3-ylacetonitrile|Indole-3-acetonitrile http://purl.obolibrary.org/obo/CHEBI_17566 3_STAR
CHEBI:17567 biolink:ChemicalSubstance O-alkylglycerone KEGG:C02446 phenio.json 1-alkyl-glycerones|O-Alkylglycerone|O-alkylglycerone|O-alkylglycerones http://purl.obolibrary.org/obo/CHEBI_17567 3_STAR
CHEBI:17568 biolink:ChemicalSubstance uracil A common and naturally occurring pyrimidine nucleobase in which the pyrimidine ring is substituted with two oxo groups at positions 2 and 4. Found in RNA, it base pairs with adenine and replaces thymine during DNA transcription. CAS:66-22-8|DrugBank:DB03419|Gmelin:2896|HMDB:HMDB0000300|KEGG:C00106|KEGG:D00027|KNApSAcK:C00001513|MetaCyc:URACIL|PDBeChem:URA|PMID:11279060|PMID:12855717|PMID:15274295|PMID:16834123|PMID:17439666|PMID:18533995|PMID:18815805|PMID:19175333|PMID:22020693|PMID:22074393|PMID:22120518|PMID:22171528|PMID:22237209|PMID:22299724|PMID:22356544|PMID:22447672|PMID:22483865|PMID:22567906|PMID:22685418|PMID:3654008|Reaxys:606623|Wikipedia:Uracil phenio.json 2,4(1H,3H)-pyrimidinedione|2,4-Dioxopyrimidine|2,4-Pyrimidinedione|U|URACIL|Ura|Uracil|Urazil|pyrimidine-2,4(1H,3H)-dione|uracil http://purl.obolibrary.org/obo/CHEBI_17568 3_STAR
CHEBI:17573 biolink:ChemicalSubstance glycyrrhetinate CAS:1449-05-4|CAS:471-53-4|KEGG:C02283 phenio.json 3beta-hydroxy-11-oxoolean-12-en-30-oate|Glycyrrhetinate|glycyrrhetinate http://purl.obolibrary.org/obo/CHEBI_17573 3_STAR
CHEBI:17574 biolink:ChemicalSubstance biochanin A A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at position 5 and a methoxy group at position 4'. A phytoestrogen, it has putative benefits in dietary cancer prophylaxis. CAS:491-80-5|HMDB:HMDB0002338|KEGG:C00814|KNApSAcK:C00002510|LIPID_MAPS_instance:LMPK12050229|MetaCyc:BIOCHANIN-A|PDBeChem:QSO|PMID:11348577|PMID:11931850|PMID:15277096|PMID:18060767|PMID:20590565|PMID:23406166|PMID:23649249|PMID:23948065|PMID:24129051|PMID:24201306|PMID:28166217|PMID:8947298|Reaxys:278107|Wikipedia:Biochanin_A phenio.json 4'-methylgenistein|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one|5,7-dihydroxy-3-p-methoxyphenyl-4H-chromen-4-one|5,7-dihydroxy-4'-methoxyisoflavone|Biochanin A|olmelin|pratensol http://purl.obolibrary.org/obo/CHEBI_17574 3_STAR
CHEBI:17575 biolink:ChemicalSubstance S-(5-deoxy-D-ribos-5-yl)-L-homocysteine phenio.json Ribose-5-S-homocysteine|S-(5-deoxy-D-ribofuranos-5-yl)-L-homocysteine http://purl.obolibrary.org/obo/CHEBI_17575 3_STAR
CHEBI:17576 biolink:ChemicalSubstance (3R)-3-hydroxy-L-aspartic acid Beilstein:2046210|KEGG:C03961|MetaCyc:CPD-655|PMID:19791805 phenio.json (2S,3R)-2-amino-3-hydroxybutanedioic acid|(2S,3R)-2-amino-3-hydroxysuccinic acid|(3R)-3-hydroxy-L-aspartic acid|L-erythro-beta-hydroxyaspartic acid|erythro-3-Hydroxy-L-aspartate|erythro-3-Hydroxy-L-aspartic acid|erythro-3-Hydroxy-Ls-aspartic acid|erythro-beta-hydroxy-L-aspartic acid http://purl.obolibrary.org/obo/CHEBI_17576 3_STAR
CHEBI:175763 biolink:ChemicalSubstance 2-trans,6-trans-farnesyl diphosphate(3-) An organophosphate oxoanion that is the trianion obtained by removal of the three protons from the diphosphate group of 2-trans,6-trans-farnesyl diphosphate. phenio.json (2-trans,6-trans)-farnesyl diphosphate(3-)|(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl (phosphonatooxy)phosphonate|(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl diphosphate|(2E,6E)-farnesyl diphosphate|(2E,6E)-farnesyl diphosphate(3-)|(E,E)-farnesyl diphosphate(3-)|farnesyl pyrophosphate(3-)|trans,trans-farnesyl diphosphate(3-) http://purl.obolibrary.org/obo/CHEBI_175763 3_STAR
CHEBI:17578 biolink:ChemicalSubstance toluene The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent. CAS:108-88-3|DrugBank:DB01900|Gmelin:2456|KEGG:C01455|PDBeChem:MBN|PMID:11182169|PMID:11314682|PMID:11846266|PMID:11991009|PMID:12062755|PMID:12213539|PMID:12237258|PMID:12784113|PMID:12876426|PMID:14512097|PMID:14559343|PMID:14605898|PMID:15015825|PMID:15019953|PMID:15119846|PMID:15193425|PMID:15542760|PMID:15567510|PMID:15695158|PMID:15796064|PMID:16316648|PMID:16348226|PMID:16601996|PMID:17145141|PMID:17175136|PMID:17497535|PMID:17725881|PMID:18397809|PMID:18832024|PMID:19261054|PMID:19384711|PMID:19429395|PMID:19635754|PMID:19765629|PMID:19825861|PMID:19928203|PMID:19969016|PMID:20347282|PMID:20837561|PMID:21430649|PMID:21655021|PMID:21731073|PMID:21802510|PMID:21840036|Reaxys:635760|UM-BBD_compID:c0114|Wikipedia:Toluene phenio.json TOLUENE|Toluen|Toluene|Toluol|methylbenzene|phenylmethane|toluene http://purl.obolibrary.org/obo/CHEBI_17578 3_STAR
CHEBI:17579 biolink:ChemicalSubstance beta-carotene A cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A carotenoid. CAS:7235-40-7|COMe:MOL000093|Drug_Central:345|HMDB:HMDB0000561|KEGG:C02094|KEGG:D03101|KNApSAcK:C00000919|LIPID_MAPS_instance:LMPR01070000|LIPID_MAPS_instance:LMPR01070001|MetaCyc:CPD1F-129|PDBeChem:BCR|PMID:11171227|PMID:11182771|PMID:11332447|PMID:11359610|PMID:11382814|PMID:11567548|PMID:11677037|PMID:11714348|PMID:11962062|PMID:12081834|PMID:12891827|PMID:14658721|PMID:14764912|PMID:14976384|PMID:14997360|PMID:15113067|PMID:15333155|PMID:15695449|PMID:15789045|PMID:15909543|PMID:15949680|PMID:15949683|PMID:16036331|PMID:16087476|PMID:16338959|PMID:16563447|PMID:17004738|PMID:17625873|PMID:17708644|PMID:17851775|PMID:18429004|PMID:18766464|PMID:18767554|PMID:18794175|PMID:19480350|PMID:19574250|PMID:19669835|PMID:19703237|PMID:19852884|PMID:19888275|PMID:19896667|PMID:19937581|PMID:20074992|PMID:20515074|PMID:22079732|PMID:22309480|PMID:22428124|PMID:22489215|PMID:22534340|PMID:22575730|Reaxys:1917416|Wikipedia:Beta_Carotene phenio.json 1,1'-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaene-1,18-diyl]bis(2,6,6-trimethylcyclohexene)|BETA-CAROTENE|all-trans-beta-carotene|beta,beta-carotene|beta-Carotene|beta-Karotin http://purl.obolibrary.org/obo/CHEBI_17579 3_STAR
CHEBI:17580 biolink:ChemicalSubstance linalool A monoterpenoid that is octa-1,6-diene substituted by methyl groups at positions 3 and 7 and a hydroxy group at position 3. It has been isolated from plants like Ocimum canum. BPDB:2150|CAS:78-70-6|Gmelin:406448|HMDB:HMDB0036100|KEGG:C03985|KNApSAcK:C00003047|LIPID_MAPS_instance:LMPR0102010004|PMID:18695915|PMID:24570447|PMID:24758511|Reaxys:1362385|VSDB:2150|Wikipedia:Linalool phenio.json 2,6-dimethylocta-2,7-dien-6-ol|3,7-Dimethylocta-1,6-dien-3-ol|3,7-dimethylocta-1,6-dien-3-ol|Linalool|beta-linalool|linalool|linalyl alcohol http://purl.obolibrary.org/obo/CHEBI_17580 3_STAR
CHEBI:17582 biolink:ChemicalSubstance isochorismic acid Beilstein:2943868|CAS:22642-82-6|KEGG:C00885|KNApSAcK:C00000734|KNApSAcK:C00007614 phenio.json (5S,6S)-5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid|Isochorismic acid http://purl.obolibrary.org/obo/CHEBI_17582 3_STAR
CHEBI:17583 biolink:ChemicalSubstance N-(long-chain-fatty-acyl)-L-glutamate A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of any N-(long-chain-fatty-acyl)-L-glutamic acid; major species at pH 7.3. phenio.json an N-(long-chain-fatty-acyl)-L-glutamate http://purl.obolibrary.org/obo/CHEBI_17583 3_STAR
CHEBI:17585 biolink:ChemicalSubstance trans-hexadec-2-enal A hexadecenal containing a double bond at position 2 (the trans-stereoisomer). KEGG:C06123|LIPID_MAPS_instance:LMFA06000089|PMID:20804717|PMID:22444536|PMID:25137547|PMID:26408264|PMID:28588048|PMID:29608264|PMID:34857138 phenio.json (2E)-hexadec-2-enal|(2E)-hexadecenal|(E)-2-hexadecenal|2-trans-hexadecenal http://purl.obolibrary.org/obo/CHEBI_17585 3_STAR
CHEBI:17586 biolink:ChemicalSubstance CoA-glutathione An organic disulfide arising from oxidative coupling of the thiol functions of coenzyme A and glutathione. Beilstein:4902335|CAS:6477-52-7|KEGG:C00920 phenio.json CoA-glutathione|Coassg|Coenzyme A-glutathione mixed disulfide|Glutathione-coa mixed disulfide http://purl.obolibrary.org/obo/CHEBI_17586 3_STAR
CHEBI:17587 biolink:ChemicalSubstance L-gulono-1,4-lactone The furanose form of gulonolactone having L-configuration. CAS:1128-23-0|HMDB:HMDB0003466|KEGG:C01040|PMID:16956367|Reaxys:83002 phenio.json (3S,4R,5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxydihydrofuran-2(3H)-one|L-Gulonic acid gamma-lactone|L-Gulono-1,4-lactone|L-Gulono-gamma-lactone|L-Gulonolactone|L-gulono-1,4-lactone|gamma-Gulonolactone http://purl.obolibrary.org/obo/CHEBI_17587 3_STAR
CHEBI:17588 biolink:ChemicalSubstance L-homocysteine A homocysteine that has L configuration. CAS:6027-13-0|DrugBank:DB04422|HMDB:HMDB0000742|KEGG:C00155|KNApSAcK:C00001365|MetaCyc:HOMO-CYS|PDBeChem:HCS|PMID:11686577|PMID:15131313|PMID:15365276|PMID:16702349|PMID:19383686|Reaxys:1721685 phenio.json (2S)-2-amino-4-sulfanylbutanoic acid|Hcy|L-2-Amino-4-mercaptobutyric acid|L-2-amino-4-mercaptobutyric acid|L-Homocysteine|L-homocysteine http://purl.obolibrary.org/obo/CHEBI_17588 3_STAR
CHEBI:17589 biolink:ChemicalSubstance 3-chloro-cis,cis-muconate(2-) Beilstein:3606608|UM-BBD_compID:c0297 phenio.json (2E,4Z)-3-chlorohexa-2,4-dienedioate|3-chloro-cis,cis-muconate http://purl.obolibrary.org/obo/CHEBI_17589 3_STAR
CHEBI:17590 biolink:ChemicalSubstance octane A straight chain alkane composed of 8 carbon atoms. CAS:111-65-9|DrugBank:DB02440|Gmelin:82412|HMDB:HMDB0001485|KEGG:C01387|LIPID_MAPS_instance:LMFA11000002|MetaCyc:CPD-148|PDBeChem:OCT|PMID:11255151|PMID:24354334|Reaxys:1696875|UM-BBD_compID:c0044|Wikipedia:Octane phenio.json CH3-[CH2]6-CH3|N-OCTANE|Octane|Oktan|n-Octane|n-Oktan|octane http://purl.obolibrary.org/obo/CHEBI_17590 3_STAR
CHEBI:175901 biolink:ChemicalSubstance gemcitabine A 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, particularly non-small cell lung cancer, pancreatic cancer, bladder cancer and breast cancer. Beilstein:5382060|CAS:95058-81-4|DrugBank:DB00441|Drug_Central:1283|KEGG:C07650|KEGG:D02368|LINCS:LSM-5333|PDBeChem:GEO|PMID:11034044|PMID:11061612|PMID:11088063|PMID:11122828|PMID:11132538|PMID:11142482|PMID:11221019|PMID:11356111|PMID:11374818|PMID:11489002|PMID:11504793|PMID:11510027|PMID:11585734|PMID:11595724|PMID:11807603|PMID:11859947|PMID:11901308|PMID:12057041|PMID:12057046|PMID:12057157|PMID:12115355|PMID:12142097|PMID:12520460|PMID:12571808|PMID:12722678|PMID:12722691|PMID:12743987|PMID:12761494|PMID:12798170|PMID:12917815|PMID:12954073|PMID:14606642|PMID:14653877|PMID:14720338|PMID:15131028|PMID:15160243|PMID:15221904|PMID:15282439|PMID:15297392|PMID:15542781|PMID:15637766|PMID:15744590|PMID:16001951|PMID:16041610|PMID:16080557|PMID:16143373|PMID:16149285|PMID:16317298|PMID:16500746|PMID:16555971|PMID:16584929|PMID:16807461|PMID:16807463|PMID:16894289|PMID:16905983|PMID:17101674|PMID:17296311|PMID:17296587|PMID:17347561|PMID:17429628|PMID:17460420|PMID:17602464|PMID:17639396|PMID:17887663|PMID:17939651|PMID:17941128|PMID:17987263|PMID:18035967|PMID:18050344|PMID:18086345|PMID:18166944|PMID:18186604|PMID:18257544|PMID:18348652|PMID:18773046|PMID:18789834|PMID:18819792|PMID:18981552|PMID:19034448|PMID:19177022|PMID:19399788|PMID:19839926|PMID:19879060|PMID:22763439|PMID:28594276|PMID:28608357|PMID:28912244|Patent:EP1939198|Patent:EP2108368|Patent:EP2275135|Patent:GB2136425|Patent:US2009124797|Patent:US2010111852|Patent:US4808614|Reaxys:5382060|Wikipedia:Gemcitabine phenio.json 2',2'-Difluorodeoxycytidine|2'-Deoxy-2',2'-difluorocytidine|2'-deoxy-2',2'-difluorocytidine|4-amino-1-((2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one|gemcitabina|gemcitabine|gemcitabinum http://purl.obolibrary.org/obo/CHEBI_175901 3_STAR
CHEBI:17592 biolink:ChemicalSubstance N(5)-methyl-L-glutamine An N(5)-alkylglutamine where the alkyl group is specified as methyl. DrugBank:DB03473|KEGG:C03153|PDBeChem:MEQ phenio.json (2S)-2-amino-5-(methylamino)-5-oxopentanoic acid|N(5)-methyl-L-glutamine|N(delta)-methylglutamine|N-methylglutamine|N5-METHYLGLUTAMINE|N5-Methyl-L-glutamine|gamma-methylglutamine http://purl.obolibrary.org/obo/CHEBI_17592 3_STAR
CHEBI:17593 biolink:ChemicalSubstance maltooligosaccharide A glucooligosaccharide derived from glucose monomers linked via alpha-D-1,4 bonds as in maltose. The term is commonly applied to the series of linear oligosaccharides composed of two, three, four, five and six such units of glucose. phenio.json (1->4)-alpha-D-glucooligosaccharides|maltooligosaccharides http://purl.obolibrary.org/obo/CHEBI_17593 3_STAR
CHEBI:175930 biolink:ChemicalSubstance Artemetin CAS:479-90-3|Chemspider:4478461|HMDB:HMDB0030095|LIPID_MAPS_instance:LMPK12113017 phenio.json 2-(3,4-dimethoxyphenyl)-5-hydroxy-3,6,7-trimethoxychromen-4-one http://purl.obolibrary.org/obo/CHEBI_175930 2_STAR
CHEBI:17594 biolink:ChemicalSubstance hydroquinone A benzenediol comprising benzene core carrying two hydroxy substituents para to each other. CAS:123-31-9|Drug_Central:3282|Gmelin:2742|HMDB:HMDB0002434|KEGG:C00530|KEGG:C15603|KEGG:D00073|KNApSAcK:C00002656|MetaCyc:HYDROQUINONE|PMID:11170505|PMID:12213471|PMID:1395635|PMID:15618234|PMID:15894107|PMID:1899343|PMID:19148301|PMID:24407054|PMID:24858384|PMID:25586344|PPDB:1503|Reaxys:605970|UM-BBD_compID:c0091|Wikipedia:Hydroquinone phenio.json 1,4-Benzenediol|1,4-Dihydroxybenzene|4-Hydroxyphenol|Benzene-1,4-diol|Eldoquin|Hydroquinone|Quinol|benzene-1,4-diol|hydroquinone|p-Benzenediol|p-Hydroquinone|p-hydroxyphenol http://purl.obolibrary.org/obo/CHEBI_17594 3_STAR
CHEBI:17596 biolink:ChemicalSubstance inosine A purine nucleoside in which hypoxanthine is attached to ribofuranose via a beta-N(9)-glycosidic bond. CAS:58-63-9|Drug_Central:3301|ECMDB:ECMDB00195|Gmelin:489332|HMDB:HMDB0000195|KEGG:C00294|KEGG:D00054|KNApSAcK:C00019692|MetaCyc:INOSINE|PDBeChem:NOS|PMID:22770225|Reaxys:624889|Wikipedia:Inosine|YMDB:YMDB00510 phenio.json (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-3,4-diol|9-(beta-D-ribofuranosyl)-9H-purin-6-ol|9-beta-D-ribofuranosyl-9H-purin-6-ol|9-beta-D-ribofuranosylhypoxanthine|INOSINE|Inosin|Inosine|hypoxanthine D-riboside|hypoxanthosine|i|inosina|inosine|inosinum http://purl.obolibrary.org/obo/CHEBI_17596 3_STAR
CHEBI:17597 biolink:ChemicalSubstance 4-hydroxybenzaldehyde A hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. CAS:123-08-0|DrugBank:DB03560|Gmelin:82654|HMDB:HMDB0011718|KEGG:C00633|KNApSAcK:C00002657|MetaCyc:4-HYDROXYBENZALDEHYDE|PDBeChem:HBA|PMID:21542597|PMID:22770225|PMID:3593236|Reaxys:471352|UM-BBD_compID:c0285|Wikipedia:4-Hydroxybenzaldehyde phenio.json 4-Hydroxybenzaldehyde|4-formylphenol|4-hydroxybenzaldehyde|P-HYDROXYBENZALDEHYDE|p-Hydroxybenzaldehyde|p-formylphenol http://purl.obolibrary.org/obo/CHEBI_17597 3_STAR
CHEBI:17598 biolink:ChemicalSubstance phorbol 12,13-dibutanoate Beilstein:6551234|CAS:37558-16-0|KEGG:C03634 phenio.json (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulene-9,9a-diyl dibutanoate|PDBu|Phorbol 12,13-dibutanoate|Phorbol-12,13-dibutyrate|phorbol 12,13-dibutanoate|phorbol 12,13-dibutyrate http://purl.obolibrary.org/obo/CHEBI_17598 3_STAR
CHEBI:17600 biolink:ChemicalSubstance hexadecanal Beilstein:1772756|CAS:629-80-1|DrugBank:DB03381|Gmelin:722456|KEGG:C00517|KNApSAcK:C00007542|LIPID_MAPS_instance:LMFA06000088 phenio.json 1-hexadecanal|16-Hexadecanal|Hexadecanal|Palmitaldehyde|hexadecanal|n-hexadecanal http://purl.obolibrary.org/obo/CHEBI_17600 3_STAR
CHEBI:17601 biolink:ChemicalSubstance 6,7-dimethyl-8-(1-D-ribityl)lumazine The pteridine that is lumazine substituted with methyl groups at C-6 and -7 and with a 1-D-ribityl group on N-8. Beilstein:47879|CAS:5118-16-1|KEGG:C04332|PDBeChem:DLZ|PMID:23051753 phenio.json 1-deoxy-1-[6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl]-D-ribitol|6,7-Dimethyl-8-(1'-D-ribityl)lumazine|6,7-Dimethyl-8-(1-D-ribityl)lumazine|6,7-Dimethyl-8-ribityllumazine|6,7-dimethyl-8-(1-D-ribityl)lumazine|6,7-dimethyl-8-(D-ribityl)lumazine|6,7-dimethyl-8-D-ribityllumazine|DMDRL|RL-6,7-diMe http://purl.obolibrary.org/obo/CHEBI_17601 3_STAR
CHEBI:17602 biolink:ChemicalSubstance 4-aminophenol An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group. CAS:123-30-8|Gmelin:2926|HMDB:HMDB0001169|KEGG:C02372|MetaCyc:CPD-259|PDBeChem:4NL|PMID:11304127|PMID:1395635|PMID:22770225|PMID:7179289|Reaxys:385836|UM-BBD_compID:c0090|Wikipedia:4-Aminophenol phenio.json 4-AMINOPHENOL|4-Aminobenzenol|4-Aminophenol|4-Hydroxyaniline|4-aminophenol|p-Aminophenol|p-hydroxyaniline http://purl.obolibrary.org/obo/CHEBI_17602 3_STAR
CHEBI:17604 biolink:ChemicalSubstance N(6)-methyl-L-lysine An L-lysine derivative that is L-lysine in which one of the hydrogens attached to N(6) is substituted by a methyl group. CAS:1188-07-4|HMDB:HMDB0002038|KEGG:C02728|PDBeChem:MLZ|PMID:14032673|PMID:1730244|PMID:17636967|PMID:19772323|PMID:20711534|PMID:413481|PMID:426794|PMID:518920|PMID:5222990|PMID:5332039|PMID:5347964|PMID:5356590|PMID:5368259|PMID:5846984|PMID:6770375|PMID:6790681|Reaxys:1931417 phenio.json (2S)-2-amino-6-(methylamino)hexanoic acid|(S)-2-amino-6-methylaminohexanoic acid|Epsilon-N-methyllysine|MeLys|N(6)-Methyllysine|N(6)-methyl-L-lysine|N(epsilon)-methyl-L-lysine|N(zeta)-methyllysine|N-Epsilon-methyllysine|N-methyl-L-lysine|N6-Methyl-L-lysine|epsilon-methyllysine http://purl.obolibrary.org/obo/CHEBI_17604 3_STAR
CHEBI:17605 biolink:ChemicalSubstance 2-formylbenzoic acid An aldehydic acid which consists of benzoic acid substituted by a formyl group at position 2. Metabolite of ampicillin phthalidyl ester. CAS:119-67-5|KEGG:C03057|PMID:12123834|PMID:12604212|PMID:24862007|PMID:28166217|Reaxys:742381|UM-BBD_compID:c0448 phenio.json 2-Carboxybenzaldehyde|2-Formylbenzoic acid|2-formylbenzoic acid|Phthalaldehydic acid|o-Formylbenzoic acid|o-formylbenzoic acid http://purl.obolibrary.org/obo/CHEBI_17605 3_STAR
CHEBI:17606 biolink:ChemicalSubstance diiodine Molecule comprising two covalently bonded iodine atoms with overall zero charge.. Beilstein:3587194|CAS:7553-56-2|Drug_Central:4446|Gmelin:1160|KEGG:C01382|KEGG:D00108|PMID:15206581|PMID:19672279|PMID:20045605|PMID:24504625 phenio.json I2|Iodine|Jod|diiodine|molecular iodine http://purl.obolibrary.org/obo/CHEBI_17606 3_STAR
CHEBI:17607 biolink:ChemicalSubstance 1,5-dihydroriboflavin Beilstein:1232017|KEGG:C01007 phenio.json 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol|Reduced riboflavin|reduced riboflavin http://purl.obolibrary.org/obo/CHEBI_17607 3_STAR
CHEBI:17608 biolink:ChemicalSubstance D-aldohexose Any D-aldose having a chain of six carbon atoms in the molecule. phenio.json D-aldohexoses http://purl.obolibrary.org/obo/CHEBI_17608 3_STAR
CHEBI:17609 biolink:ChemicalSubstance cortisol 21-acetate Beilstein:2066841|CAS:50-03-3|DrugBank:DB00741|Drug_Central:4213|KEGG:C02821|KEGG:D00165|LIPID_MAPS_instance:LMST02030093 phenio.json 11beta,17-dihydroxy-3,20-dioxopregn-4-en-21-yl acetate|21-O-acetylcortisol|Cortell|Cortisol 21-acetate|Hydrocortisone acetate|cortisol 21-acetate|cortisol acetate|hydrocortisone 21-acetate http://purl.obolibrary.org/obo/CHEBI_17609 3_STAR
CHEBI:17610 biolink:ChemicalSubstance 3-nitroacrylic acid An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by a nitro group. KEGG:C02231 phenio.json 3-Nitroacrylate|3-nitroprop-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_17610 3_STAR
CHEBI:17611 biolink:ChemicalSubstance 3-hydroxycyclohexanone KEGG:C03228 phenio.json 3-Hydroxycyclohexanone|3-hydroxycyclohexan-1-one|3-hydroxycyclohexanone http://purl.obolibrary.org/obo/CHEBI_17611 3_STAR
CHEBI:17612 biolink:ChemicalSubstance (3,4-dihydroxyphenyl)acetate A dihydroxy monocarboxylic acid anion that is the conjugate base of (3,4-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group. KEGG:C01161|UM-BBD_compID:c0272 phenio.json (3,4-dihydroxyphenyl)acetate|3,4-dihydroxyphenylacetate|homoprotocatechuate http://purl.obolibrary.org/obo/CHEBI_17612 3_STAR
CHEBI:17613 biolink:ChemicalSubstance all-trans-heptaprenyl diphosphate An all-trans-polyprenyl diphosphate composed from seven isoprenyl units. KEGG:C04216 phenio.json (2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-1-yl trihydrogen diphosphate|all-trans-Heptaprenyl diphosphate|all-trans-heptaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_17613 3_STAR
CHEBI:17614 biolink:ChemicalSubstance 5-methyltetrahydropteroyltri-L-glutamic acid KEGG:C04489 phenio.json 5-Methyltetrahydropteroyltri-L-glutamate|N-{[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid http://purl.obolibrary.org/obo/CHEBI_17614 3_STAR
CHEBI:17615 biolink:ChemicalSubstance 1,2-diacyl-3-beta-D-galactosyl-sn-glycerol A class of galactoglycerolipids that consists of any 1,2-diacyl-sn-glycerol having a beta-D-galactosyl residue attached at position 3. DrugBank:DB04735|KEGG:C03692 phenio.json 1,2-Diacyl-3-beta-D-galactosyl-sn-glycerol|3-(beta-D-Galactosyl)-1,2-diacyl-sn-glycerol|3-beta-D-Galactosyl-1,2-diacylglycerol|D-Galactosyldiacylglycerol|MGDG|Monogalactosyl-diacylglycerol|Monogalactosyldiglyceride|a 1,2-diacyl-3-O-(beta-D-galactosyl)-sn-glycerol http://purl.obolibrary.org/obo/CHEBI_17615 3_STAR
CHEBI:17616 biolink:ChemicalSubstance all-trans-retinyl palmitate An all-trans-retinyl ester obtained by formal condensation of the carboxy group of palmitic (hexadecanoic acid) with the hydroxy group of all-trans-retinol. It is used in cosmetic products to treat various skin disorders such as acne, skin aging, wrinkles, dark spots, and also protect against psoriasis. CAS:79-81-2|Chemspider:4444162|DrugBank:DBSALT000855|Drug_Central:4197|FooDB:FDB030671|HMDB:HMDB0003648|KEGG:C02588|KEGG:D00164|LIPID_MAPS_instance:LMPR01090013|MetaCyc:CHOCOLA_A|PMID:11236082|PMID:16149731|PMID:23290361|PMID:23651513|PMID:23945125|PMID:24657715|PMID:24998947|PMID:26224426|PMID:29025343|PMID:29363259|PMID:29412915|PMID:29571474|PMID:30031321|PMID:30316701|PMID:30551390|PMID:30972178|PMID:31369745|PMID:32353979|PMID:32846153|PMID:33202630|PMID:33290311|PMID:33621371|PMID:33658762|PMID:8157860|PMID:8359391|PMID:9125314|PMID:9380354|Reaxys:1917366|Wikipedia:Retinyl_palmitate phenio.json (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl hexadecanoate|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8,tetraenyl hexadecanoic acid ester|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate|Afaxin|Alphalin|Aquasol A|Arovit|Chocola A|O(15)-hexadecanoylretinol|Optovit-A|all-trans-retinol palmitate|all-trans-retinyl hexadecanoate|all-trans-retinyl palmitate|retinol hexadecanoate|retinol palmitate|retinyl hexadecanoate|retinyl palmitate|trans-retinol palmitate|trans-retinyl palmitate|vitamin A palmitate http://purl.obolibrary.org/obo/CHEBI_17616 3_STAR
CHEBI:17617 biolink:ChemicalSubstance L-fuculose A a deoxyketohexose comprising L-tagatose with the hydroxy group at position 6 replaced by hydrogen. KEGG:C01721|KNApSAcK:C00019650 phenio.json 6-deoxy-L-lyxo-hex-2-ulose|6-deoxy-L-tagatose|L-Fuculose|L-fuculose http://purl.obolibrary.org/obo/CHEBI_17617 3_STAR
CHEBI:17618 biolink:ChemicalSubstance bis-D-fructose 2',1:2,1'-dianhydride Beilstein:29826|CAS:3568-49-8|KEGG:C04333 phenio.json Bis-D-fructose 2',1:2,1'-dianhydride|Di-D-fructose 1,2'-2,1' dianhydride|Di-D-fructose 1,2'; 2,1' dianhydride|Difructose anhydride I|bis-D-fructose 2',1:2,1'-dianhydride http://purl.obolibrary.org/obo/CHEBI_17618 3_STAR
CHEBI:17619 biolink:ChemicalSubstance 4-(3-methylbut-2-enyl)-L-tryptophan KEGG:C04290 phenio.json 4-(3-Methylbut-2-enyl)-L-tryptophan|4-(3-methylbut-2-en-1-yl)-L-tryptophan|4-(3-methylbut-2-enyl)-L-tryptophan http://purl.obolibrary.org/obo/CHEBI_17619 3_STAR
CHEBI:17620 biolink:ChemicalSubstance trans-ferulic acid A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. CAS:537-98-4|HMDB:HMDB0000954|KEGG:C01494|KNApSAcK:C00002743|MetaCyc:FERULIC-ACID|PDBeChem:FER|PMID:11041377|PMID:11982438|PMID:12529986|PMID:15162367|PMID:15309442|PMID:16011737|PMID:16185284|PMID:18582080|PMID:18651237|PMID:18707110|PMID:18795822|PMID:19594750|PMID:8821508|Reaxys:1570363|Wikipedia:Ferulic_Acid phenio.json (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid|(E)-3-(4-Hydroxy-3-methoxyphenyl)-2-propenoic acid|(E)-4'-hydroxy-3'-methoxycinnamic acid|(E)-4-Hydroxy-3-methoxycinnamic acid|(E)-Ferulic acid|3-(4-Hydroxy-3-methoxyphenyl)propenoic acid|3-methoxy-4-hydroxy-trans-cinnamic acid|4-Hydroxy-3-methoxycinnamic acid|4-hydroxy-3-methoxycinnamic acid|Ferulic acid|trans-4-Hydroxy-3-methoxycinnamic acid|trans-Ferulic acid http://purl.obolibrary.org/obo/CHEBI_17620 3_STAR
CHEBI:17621 biolink:ChemicalSubstance FMN A flavin mononucleotide that is riboflavin (vitamin B2) in which the primary hydroxy group has been converted to its dihydrogen phosphate ester. CAS:146-17-8|COMe:MOL000043|DrugBank:DB03247|Drug_Central:2374|Gmelin:477717|HMDB:HMDB0001520|KEGG:C00061|KNApSAcK:C00019686|PDBeChem:FMN|PMID:13973054|PMID:23500531|PMID:23570607|PMID:24643482|PMID:25108762|Patent:US2535385|Patent:US2610179|Patent:US2740775|Patent:US3118876|Reaxys:68086|Wikipedia:Flavin_mononucleotide phenio.json 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol|FLAVIN MONONUCLEOTIDE|FMN|Flavin mononucleotide|Riboflavin-5-phosphate|riboflavin 5'-(dihydrogen phosphate)|riboflavin 5'-monophosphate|riboflavin 5'-phosphate|riboflavin monophosphate|riboflavine dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_17621 3_STAR
CHEBI:17622 biolink:ChemicalSubstance dUMP A pyrimidine 2'-deoxyribonucleoside 5'-monophosphate having uracil as the nucleobase. CAS:964-26-1|DrugBank:DB03800|HMDB:HMDB0001409|KEGG:C00365|KNApSAcK:C00019282|MetaCyc:DUMP|PDBeChem:DU|PDBeChem:UMP|PMID:22770225|PMID:24147825|Reaxys:42143|Wikipedia:Deoxyuridine_monophosphate phenio.json 2'-Deoxyuridine 5'-phosphate|2'-deoxy-5'-uridylic acid|2'-deoxyuridine 5'-monophosphate|Deoxyuridine 5'-phosphate|Deoxyuridine monophosphate|Deoxyuridylic acid|dUMP|deoxyuridylate http://purl.obolibrary.org/obo/CHEBI_17622 3_STAR
CHEBI:17623 biolink:ChemicalSubstance cyclomaltodextrin A cyclic oligosaccharide comprising a ring of D-glucose units linked by alpha-(1->4) glycosidic bonds. KEGG:C00973|KEGG:G10546 phenio.json cyclomaltodextrin http://purl.obolibrary.org/obo/CHEBI_17623 3_STAR
CHEBI:176233 biolink:ChemicalSubstance Tocophersolan Chemspider:64498|HMDB:HMDB0034354|KEGG:D06174 phenio.json 1-O-(2-hydroxyethyl) 4-O-[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl] butanedioate http://purl.obolibrary.org/obo/CHEBI_176233 2_STAR
CHEBI:17624 biolink:ChemicalSubstance dolichyl beta-D-mannosyl phosphate phenio.json Dol-P-Man|Dolichyl beta-D-mannosyl phosphate|dolichol phosphate mannose|dolichol-P-mannose|dolichylphosphate beta-D-mannose http://purl.obolibrary.org/obo/CHEBI_17624 3_STAR
CHEBI:17625 biolink:ChemicalSubstance dUTP A deoxyuridine phosphate having a triphosphate group at the 5'-position. CAS:102814-08-4|Chemspider:58580|DrugBank:DB02333|FooDB:FDB030842|HMDB:HMDB0001191|KEGG:C00460|KNApSAcK:C00019636|PDBeChem:DUT|PMID:10927039|PMID:11250785|PMID:11739702|PMID:11994533|PMID:14746617|PMID:15541077|PMID:16286544|PMID:19212411|PMID:20861355|PMID:231363|PMID:27689337|PMID:28400210|PMID:30332749|PMID:8221659|Patent:US6017702 phenio.json 2'-deoxy-UTP|2'-deoxyuridine 5'-(tetrahydrogen triphosphate)|2'-deoxyuridine 5'-triphosphate|2'-deoxyuridine triphosphate|2'-deoxyuridine-5'-triphosphorate|dUTP|deoxy-UTP|deoxyuridine triphosphate|deoxyuridine-5'-triphosphate http://purl.obolibrary.org/obo/CHEBI_17625 3_STAR
CHEBI:176255 biolink:ChemicalSubstance Ginsenoside Rh4 Chemspider:10229021 phenio.json (2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol http://purl.obolibrary.org/obo/CHEBI_176255 2_STAR
CHEBI:176257 biolink:ChemicalSubstance Neferine CAS:2292-16-2|Chemspider:140375 phenio.json 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-6-methoxy-1-[(4-methoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol http://purl.obolibrary.org/obo/CHEBI_176257 2_STAR
CHEBI:17627 biolink:ChemicalSubstance ferroheme b Heme b in which the iron has oxidation state +2. Beilstein:953574|CAS:14875-96-8|Gmelin:95291|KEGG:C00032|PDB:3KS0|PDBeChem:HEM|PMID:20546754|YMDB:YMDB00041 phenio.json (protoporphyrinato)iron(II)|Fe(ppIX)|Haem|Heme|Protoheme|[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron(II)|[Fe(ppIX)]|ferroprotoheme|ferroprotoporphyrin IX|ferrous protoheme|ferrous protoheme IX|iron(II) protoporphyrin IX|protoferroheme http://purl.obolibrary.org/obo/CHEBI_17627 3_STAR
CHEBI:17628 biolink:ChemicalSubstance 2-aminoacetaldehyde An amino aldehyde that is acetaldehyde in which one of the hydrogens of the methyl group has been replaced by an amino group. CAS:6542-88-7|KEGG:C06735 phenio.json Aminoacetaldehyde|aminoacetaldehyde http://purl.obolibrary.org/obo/CHEBI_17628 3_STAR
CHEBI:17630 biolink:ChemicalSubstance kanamycin A Beilstein:61647|CAS:59-01-8|DrugBank:DB01172|Drug_Central:1519|Gmelin:2044856|KEGG:C01822|LINCS:LSM-5261|PDBeChem:KAN|PMID:22907688|PMID:24336356|PMID:24566637|VSDB:1921|Wikipedia:Kanamycin phenio.json (1S,2R,3R,4S,6R)-4,6-diamino-3-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside|4,6-diamino-2-hydroxy-1,3-cyclohexane 3,6'diamino-3,6'-dideoxydi-alpha-D-glucoside|4,6-diamino-2-hydroxy-1,3-cyclohexylene 3,6'-diamino-3,6'-dideoxydi-D-glucopyranoside|KANAMYCIN A|Kanamycin A|O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->6)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->4))-2-deoxy-D-streptamine http://purl.obolibrary.org/obo/CHEBI_17630 3_STAR
CHEBI:17631 biolink:ChemicalSubstance alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-D-Manp A linear tetrasaccharide composed of four D-mannose units, joined by alpha-linkages. GlyGen:G44688AW|GlyTouCan:G44688AW|KEGG:C04861|KEGG:G00172|PMID:18047546|PMID:8898075|Reaxys:7845374 phenio.json (Man)4|1,3-alpha-D-Mannosyl-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannose|Manalpha1->3Manalpha1->2Manalpha1->2Man|WURCS=2.0/2,4,3/[a1122h-1x_1-5][a1122h-1a_1-5]/1-2-2-2/a2-b1_b2-c1_c3-d1|alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-D-Man|alpha-D-mannopyranosyl-(1->3)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-D-mannopyranose|alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->2)-D-mannose http://purl.obolibrary.org/obo/CHEBI_17631 3_STAR
CHEBI:17632 biolink:ChemicalSubstance nitrate A nitrogen oxoanion formed by loss of a proton from nitric acid. Principal species present at pH 7.3. Beilstein:3587575|CAS:14797-55-8|Gmelin:1574|MetaCyc:NITRATE|PDBeChem:NO3|Wikipedia:Nitrate phenio.json NITRATE ION|NO3|NO3(-)|[NO3](-)|nitrate|nitrate(1-)|trioxidonitrate(1-)|trioxonitrate(1-)|trioxonitrate(V) http://purl.obolibrary.org/obo/CHEBI_17632 3_STAR
CHEBI:17633 biolink:ChemicalSubstance guanosine 3',5'-bis(diphosphate) A guanosine bisphosphate having diphosphate groups at both the 3' and 5'-positions. DrugBank:DB04022|KEGG:C01228|PDBeChem:G4P phenio.json GUANOSINE-5',3'-TETRAPHOSPHATE|Guanosine 3',5'-bis(diphosphate)|Guanosine 3'-diphosphate 5'-diphosphate|Guanosine 5'-diphosphate,3'-diphosphate|guanosine 3',5'-bis(trihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_17633 3_STAR
CHEBI:176334 biolink:ChemicalSubstance GSK2879552 A member of the class of piperidines that is piperidine substituted by (4-carboxyphenyl)methyl and {[(1R,2S)-2-phenylcyclopropyl]amino}methyl groups at positions 1 and 4, respectively. It is a potent and irreversible inhibitor of lysine specific demethylase 1 (LSD1, also known as KDM1A). It was under clinical investigation for the treatment of acute myeloid leukaemia and small cell lung carcinoma. CAS:1401966-69-5|Chemspider:35308350|PMID:26175415|PMID:26710088|PMID:27308632|PMID:28722477|PMID:29972300|PMID:30472603|PMID:30514804|PMID:30713023|PMID:31054890|PMID:31249575|PMID:31260835|PMID:31801559|PMID:32551003|PMID:32850370|PMID:32931269|PMID:33285227|PMID:33708617|PMID:33833800|PMID:34031383|Patent:WO2012135113 phenio.json 4-{[4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]methyl}benzoic acid|GSK 2879552|GSK-2879552 http://purl.obolibrary.org/obo/CHEBI_176334 3_STAR
CHEBI:176335 biolink:ChemicalSubstance SP2509 3-(4-morpholinylsulfonyl)-benzoic acid (2E)-2-[1-(5-chloro-2-hydroxyphenyl)ethylidene]hydrazide CAS:1423715-09-6|PMID:34031383 phenio.json http://purl.obolibrary.org/obo/CHEBI_176335 2_STAR
CHEBI:176338 biolink:ChemicalSubstance 2-N,3-O-bis[(3R)-3-hydroxyacyl]-alpha-D-glucosaminyl 1-phosphate(2-) MetaCyc:Lipid-X phenio.json 2-N-[(3R)-3-hydroxyacyl]-3-O-[(3R)-3-hydroxyacyl]-alpha-D-glucosaminyl 1-phosphate|2-deoxy-3-O-[(3R)-3-hydroxyacyl]-2-{[(3R)-3-hydroxyacyl]amino}-1-O-phosphonato-alpha-D-glucopyranose|a lipid X http://purl.obolibrary.org/obo/CHEBI_176338 2_STAR
CHEBI:17634 biolink:ChemicalSubstance D-glucose A glucose with D-configuration. CAS:50-99-7 phenio.json D(+)-glucose|D-(+)-glucose|D-gluco-hexose|D-glucose|Traubenzucker|dextrose|grape sugar http://purl.obolibrary.org/obo/CHEBI_17634 3_STAR
CHEBI:176343 biolink:ChemicalSubstance 2,3,2',3'-tetrakis[(3R)-3-hydroxyacyl]-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate(2-) MetaCyc:Lipid-A-Disaccharide phenio.json a lipid A disaccharide http://purl.obolibrary.org/obo/CHEBI_176343 2_STAR
CHEBI:176344 biolink:ChemicalSubstance Hydroxycitric acid CAS:6205-14-7|Chemspider:110439|HMDB:HMDB0031159 phenio.json 1,2-dihydroxypropane-1,2,3-tricarboxylic acid http://purl.obolibrary.org/obo/CHEBI_176344 2_STAR
CHEBI:17636 biolink:ChemicalSubstance sphingomyelin d18:1 Any sphingomyelin having sphingosine as the sphingoid component. KEGG:C00550|LIPID_MAPS_instance:LMSP03010000|PMID:3196084 phenio.json N-acyl-4-sphingenyl-1-O-phosphorylcholines|Sphingomyelin|a sphingomyelin|ceramide phosphocholine|sphingomyelins http://purl.obolibrary.org/obo/CHEBI_17636 3_STAR
CHEBI:17637 biolink:ChemicalSubstance 6-methylsalicylic acid A monohydroxybenzoic acid that is salicylic acid in which the hydrogen ortho to the carboxylic acid group is substituted by a methyl group. CAS:567-61-3|CAS:612-20-4|KEGG:C02657|KNApSAcK:C00000486|KNApSAcK:C00002658|LIPID_MAPS_instance:LMPK13010002|MetaCyc:CPD-637|PMID:1225916|PMID:16345795|PMID:20534347|PMID:24699147|PMID:5973021|Reaxys:2208693 phenio.json 2,6-Cresotic acid|2-Hydroxy-6-methylbenzoic acid|2-Hydroxymethylbenzoic acid|2-hydroxy-6-methylbenzoic acid|6-Hydroxy-o-toluic acid|6-Methyl-2-hydroxybenzenecarboxylate|6-Methylsalicylic acid|Methylsalicylic acid http://purl.obolibrary.org/obo/CHEBI_17637 3_STAR
CHEBI:17639 biolink:ChemicalSubstance 3-oxo-5beta-cholanic acid Beilstein:3218542|CAS:1553-56-6|KEGG:C03070|LIPID_MAPS_instance:LMST04010127 phenio.json 3-Oxo-5beta-cholanate|3-ketolithocholic acid|3-oxo-5beta-cholan-24-oic acid|3-oxocholan-24-oic acid http://purl.obolibrary.org/obo/CHEBI_17639 3_STAR
CHEBI:17640 biolink:ChemicalSubstance 3-(indol-3-yl)pyruvate A indol-3-yl carboxylic acid anion that is the conjugate base of 3-(indol-3-yl)pyruvic acid Reaxys:4455545 phenio.json 3-(1H-indol-3-yl)-2-oxopropanoate|indole-3-pyruvate http://purl.obolibrary.org/obo/CHEBI_17640 3_STAR
CHEBI:17642 biolink:ChemicalSubstance pentachlorophenol A chlorophenol that is phenol substituted by 5 chloro groups. CAS:87-86-5|Gmelin:102794|HMDB:HMDB0041974|KEGG:C02575|KNApSAcK:C00007496|LINCS:LSM-37108|MetaCyc:PENTACHLOROPHENOL|PDBeChem:PCI|PMID:17497895|PMID:23636589|PMID:24123209|PPDB:513|Reaxys:1285380|UM-BBD_compID:c0326|Wikipedia:Pentachlorophenol phenio.json 2,3,4,5,6-pentachlorophenol|PCP|PENTACHLOROPHENOL|Pentachlorophenol|pentachlorophenol http://purl.obolibrary.org/obo/CHEBI_17642 3_STAR
CHEBI:176425 biolink:ChemicalSubstance a lipid IVA(4-) Tetraanion of a lipid IVA with unspecified (3R)-3-hydroxyacyl chains. MetaCyc:Lipid-IVA phenio.json a lipid IVA http://purl.obolibrary.org/obo/CHEBI_176425 2_STAR
CHEBI:176429 biolink:ChemicalSubstance a (Kdo)2-lipid IVA(6-) (Kdo)2-lipid IVA deprotonated at both phosphono groups and at the uronic acid carboxy group and with unspecified (3R)-3-hydroxyacyl chains. MetaCyc:Kdo-2-4-Kdo-2-6-Lipid-IVA phenio.json an alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA http://purl.obolibrary.org/obo/CHEBI_176429 2_STAR
CHEBI:17643 biolink:ChemicalSubstance 9-riburonosylhypoxanthine KEGG:C11631 phenio.json 9-(beta-D-ribofuranosyluronic acid)-1,9-dihydro-6H-purin-6-one|9-(beta-D-ribofuranuronosyl)-1,9-dihydro-6H-purin-6-one|9-Riburonosylhypoxanthine http://purl.obolibrary.org/obo/CHEBI_17643 3_STAR
CHEBI:176431 biolink:ChemicalSubstance an alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid A(6-) A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of an alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid A with unspecified (3R)-3-hydroxyacyl chains. MetaCyc:Kdo-2-4-Kdo-2-6-acyl2-Lipid-IVA phenio.json an alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid A http://purl.obolibrary.org/obo/CHEBI_176431 2_STAR
CHEBI:17645 biolink:ChemicalSubstance 4-acetamidobutanoic acid An N-acyl-gamma-aminobutyric acid resulting from the monoacetylation of the nitrogen of GABA. CAS:3025-96-5|HMDB:HMDB0003681|KEGG:C02946|PMID:22770225|Reaxys:1762288 phenio.json 4-(acetylamino)butanoic acid|4-Acetamidobutyric acid|4-acetamidobutanoic acid|N-Acetyl-4-aminobutanoic acid|N-Acetyl-4-aminobutyric acid|N4-Acetylaminobutanoic acid http://purl.obolibrary.org/obo/CHEBI_17645 3_STAR
CHEBI:17647 biolink:ChemicalSubstance 2-dehydro-3-deoxy-L-arabinonic acid KEGG:C00684 phenio.json 2-Dehydro-3-deoxy-L-arabinonate|2-Dehydro-3-deoxy-L-pentonate|2-dehydro-3-deoxy-L-arabinonic acid|2-dehydro-3-deoxy-L-pentonic acid|3-deoxy-L-pent-2-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_17647 3_STAR
CHEBI:17649 biolink:ChemicalSubstance hydroxymalonate(2-) DrugBank:DB03680|Gmelin:325483|PDBeChem:TTN|PMID:38354877 phenio.json TARTRONATE|hydroxymalonate|hydroxypropanedioate http://purl.obolibrary.org/obo/CHEBI_17649 3_STAR
CHEBI:176495 biolink:ChemicalSubstance actin polymerisation inducer Any substance that induces the polymerisation of the protein actin. PMID:33066873 phenio.json actin polymerisation enhancer|actin polymerisation enhancers|actin polymerisation inducers|inducer of actin polymerization|inducers of actin polymerization http://purl.obolibrary.org/obo/CHEBI_176495 3_STAR
CHEBI:176497 biolink:ChemicalSubstance geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. PMID:23372317|PMID:28580190|PMID:30885572|PMID:33144142|PMID:33973253|PMID:34606237|Wikipedia:Geroprotector phenio.json anti-aging agent|anti-aging agents|anti-aging drug|anti-aging drugs|geroprotective agent|geroprotective agents|geroprotectors http://purl.obolibrary.org/obo/CHEBI_176497 3_STAR
CHEBI:17650 biolink:ChemicalSubstance cortisol A 17alpha-hydroxy-C21-steroid that is pregn-4-ene substituted by oxo groups at positions 3 and 20 and hydroxy groups at positions 11, 17 and 21. Cortisol is a corticosteroid hormone or glucocorticoid produced by zona fasciculata of the adrenal cortex, which is a part of the adrenal gland. It is usually referred to as the "stress hormone" as it is involved in response to stress and anxiety, controlled by corticotropin-releasing hormone (CRH). It increases blood pressure and blood sugar, and reduces immune responses. Beilstein:1354819|CAS:50-23-7|DrugBank:DB00741|Drug_Central:1388|KEGG:C00735|KEGG:D00088|LINCS:LSM-5980|LIPID_MAPS_instance:LMST02030001|PDBeChem:HCY|PMID:10438974|PMID:2268561|Patent:US2602769|Wikipedia:Hydrocortisone phenio.json (11beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione|11beta,17,21-trihydroxypregn-4-ene-3,20-dione|11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione|11beta,17alpha,21-trihydroxy-4-pregnene-3,20-dione|11beta-hydrocortisone|17-hydroxycorticosterone|4-pregnen-11beta,17alpha,21-triol-3,20-dione|Cortisol|Hydrocortisone|Kendall's compound F|Reichstein's substance M|cortisol|hidrocortisona|hydrocortisone|hydrocortisonum http://purl.obolibrary.org/obo/CHEBI_17650 3_STAR
CHEBI:176500 biolink:ChemicalSubstance BAY11-7085 A sulfone that is benzene substituted by [(E)-2-cyanoethenyl]sulfonyl and tert-butyl groups at position 1 and 4, respectively. It is an irreversible inhibitor of IkappaB-alpha phosphorylation in cells (IC50 = 10 muM) and prevents the activation of NF-kappaB. CAS:196309-76-9|Chemspider:4510087|LINCS:LSM-43815|PMID:14560113|PMID:15004016|PMID:16129475|PMID:16699956|PMID:16766531|PMID:16896168|PMID:17889719|PMID:22326395|PMID:23290051|PMID:25581261|PMID:26993765|PMID:28394395|PMID:29274359|PMID:30533198|PMID:30978702|PMID:32055188|PMID:32123585|PMID:34025434 phenio.json (2E)-3-(4-tert-butylbenzene-1-sulfonyl)prop-2-enenitrile|(2E)-3-[(4-tert-butylphenyl)sulfonyl]prop-2-enenitrile|(2E)-3-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-2-propenenitrile|(E)-3-(4-t-butylphenylsulfonyl)-2-propenenitrile|(E)-3-(4-tert-butylphenylsulfonyl)-2-propenenitrile|BAY-117085|Bay 11-7083|Bay 11-7085|Bay-11-7085 http://purl.obolibrary.org/obo/CHEBI_176500 3_STAR
CHEBI:176509 biolink:ChemicalSubstance D-buthionine-(S,R)-sulfoximine A 2-amino-4-(S-butylsulfonimidoyl)butanoic acid which has R-configuration. CAS:113158-69-3 phenio.json (2R)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid|(2R)-2-amino-4-(butylsulfonimidoyl)butanoic acid|(R)-2-amino-4-(S-butylsulfonimidoyl)butyric acid|(R)-buthionine sulfoximine|D-BSO|D-buthionine sulfoximine http://purl.obolibrary.org/obo/CHEBI_176509 3_STAR
CHEBI:176510 biolink:ChemicalSubstance 2-amino-4-(S-butylsulfonimidoyl)butanoic acid A non-proteinogenic alpha-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups. phenio.json 2-amino-4-(S-butylsulfonimidoyl)butanoic acid|2-amino-4-(S-butylsulfonimidoyl)butyric acid http://purl.obolibrary.org/obo/CHEBI_176510 3_STAR
CHEBI:176514 biolink:ChemicalSubstance 3,3'-diiodo-L-thyronine zwitterion phenio.json 3,3'-diiodo-L-thyronine http://purl.obolibrary.org/obo/CHEBI_176514 2_STAR
CHEBI:17652 biolink:ChemicalSubstance 3-hydroxy-L-glutamate(2-) A doubly-charged L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of 3-hydroxy-L-glutamic acid. KEGG:C03066 phenio.json (2S)-2-amino-3-hydroxypentanedioate|3-hydroxy-L-glutamate http://purl.obolibrary.org/obo/CHEBI_17652 3_STAR
CHEBI:176527 biolink:ChemicalSubstance (2S)-3-sulfopropanediol(1-) A 3-sulfopropanediol(1-) that has S-configuration. MetaCyc:CPD-12693|PMID:32571930 phenio.json (2S)-2,3-dihydroxypropane-1-sulfonate|(2S)-3-sulfopropanediol|(2S)-3-sulfopropanediol anion|(S)-2,3-dihydroxypropane-1-sulfonate http://purl.obolibrary.org/obo/CHEBI_176527 3_STAR
CHEBI:17654 biolink:ChemicalSubstance electron acceptor A substance to which an electron may be transferred. KEGG:C02177 phenio.json Elektronenakzeptor|Oxidized donor|electron acceptor http://purl.obolibrary.org/obo/CHEBI_17654 3_STAR
CHEBI:176541 biolink:ChemicalSubstance omega-methyl-very-long-chain fatty acid anion A very long-chain fatty acid anion obtained by deprotonation of the carboxy group of any omega-methyl-very-long-chain fatty acid; major species at pH 7.3. phenio.json an omega-methyl-very-long-chain fatty acid http://purl.obolibrary.org/obo/CHEBI_176541 2_STAR
CHEBI:176542 biolink:ChemicalSubstance omega-hydroxy-very-long-chain fatty acid anion An omega-hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any omega-hydroxy-very-long-chain fatty acid; major species at pH 7.3. phenio.json an omega-hydroxy-very-long-chain fatty acid|omega-hydroxy very-long-chain fatty acid anion|omega-hydroxy very-long-chain fatty acid anions|omega-hydroxy-very-long-chain fatty acid anions|omega-hydroxy-very-long-chain fatty acid(1-) http://purl.obolibrary.org/obo/CHEBI_176542 3_STAR
CHEBI:17655 biolink:ChemicalSubstance 4-hydroxy-2-oxopentanoic acid CAS:3318-73-8|KEGG:C03589|UM-BBD_compID:c0101 phenio.json 4-Hydroxy-2-oxopentanoate|4-Hydroxy-2-oxovalerate|4-hydroxy-2-oxopentanoic acid http://purl.obolibrary.org/obo/CHEBI_17655 3_STAR
CHEBI:17656 biolink:ChemicalSubstance (R)-mandelic acid The (R)-enantiomer of mandelic acid. CAS:611-71-2|Gmelin:69018|KEGG:C01983|MetaCyc:CPD-121|PDBeChem:RMN|PMID:11196078|Reaxys:2691094 phenio.json (-)-(R)-mandelic acid|(-)-alpha-hydroxyphenylacetic acid|(-)-mandelic acid|(2R)-2-hydroxy-2-phenylacetic acid|(2R)-hydroxy(phenyl)acetic acid|(R)-2-Hydroxy-2-phenylacetic acid|(R)-MANDELIC ACID|(R)-Mandelic acid|(R)-Mandelsaeure|(R)-alpha-hydroxybenzeneacetic acid|(R)-alpha-hydroxyphenylacetic acid|D(-)-mandelic acid|D-2-phenylglycolic acid|D-mandelic acid http://purl.obolibrary.org/obo/CHEBI_17656 3_STAR
CHEBI:176578 biolink:ChemicalSubstance cobalt-59 atom A stable isotope of cobalt with relative atomic mass 58.93319, 100 atom percent natural abundance and nuclear spin 7/2. PMID:10617436|PMID:10940985|PMID:11421673|PMID:11528329|PMID:12943912|PMID:19150229|PMID:19421527|PMID:25069794|PMID:25169133|PMID:26066447|PMID:26641288|PMID:27355901|PMID:30137661|PMID:31367328|PMID:32478347 phenio.json ((59)Co)cobalt|(59)27Co|(59)Co|Co-59|cobalt, isotope of mass 59|cobalt-(59)Co|cobalt-59 http://purl.obolibrary.org/obo/CHEBI_176578 3_STAR
CHEBI:17658 biolink:ChemicalSubstance tylosin A macrolide antibiotic that is tylonolide having mono- and diglycosyl moieties attached to two of its hydroxy groups. It is found naturally as a fermentation product of Streptomyces fradiae. CAS:1401-69-0|HMDB:HMDB0034108|KEGG:C01457|KEGG:D02490|LIPID_MAPS_instance:LMPK04000004|MetaCyc:TYLOSIN|PDBeChem:TYK|PMID:18836909|PMID:23013044|PMID:23352520|PMID:23397987|PMID:23398744|PMID:23928021|PMID:23985521|PMID:24063615|PMID:24113548|PMID:24201036|PMID:24270892|PMID:24393633|PMID:7867337|Patent:US2004082524|Reaxys:4651020|Wikipedia:Tylosin phenio.json Tylan|Tylocine|Tylosin|Tylosin A|[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyloxy]-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside|tilosina|tylosin|tylosine|tylosinum http://purl.obolibrary.org/obo/CHEBI_17658 3_STAR
CHEBI:17659 biolink:ChemicalSubstance UDP Beilstein:64707|CAS:58-98-0|DrugBank:DB03435|KEGG:C00015|KEGG:G10619|KNApSAcK:C00007313|Wikipedia:Uridine_Diphosphate phenio.json UDP|Uridine 5'-diphosphate|Uridine diphosphate|uridine 5'-(trihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_17659 3_STAR
CHEBI:176593 biolink:ChemicalSubstance 2-oxohexadecanoate A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxohexadecanoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3. phenio.json 2-ketopalmitate|2-oxohexadecanoate|2-oxopalmitate http://purl.obolibrary.org/obo/CHEBI_176593 3_STAR
CHEBI:17660 biolink:ChemicalSubstance N(6)-dimethylallyladenine A 6-isopentenylaminopurine in which has the isopentenyl double bond is located between the 2 and 3 positions of the isopentenyl group. BPDB:1627|CAS:2365-40-4|DrugBank:DB08768|KEGG:C04083|KNApSAcK:C00000094|PDBeChem:ZIP|Reaxys:526804 phenio.json (3-methyl-but-2-enyl)-(7(9)H-purin-6-yl)-amine|6-(3-methyl-2-buten-1-ylamino)purine|6-(gamma,gamma-Dimethylallylamino)purine|N(6)-(Delta2-isopentenyl)adenine|N(6)-dimethylallyladenine|N-(3-methylbut-2-en-1-yl)-7H-purin-6-amine|N-(3-methylbut-2-en-1-yl)-9H-purin-6-amine|N6-(3-Methylbut-2-enyl)adenine|N6-(3-methylbut-2-enyl)adenine|N6-(delta2-Isopentenyl)-adenine|N6-(delta2-isopentenyl)adenine|N6-Dimethylallyladenine|N6-isopentenyladenine|iP|isopentenyl adenine|isopentenyladenine http://purl.obolibrary.org/obo/CHEBI_17660 3_STAR
CHEBI:17661 biolink:ChemicalSubstance GDP-6-deoxy-alpha-D-mannose KEGG:C03117|PDBeChem:GDR phenio.json GDP-6-deoxy-D-mannose|GDP-D-rhamnose|guanosine 5'-[3-(6-deoxy-alpha-D-mannopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_17661 3_STAR
CHEBI:17663 biolink:ChemicalSubstance (R)-3-[(R)-3-hydroxybutanoyloxy]butanoic acid A carboxylic ester arising from the formal condensation of the alcoholic hydroxy group of one molecule of (3R)-3-hydroxybutanoic acid with the the carboxylic acid group of another. It is a sex pheromone in the European spider Linyphia triangularis. KEGG:C04546|PMID:17810206|Reaxys:6387163 phenio.json (3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoic acid http://purl.obolibrary.org/obo/CHEBI_17663 3_STAR
CHEBI:17664 biolink:ChemicalSubstance alkylaminium A primary ammonium ion obtained by protonation of the amino goup of any alkylamine; major species at pH 7.3. MetaCyc:Alkylamines|PMID:9989229 phenio.json alkylamine cation|alkylaminium cation|alkylaminium(1+)|an alkylamine http://purl.obolibrary.org/obo/CHEBI_17664 3_STAR
CHEBI:17665 biolink:ChemicalSubstance alpha-D-glucose 6-phosphate A D-glucopyranose 6-phosphate where alpha-D-glucose is the sugar component. Beilstein:1914852|DrugBank:DB02007|KEGG:C00668|PDBeChem:G6P phenio.json 6-O-phosphono-alpha-D-glucopyranose|ALPHA-D-GLUCOSE-6-PHOSPHATE|alpha-D-Glucose 6-phosphate|alpha-D-glucopyranose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17665 3_STAR
CHEBI:17666 biolink:ChemicalSubstance L-ribulose 5-phosphate Beilstein:6862306|CAS:2922-69-2|CAS:4151-19-3|KEGG:C01101|KNApSAcK:C00019543|PDBeChem:HMS phenio.json 5-O-phosphono-L-erythro-pent-2-ulose|5-O-phosphono-L-ribulose|L-Ribulose 5-phosphate|L-erythro-pent-2-ulose 5-(dihydrogen phosphate)|L-ribulose 5-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17666 3_STAR
CHEBI:17667 biolink:ChemicalSubstance 3-hydroxy-3-methyl-2-oxobutanoic acid KEGG:C04181|LIPID_MAPS_instance:LMFA01020277 phenio.json 2-oxo-3-hydroxyisovaleric acid|3-Hydroxy-3-methyl-2-oxobutanoate|3-Hydroxy-3-methyl-2-oxobutanoic acid|3-hydroxy-3-methyl-2-oxobutanoic acid http://purl.obolibrary.org/obo/CHEBI_17667 3_STAR
CHEBI:17668 biolink:ChemicalSubstance ribonucleoside diphosphate KEGG:C03723 phenio.json Ribonucleoside diphosphate|ribonucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_17668 3_STAR
CHEBI:17670 biolink:ChemicalSubstance 1,2-diacyl-3-O-(alpha-D-glucosyl)-sn-glycerol A class of glucoglycerolipids that consists of any 1,2-diacyl-sn-glycerol having an alpha-D-glucosyl residue attached at position 3. KEGG:C06364 phenio.json 1,2-Diacyl-3-O-(alpha-D-glucopyranosyl)-sn-glycerol|1,2-diacyl-3-(alpha-D-glucopyranosyl)-sn-glycerol|a 1,2-diacyl-3-O-(alpha-D-glucopyranosyl)-sn-glycerol http://purl.obolibrary.org/obo/CHEBI_17670 3_STAR
CHEBI:17671 biolink:ChemicalSubstance 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde KEGG:C04797 phenio.json (2E,4Z,7S)-7-amino-5-formyl-2-hydroxyocta-2,4-dienedioic acid|5-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde http://purl.obolibrary.org/obo/CHEBI_17671 3_STAR
CHEBI:17672 biolink:ChemicalSubstance carbamoyl phosphate CAS:590-55-6|KEGG:C00169|KNApSAcK:C00007513|PDBeChem:CP phenio.json Carbamoyl phosphate|Carbamyl phosphate|PHOSPHORIC ACID MONO(FORMAMIDE)ESTER|aminocarbonyl dihydrogen phosphate|carbamic phosphoric monoanhydride|carbamoyl dihydrogen phosphate|monocarbamoyl phosphate http://purl.obolibrary.org/obo/CHEBI_17672 3_STAR
CHEBI:17675 biolink:ChemicalSubstance Watasenia luciferin KEGG:C02894 phenio.json 4-{8-benzyl-3-oxo-2-[4-(sulfooxy)benzyl]-3,7-dihydroimidazo[1,2-a]pyrazin-6-yl}phenyl hydrogen sulfate|8-(phenylmethyl)-6-(4-sulfooxyphenyl)-2-[(4-sulfooxyphenyl)methyl]imidazo[1,2-a]-pyrazin-3(7H)-one|Watasenia luciferin|watasemiluciferin http://purl.obolibrary.org/obo/CHEBI_17675 3_STAR
CHEBI:17676 biolink:ChemicalSubstance 2-(beta-D-glucopyranosyluronic acid)-D-glucuronic acid KEGG:C04354|KEGG:G00301 phenio.json (1->2)-beta-D-Glucuronosyl-D-glucuronate|(beta-D-glucopyranosyloxyuronic acid)-(1->2)-beta-D-glucopyranuronic acid|1,2-beta-D-Glucuronosyl-D-glucuronate|1,2-beta-D-glucuronosyl-D-glucuronate|2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranuronic acid http://purl.obolibrary.org/obo/CHEBI_17676 3_STAR
CHEBI:17677 biolink:ChemicalSubstance CTP Beilstein:71190|CAS:65-47-4|DrugBank:DB02431|Gmelin:723598|KEGG:C00063|KNApSAcK:C00019639|PDBeChem:CTP phenio.json 5'-CTP|CTP|CYTIDINE-5'-TRIPHOSPHATE|Cytidine 5'-triphosphate|Cytidine triphosphate|H4ctp|cytidine 5'-(tetrahydrogen triphosphate) http://purl.obolibrary.org/obo/CHEBI_17677 3_STAR
CHEBI:17678 biolink:ChemicalSubstance 2'-hydroxyformononetin A member of the class of 4'-methoxyisoflavones that is formononetin with a hydroxy group at the 2'position. AGR:IND93034681|CAS:1890-99-9|HMDB:HMDB0031720|KEGG:C02920|KNApSAcK:C00000257|LIPID_MAPS_instance:LMPK12050081|MetaCyc:2-HYDROXYFORMONONETIN|PMID:1912490|PMID:1915347|PMID:2306102|PMID:9525107|PMID:9790908|Reaxys:1292487 phenio.json 2'-Hydroformononetin|2'-Hydroxyformononetin|7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)-4H-chromen-4-one|Xenognosin B http://purl.obolibrary.org/obo/CHEBI_17678 3_STAR
CHEBI:176780 biolink:ChemicalSubstance dihydroactinidiolide CAS:15356-74-8|Chemspider:25323|HMDB:HMDB0035240 phenio.json 4,4,7a-trimethyl-6,7-dihydro-5H-1-benzouran-2-one|Actinidiolide, dihydro- http://purl.obolibrary.org/obo/CHEBI_176780 2_STAR
CHEBI:176783 biolink:ChemicalSubstance vitamin C Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. PMCID:PMC8088531|PMID:21885436|PMID:33916257|PMID:34064549|Wikipedia:Vitamin_C phenio.json Vitamin C|vitamin C vitamer|vitamin C vitamers|vitamina C|vitamine C|vitaminum C http://purl.obolibrary.org/obo/CHEBI_176783 3_STAR
CHEBI:176784 biolink:ChemicalSubstance setiptiline(1+) A tertiary ammonium ion that is the conjugate acid of setiptiline obtained by protonation of the tertiary amino group. Major microspecies at pH 7.3. phenio.json 2-methyl-2,3,4,9-tetrahydro-1H-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridin-2-ium|setiptiline cation http://purl.obolibrary.org/obo/CHEBI_176784 3_STAR
CHEBI:176787 biolink:ChemicalSubstance dizocilpine(1+) A secondary ammonium ion that is the conjugate acid of dizocilpine obtained by protonation of the secondary amino group. Major microspecies at pH 7.3. phenio.json (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulen-12-ium|dizocilpine cation http://purl.obolibrary.org/obo/CHEBI_176787 3_STAR
CHEBI:176788 biolink:ChemicalSubstance dizocilpine maleate A maleate salt obtained by reaction of dizocilpine with one equivalent of maleic acid. CAS:77086-22-7|CBA:528717|KEGG:D03878|PMID:10188935|PMID:11360666|PMID:12130706|PMID:12373737|PMID:12457939|PMID:12782248|PMID:1442099|PMID:1456051|PMID:16958587|PMID:16959422|PMID:18421852|PMID:22954112|PMID:7539897|PMID:7719723|PMID:7813038|PMID:7867763|PMID:7870315|PMID:7969899|PMID:8743739|PMID:9027866|PMID:9037536|PMID:9135101|PMID:9384406|PMID:9483502|PMID:9730774 phenio.json (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene (2Z)-but-2-enedioate|MK 801|MK-801 http://purl.obolibrary.org/obo/CHEBI_176788 3_STAR
CHEBI:17679 biolink:ChemicalSubstance 5-hydroxybenzimidazolylcob(I)amide Cobamide in which 5-hydroxy-1H-benzimidazole is attached by a glycosyl link from its N-1 to the C-1 of the ribose moiety. KEGG:C04054 phenio.json 5-Hydroxybenzimidazolylcob(I)amide|5-hydroxybenzimidazolylcobamide http://purl.obolibrary.org/obo/CHEBI_17679 3_STAR
CHEBI:17680 biolink:ChemicalSubstance D-glucose 1,6-bisphosphate CAS:10139-18-1|PMID:2534526|PMID:6271121 phenio.json 2,6-di-O-phosphono-D-glucose|D-Glucose 1,6-biphosphate|D-Glucose 1,6-bisphosphate|D-glucose 1,6-bis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17680 3_STAR
CHEBI:176803 biolink:ChemicalSubstance presqualene monophosphate(2-) A double charged organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of presqualene monophosphate. Major species at pH 7.3. PMID:16464866|PMID:23568778 phenio.json presqualene monophosphate dianion|presqualene phosphate|{(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl phosphate http://purl.obolibrary.org/obo/CHEBI_176803 3_STAR
CHEBI:176809 biolink:ChemicalSubstance cis-alpha-bergamotene An alpha-bergamotene that has cis-configuration. It can either be the (1R,5R,6R)-isomer or the (1S,5S,6S)-isomer. AGR:IND20451409|AGR:IND20482665|AGR:IND22016624|AGR:IND605429373|AGR:IND606363892|CAS:18252-46-5|Chemspider:10379953|KNApSAcK:C00029970|PMID:11251117|PMID:11345708|PMID:11504033|PMID:15133153|PMID:15245414|PMID:16367970|PMID:16461381|PMID:17561925|PMID:17850230|PMID:22224298|PMID:22474938 phenio.json alpha-cis-bergamotene|cis-alpha-bergamotene|rel-(1R,5R,6R)-2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene http://purl.obolibrary.org/obo/CHEBI_176809 3_STAR
CHEBI:17681 biolink:ChemicalSubstance pyridine-2,6-diol CAS:626-06-2|KEGG:C03056|UM-BBD_compID:c0473 phenio.json 2,6-Dihydroxypyridine|2,6-dihydroxypyridine|pyridine-2,6-diol http://purl.obolibrary.org/obo/CHEBI_17681 3_STAR
CHEBI:17682 biolink:ChemicalSubstance benzoin A ketone that consists of acetophenone bearing hydroxy and phenyl substituents at the alpha-position. The parent of the class of benzoins. CAS:119-53-9|Drug_Central:4663|HMDB:HMDB0032039|KEGG:C01408|PMID:15828829|PMID:16107154|PMID:17399985|Reaxys:391839|Wikipedia:Benzoin phenio.json 2-Hydroxy-1,2-diphenylethanone|2-Hydroxy-2-phenylacetophenone|2-hydroxy-1,2-diphenylethanone|Benzoin|Benzoylphenylcarbinol|Hydroxy-2-phenyl acetophenone|PhCH(OH)COPh|PhCOCH(OH)Ph|Phenyl-alpha-hydroxybenzyl ketone|Phenylbenzoyl carbinol|alpha-Hydroxy-alpha-phenylacetophenone|alpha-Hydroxybenzyl phenyl ketone|alpha-hydroxy-alpha-phenylacetophenone|benzoin|phenyl-alpha-hydroxybenzyl ketone http://purl.obolibrary.org/obo/CHEBI_17682 3_STAR
CHEBI:176838 biolink:ChemicalSubstance vitamin B2 Any member of a group of vitamers that belong to the chemical structural class called flavins that exhibit biological activity against vitamin B2 deficiency. Symptoms associated with vitamin B2 deficiency include glossitis, seborrhea, angular stomaitis, cheilosis and photophobia. The vitamers include riboflavin and its phosphate derivatives (and includes their salt, ionised and hydrate forms). phenio.json vitamin B-2|vitamin B2|vitamins B2|vitamins B2 vitamer|vitamins B2 vitamers http://purl.obolibrary.org/obo/CHEBI_176838 3_STAR
CHEBI:176839 biolink:ChemicalSubstance vitamin B3 Any member of a group of vitamers that belong to the chemical structural class called pyridines that exhibit biological activity against vitamin B3 deficiency. Vitamin B3 deficiency causes a condition known as pellagra whose symptoms include depression, dermatitis and diarrhea. The vitamers include nicotinic acid and nicotinamide (and their ionized and salt forms). phenio.json vitamin B-3|vitamin B3|vitamin B3 vitamer|vitamin B3 vitamers|vitamins B3 http://purl.obolibrary.org/obo/CHEBI_176839 3_STAR
CHEBI:17684 biolink:ChemicalSubstance N-formyl-L-glutamate(2-) A doubly-charged N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-formyl-L-glutamic acid. PMID:16475788|PMID:240684|PMID:3308850|PMID:4146796|PMID:6414521 phenio.json (2S)-2-(formylamino)pentanedioate|(2S)-2-formamidopentanedioate|N-formyl-L-glutamate http://purl.obolibrary.org/obo/CHEBI_17684 3_STAR
CHEBI:176840 biolink:ChemicalSubstance vitamin B5 Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms. phenio.json vitamin B-5|vitamin B5|vitamin B5 vitamer|vitamin B5 vitamers|vitamins B5 http://purl.obolibrary.org/obo/CHEBI_176840 3_STAR
CHEBI:176841 biolink:ChemicalSubstance vitamin B7 Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. phenio.json vitamin B-7|vitamin B7|vitamin B7 vitamer|vitamin B7 vitamers|vitamins B7 http://purl.obolibrary.org/obo/CHEBI_176841 3_STAR
CHEBI:176842 biolink:ChemicalSubstance vitamin B9 Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin. phenio.json folate vitamer|folate vitamers|vitamin B-9|vitamin B9|vitamin B9 vitamer|vitamin B9 vitamers|vitamins B9 http://purl.obolibrary.org/obo/CHEBI_176842 3_STAR
CHEBI:176843 biolink:ChemicalSubstance vitamin B12 Any member of a group of cobalamin vitamers that exhibit biological activity against vitamin B12 deficiency. Vitamin B12 deficiency is associated with low red blood cell count and anemia. The vitamers are found in foods such as cereals, meat, fish, and poultry. The vitamers include adenosylcobalamin, hydroxocobalamin, cyanocobalamin, aquacobalamin, nitritocobalamin and methylcobabalamin (also includes their ionized, salt and phosphate derivatives). phenio.json vitamin B-12|vitamin B12|vitamin B12 vitamer|vitamin B12 vitamers|vitamins B12 http://purl.obolibrary.org/obo/CHEBI_176843 3_STAR
CHEBI:17685 biolink:ChemicalSubstance 3-hydroxyquinine Beilstein:94386|CAS:78549-61-8|KEGG:C07344 phenio.json (8alpha,9R)-6'-methoxycinchonan-3,9-diol|3-Hydroxyquinine http://purl.obolibrary.org/obo/CHEBI_17685 3_STAR
CHEBI:176869 biolink:ChemicalSubstance aloenin CAS:38412-46-3|Chemspider:142526 phenio.json 6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one http://purl.obolibrary.org/obo/CHEBI_176869 2_STAR
CHEBI:17687 biolink:ChemicalSubstance glycocholic acid A bile acid glycine conjugate having cholic acid as the bile acid component. CAS:475-31-0|DrugBank:DB02691|HMDB:HMDB0000138|KEGG:C01921|KNApSAcK:C00030410|LINCS:LSM-3222|LIPID_MAPS_instance:LMST05030001|MetaCyc:GLYCOCHOLIC_ACID|PDBeChem:GCH|PMID:22770225|Reaxys:2955826|Wikipedia:Glycocholic_acid phenio.json 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oylglycine|3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oylglycine|GLYCOCHOLIC ACID|Glycocholic acid|N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycine|N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine|N-choloylglycine http://purl.obolibrary.org/obo/CHEBI_17687 3_STAR
CHEBI:17688 biolink:ChemicalSubstance (S)-nicotine A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. BPDB:485|Beilstein:3604351|CAS:54-11-5|DrugBank:DB00184|Drug_Central:1920|HMDB:HMDB0001934|KEGG:C00745|KEGG:D03365|KNApSAcK:C00002057|LINCS:LSM-2093|MetaCyc:NICOTINE|PDBeChem:NCT|PMID:11209966|PMID:11322615|PMID:11406005|PMID:11719700|PMID:11768184|PMID:11821649|PMID:11851194|PMID:12575980|PMID:12692774|PMID:12769614|PMID:12850578|PMID:12971663|PMID:13590907|PMID:14674846|PMID:14761239|PMID:14975706|PMID:15019421|PMID:15027713|PMID:15251917|PMID:15276225|PMID:15380834|PMID:15502843|PMID:15527885|PMID:15707677|PMID:15734728|PMID:15826609|PMID:15894687|PMID:15902919|PMID:15960296|PMID:15963341|PMID:16059663|PMID:16212709|PMID:16333621|PMID:16370520|PMID:16496293|PMID:17023324|PMID:17206646|PMID:17292347|PMID:17350101|PMID:17498763|PMID:17504235|PMID:17525204|PMID:17560039|PMID:17683794|PMID:18380035|PMID:18383130|PMID:18490768|PMID:18683238|PMID:18685152|PMID:18805442|PMID:18922921|PMID:19100291|PMID:19100331|PMID:19287496|PMID:19389046|PMID:19448649|PMID:19465085|PMID:19850423|PMID:19954906|PMID:21521420|PMID:21636612|PMID:21822688|PMID:21945235|PMID:21947355|PMID:22030716|PMID:22129149|PMID:22218403|PMID:22265518|PMID:22331007|PMID:22377934|PMID:22459798|PMID:22529223|PMID:22530136|PMID:27951416|PMID:28187919|PMID:28391535|PMID:28574230|PMID:28641297|PMID:28678400|PMID:28683421|PMID:28686840|PMID:28698187|PMID:28700952|PMID:28704277|PMID:28710519|PMID:28711472|PMID:28714396|PMID:28718768|PMID:28718828|PMID:28726253|PMID:28735272|Reaxys:82109|Wikipedia:Nicotine phenio.json (-)-3-(1-Methyl-2-pyrrolidyl)pyridine|(-)-3-(N-Methylpyrrolidino)pyridine|(-)-nicotine|(R)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(S)-(-)-nicotine|(S)-3-(1-methylpyrrolidin-2-yl)pyridine|(S)-3-(N-methylpyrrolidin-2-yl)pyridine|(S)-Nicotine|(S)-nicotine|1-Methyl-2-(3-pyridyl)pyrrolidine|3-(1-Methyl-2-pyrollidinyl)pyridine|3-(1-Methylpyrrolidin-2-yl)pyridine|3-(2-(N-methylpyrrolidinyl))pyridine|3-(N-methylpyrollidino)pyridine|3-[(2S)-1-methylpyrrolidin-2-yl]pyridine|L(-)-nicotine|L-3-(1-Methyl-2-pyrrolidyl)pyridine|L-Nicotine|Nicotine http://purl.obolibrary.org/obo/CHEBI_17688 3_STAR
CHEBI:17689 biolink:ChemicalSubstance sphingosine-1-phosphocholine A phosphosphingolipid consisting of sphingosine having a phosphocholine moiety attached to its primary hydroxyl group. Beilstein:7342520|LIPID_MAPS_instance:LMSP01060001|PMID:14741383 phenio.json (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate|sphing-4-enine-1-phosphocholine|sphingosylphosphocholine betaine|sphingosylphosphorylcholine http://purl.obolibrary.org/obo/CHEBI_17689 3_STAR
CHEBI:176894 biolink:ChemicalSubstance vitamin B6 phosphate anion phenio.json vitamin B-6 phosphate anion|vitamin B-6 phosphate anions|vitamin B6 phosphate anions http://purl.obolibrary.org/obo/CHEBI_176894 3_STAR
CHEBI:176905 biolink:ChemicalSubstance 2'-deoxyuridine 3'-monophosphate(2-) A 2'-deoxyribonucleoside 3'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxyuridine 3'-monophosphate (3'-dUMP); major species at pH 7.3. MetaCyc:CPD-15393 phenio.json 2'-deoxy-3'-O-phosphonatouridine|2'-deoxy-3'-UMP(2-)|2'-deoxy-3'-uridylate|2'-deoxyuridine 3'-monophosphate dianion|3'-dUMP dianion|3'-dUMP(2-) http://purl.obolibrary.org/obo/CHEBI_176905 3_STAR
CHEBI:17691 biolink:ChemicalSubstance N-feruloylglycine KEGG:C02564 phenio.json N-Feruloylglycine|N-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]glycine|{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino}acetic acid http://purl.obolibrary.org/obo/CHEBI_17691 3_STAR
CHEBI:176910 biolink:ChemicalSubstance fatty acyl-L-carnitine Any O-acylcarnitine in which the carnitine component has L-configuration and the acyl group is a fatty acid. phenio.json O-fatty acyl-L-carnitine|a fatty acyl-L-carnitine http://purl.obolibrary.org/obo/CHEBI_176910 2_STAR
CHEBI:176911 biolink:ChemicalSubstance fatty acylcarnitine Any O-acylcarnitine in which the acyl group is a fatty acid and the carnitine component has configuration undefined. phenio.json http://purl.obolibrary.org/obo/CHEBI_176911 2_STAR
CHEBI:17692 biolink:ChemicalSubstance cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid CAS:130073-64-2|KEGG:C04783|UM-BBD_compID:c0182 phenio.json Phthalate-4,5-cis-dihydrodiol|cis-4,5-Dihydroxycyclohexa-1(6),2-diene-1,2-dicarboxylate|rel-(4R,5S)-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid http://purl.obolibrary.org/obo/CHEBI_17692 3_STAR
CHEBI:17693 biolink:ChemicalSubstance 4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid KEGG:C04447 phenio.json 3-Carboxy-4-methoxy-N-methyl-2-pyridone|3-carboxy-4-methoxy-N-methyl-2-pyridone|4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_17693 3_STAR
CHEBI:17694 biolink:ChemicalSubstance dihydrolipoamide Beilstein:1763332|CAS:3884-47-7|Gmelin:675797|KEGG:C00579 phenio.json 6,8-dimercaptooctanamide|6,8-disulfanyloctanamide|Dihydrolipoamide|Dihydrothioctamide|dihydrolipoamide http://purl.obolibrary.org/obo/CHEBI_17694 3_STAR
CHEBI:17695 biolink:ChemicalSubstance casbene A diterpene comprising bicyclo[12.1.0]pentadeca-2,6,10-triene having three methyl substituents located at the 3-, 7- and 11-positions as well as gem-dimethyl groups at the 15-position. KEGG:C01414|KNApSAcK:C00000864|LIPID_MAPS_instance:LMPR0104290001|PMID:16660566|PMID:16662367|PMID:16664817|Reaxys:5269179 phenio.json (2E,6E,10E)-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-triene|Casbene|casbene http://purl.obolibrary.org/obo/CHEBI_17695 3_STAR
CHEBI:176954 biolink:ChemicalSubstance 6-O-Methyldeacetylisoipecoside KEGG:C21566 phenio.json methyl (2S,3R,4S)-3-ethenyl-4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate http://purl.obolibrary.org/obo/CHEBI_176954 2_STAR
CHEBI:17696 biolink:ChemicalSubstance isocyanuric acid The keto tautomer of cyanuric acid. CAS:108-80-5|Gmelin:101413|MetaCyc:CYANURIC-ACID|PMID:15909931|Patent:CN101830859|Reaxys:126982 phenio.json 1,3,5-triazinane-2,4,6-trione|1,3,5-triazine-2,4,6(1H,3H,5H)-trione|Isocyanursaeure|Isozyanursaeure|isocyanuric acid|s-triazine-2,4,6-trione http://purl.obolibrary.org/obo/CHEBI_17696 3_STAR
CHEBI:176960 biolink:ChemicalSubstance salicylic acyl beta-D-glucuronide (1-) metabolite of salicylate HMDB:HMDB0010314|PMID:3705620 phenio.json http://purl.obolibrary.org/obo/CHEBI_176960 2_STAR
CHEBI:176962 biolink:ChemicalSubstance presqualene alcohol CAS:31908-49-3|PMID:16084728|PMID:4399596|PMID:5550251|PMID:5550252 phenio.json presqualene alcohol|{(1S,2S,3S)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methanol http://purl.obolibrary.org/obo/CHEBI_176962 2_STAR
CHEBI:17697 biolink:ChemicalSubstance N-acetylserotonin An N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid. CAS:1210-83-9|DrugBank:DB04275|HMDB:HMDB0001238|KEGG:C00978|LINCS:LSM-20977|MetaCyc:N-ACETYL-SEROTONIN|PDBeChem:ASE|PMID:22585341|PMID:22770225|PMID:23994834|PMID:24553937|PMID:25386956|PMID:25787187|PMID:26079042|PMID:26378484|PMID:27562847|Reaxys:479159|Wikipedia:N-acetyl-serotonin phenio.json N-(2-(5-Hydroxy-1H-indol-3-yl)ethyl)acetamide|N-Acetyl-5-hydroxytryptamine|N-Acetylserotonin|N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide|N-acetylserotonin http://purl.obolibrary.org/obo/CHEBI_17697 3_STAR
CHEBI:176976 biolink:ChemicalSubstance 1-salicylate O-glucuronide(1-) metabolite of salicylate PMID:3705620 phenio.json http://purl.obolibrary.org/obo/CHEBI_176976 2_STAR
CHEBI:17698 biolink:ChemicalSubstance chloramphenicol An organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions. Beilstein:2225532|CAS:56-75-7|Chemspider:5744|DrugBank:DB00446|Drug_Central:589|HMDB:HMDB0014589|KEGG:C00918|KEGG:D00104|LINCS:LSM-5256|MetaCyc:CHLORAMPHENICOL|PDBeChem:CLM|PMID:11468347|PMID:12217690|PMID:16659995|PMID:16897441|PMID:17217404|PMID:17692887|PMID:17963326|PMID:18559535|PMID:18657290|PMID:18794387|PMID:23142491|PMID:23317719|PMID:23395526|PMID:23494278|PMID:23512826|PMID:23698443|PMID:657786|PMID:6653106|PMID:7040026|Patent:GB795131|Patent:GB796901|Patent:US2483871|Patent:US2483884|Patent:US2483892|Patent:US2839577|Pesticides:chloramphenicol|VSDB:1835|Wikipedia:Chloramphenicol phenio.json (-)-chloramphenicol|2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide|Amphicol|CHLORAMPHENICOL|Chloramex|Chloramphenicol|Chlorocid|Chlorocol|Chloromycetin|D-(-)-2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenylethyl)acetamide|D-(-)-threo-1-p-nitrophenyl-2-dichloroacetylamino-1,3-propanediol|Econochlor|Fenicol|Globenicol|Halomycetin|Oleomycetin|Sificetina|chloramphenicol|chloramphenicolum|chlornitromycin|cloramfenicol|laevomycetinum|levomicetina|levomycetin http://purl.obolibrary.org/obo/CHEBI_17698 3_STAR
CHEBI:17699 biolink:ChemicalSubstance 16-hydroxytabersonine KEGG:C11643|KNApSAcK:C00024480 phenio.json 16-Hydroxytabersonine|methyl 16-hydroxy-2,3,6,7-tetradehydro-5alpha,12beta,19alpha-aspidospermidine-3-carboxylate http://purl.obolibrary.org/obo/CHEBI_17699 3_STAR
CHEBI:17700 biolink:ChemicalSubstance undecan-2-one A dialkyl ketone with methyl and nonyl as the two alkyl groups. CAS:112-12-9|DrugBank:DB08688|HMDB:HMDB0033713|KEGG:C01875|KNApSAcK:C00030758|LIPID_MAPS_instance:LMFA12000002|MetaCyc:2-UNDECANONE|PDBeChem:UOC|PMID:17453350|PMID:20931852|PMID:21366058|PMID:21738794|PMID:23292923|PPDB:1397|Reaxys:1749573|Wikipedia:2-Undecanone phenio.json 2-Hendecanone|2-Undecanone|2-hendecanone|2-undecanone|Methyl nonyl ketone|Undecan-2-one|rue ketone|undecan-2-one http://purl.obolibrary.org/obo/CHEBI_17700 3_STAR
CHEBI:17701 biolink:ChemicalSubstance benzenediol CAS:12385-08-9|KEGG:C01785 phenio.json Benzenediol|benzenediol|dihydroxybenzene http://purl.obolibrary.org/obo/CHEBI_17701 3_STAR
CHEBI:17702 biolink:ChemicalSubstance D-apiitol Beilstein:4242143|CAS:10592-17-3|KEGG:C01569 phenio.json (3S)-2-(hydroxymethyl)butane-1,2,3,4-tetrol|(S)-2-(hydroxymethyl)-1,2,3,4-butanetetrol|2-(hydroxymethyl)erythritol|3-(Hydroxymethyl)erythritol|D-Apiitol|D-apiitol http://purl.obolibrary.org/obo/CHEBI_17702 3_STAR
CHEBI:177023 biolink:ChemicalSubstance somatostatin receptor agonist An agonist that binds to and activates somatostatin receptors. Wikipedia:Somatostatin_receptor phenio.json SRIF agonist|SRIF agonists|SS-R agonist|SS-R agonists|SSR agonist|SSR agonists|SSTR agonist|SSTR agonists|somatostatin receptor agonists http://purl.obolibrary.org/obo/CHEBI_177023 3_STAR
CHEBI:17703 biolink:ChemicalSubstance 26-hydroxycholesterol An oxysterol that is cholesterol substituted at position 26 by a hydroxy group. Beilstein:4708620|CAS:13095-61-9|KEGG:C15610|LIPID_MAPS_instance:LMST01010057|PMID:11504730|PMID:14614521|PMID:17872378|PMID:17873880|PMID:18503570|PMID:19014385|PMID:19761868|PMID:34569656|PMID:35379924|PMID:35453148|PMID:37380087|PMID:38036881|PMID:38414393|PMID:38538623|PMID:38574442|PMID:38650656|PMID:38732535 phenio.json 26-Hydroxycholesterol|26-hydroxycholesterol|27-Hydroxycholesterol|Cholest-5-ene-3beta,26-diol|Cholest-5-ene-3beta,27-diol|cholest-5-ene-3beta,26-diol http://purl.obolibrary.org/obo/CHEBI_17703 3_STAR
CHEBI:17704 biolink:ChemicalSubstance aspulvinone E A 4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one in which the double bond adopts a Z-configuration. It is a marine metabolite isolated from the fungus Aspergillus terreus and exhibits antiviral activity. CAS:49637-60-7|KEGG:C02006|PMID:23411074 phenio.json (5Z)-4-hydroxy-3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]furan-2(5H)-one|(5Z)-4-hydroxy-5-(4-hydroxybenzylidene)-3-(4-hydroxyphenyl)furan-2(5H)-one|Aspulvinone E http://purl.obolibrary.org/obo/CHEBI_17704 3_STAR
CHEBI:17705 biolink:ChemicalSubstance N(2)-succinyl-L-arginine An N-acyl-L-arginine resulting from the formal condensation of the alpha-amino group of L-arginine with one of the carboxy groups of succinic acid KEGG:C03296|MetaCyc:CPD-421|PDBeChem:SUG|Reaxys:6977334 phenio.json (2S)-2-(3-Carboxypropanoylamino)-5-(diaminomethylideneamino)pentanoic acid|(2S)-5-carbamimidamido-2-[(3-carboxypropanoyl)amino]pentanoic acid|N(2)-(3-carboxypropanoyl)-L-arginine|N(alpha)-succinyl-L-arginine|N2-Succinyl-L-arginine|succinyl-arginine|succinylarginine http://purl.obolibrary.org/obo/CHEBI_17705 3_STAR
CHEBI:17706 biolink:ChemicalSubstance Renilla luciferyl sulfate KEGG:C02555 phenio.json 2,8-dibenzyl-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl hydrogen sulfate|Luciferyl sulfate http://purl.obolibrary.org/obo/CHEBI_17706 3_STAR
CHEBI:17707 biolink:ChemicalSubstance glucuronoxylan D-glucuronate phenio.json http://purl.obolibrary.org/obo/CHEBI_17707 1_STAR
CHEBI:17708 biolink:ChemicalSubstance 1,6-dihydroxycyclohexa-2,4-dienecarboxylate CAS:60463-06-1|KEGG:C04634 phenio.json 1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate|1,6-Dihydroxycyclohexa-2,4-diene-1-carboxylate|1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate http://purl.obolibrary.org/obo/CHEBI_17708 3_STAR
CHEBI:17709 biolink:ChemicalSubstance 5'-adenylyl sulfate An adenosine 5'-phosphate having a sulfo group attached to one the phosphate OH groups. CAS:485-84-7|DrugBank:DB03708|KEGG:C00224|KNApSAcK:C00007445|PDBeChem:ADX phenio.json 5'-Adenylyl sulfate|5'-adenylyl hydrogen sulfate|ADENOSINE-5'-PHOSPHOSULFATE|APS|Adenosine 5'-phosphosulfate|Adenylylsulfate|adenosine phosphosulfate http://purl.obolibrary.org/obo/CHEBI_17709 3_STAR
CHEBI:17710 biolink:ChemicalSubstance (R)-mevalonic acid The (R)-enantiomer of mevalonic acid. CAS:17817-88-8|DrugBank:DB03518|KEGG:C00418|KNApSAcK:C00001195|LIPID_MAPS_instance:LMFA01050352|Reaxys:1722593|Wikipedia:Mevalonic_acid phenio.json (-)-mevalonic acid|(3R)-3,5-dihydroxy-3-methylpentanoic acid|(3R)-3,5-dihydroxy-3-methylvaleric acid|(3R)-mevalonic acid|(R)-(-)-mevalonic acid|(R)-3,5-dihydroxy-3-methylpentanoic acid|(R)-3,5-dihydroxy-3-methylvaleric acid|D-mevalonic acid|R-MVA|R-mevalonic acid http://purl.obolibrary.org/obo/CHEBI_17710 3_STAR
CHEBI:177104 biolink:ChemicalSubstance (4E,8E,10E-d18:3)sphingosine Chemspider:24823212|LIPID_MAPS_instance:LMSP01080013 phenio.json (2S,3R,4E,8E,10E)-2-aminooctadeca-4,8,10-triene-1,3-diol http://purl.obolibrary.org/obo/CHEBI_177104 2_STAR
CHEBI:17711 biolink:ChemicalSubstance nocardicin A CAS:39391-39-4|KEGG:C01941|KNApSAcK:C00018088 phenio.json Nocardicin A|O-{4-[(1Z)-2-{(3S)-1-[(R)-carboxy(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-ylamino}-N-hydroxy-2-oxoethanimidoyl]phenyl}-D-homoserine http://purl.obolibrary.org/obo/CHEBI_17711 3_STAR
CHEBI:17712 biolink:ChemicalSubstance 9H-xanthine An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated. BPDB:2153|CAS:69-89-6|Gmelin:913730|HMDB:HMDB0000292|KEGG:C00385|PDBeChem:XAN|PMID:22770225|Reaxys:609330 phenio.json 2,6-dihydroxypurine|2,6-dioxo-1,2,3,6-tetrahydropurine|3,9-dihydro-1H-purine-2,6-dione|9H-purine-2,6-(1H,3H)-dione|XANTHINE|Xan|Xanthine|purine-2(3H),6(1H)-dione|xanthine http://purl.obolibrary.org/obo/CHEBI_17712 3_STAR
CHEBI:17713 biolink:ChemicalSubstance 2'-deoxyadenosine 5'-monophosphate A purine 2'-deoxyribonucleoside 5'-monophosphate having adenine as the nucleobase. CAS:653-63-4|HMDB:HMDB0000905|KEGG:C00360|MetaCyc:DAMP|PDBeChem:A3A|PMID:8645724|Reaxys:56028|Wikipedia:Deoxyadenosine_monophosphate phenio.json 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE|2'-Deoxyadenosine 5'-monophosphate|2'-Deoxyadenosine 5'-phosphate|2'-dAMP|2'-deoxy-5'-adenosine monophosphate|2'-deoxy-5'-adenylic acid|2'-deoxy-AMP|2'-deoxyadenosine 5'-(dihydrogen phosphate)|2'-deoxyadenosine 5'-monophosphate|2'-deoxyadenosine monophosphate|2'-deoxyadenylic acid|Deoxyadenosine monophosphate|Deoxyadenylic acid|dAMP|deoxy-5'-adenylic acid|deoxy-AMP|deoxyadenosine 5'-monophosphate|deoxyadenosine 5'-phosphate http://purl.obolibrary.org/obo/CHEBI_17713 3_STAR
CHEBI:17715 biolink:ChemicalSubstance quinoline-2,8-diol CAS:15450-76-7|KEGG:C06342 phenio.json 2,8-Quinolinediol|2,8-dihydroxyquinoline|8-Hydroxycarbostyril|8-Hydroxycarbostyryl|Quinolin-2,8-diol|quinoline-2,8-diol http://purl.obolibrary.org/obo/CHEBI_17715 3_STAR
CHEBI:17716 biolink:ChemicalSubstance lactose A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form. CAS:63-42-3|GlyGen:G74621DY|GlyTouCan:G74621DY|Gmelin:882872|KEGG:C00243|KEGG:D00046|KEGG:G10504|KNApSAcK:C00001136|PMID:1292745|PMID:17329833|PMID:18300214|PMID:19053747|PMID:19846069|PMID:19913595|PMID:20094999|PMID:20503067|PMID:20699559|PMID:20873837|PMID:20961532|PMID:21403918|PMID:2432147|PMID:2456994|PMID:28690131|PMID:28807538|PMID:6194884|PMID:7574700|Reaxys:1292745 phenio.json (+)-lactose|(Gal)1 (Glc)1|1-beta-D-Galactopyranosyl-4-D-glucopyranose|4-(beta-D-galactosido)-D-glucose|4-O-beta-D-galactopyranosyl-D-glucose|D-lactose|Galbeta1-4Glc|Lac|Laktobiose|Laktose|Milchzucker|Milk sugar|WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1b_1-5]/1-2/a4-b1|beta-D-Gal-(1->4)-D-Glc|beta-D-Galp-(1->4)-D-Glcp|beta-D-galactopyranosyl-(1->4)-D-glucopyranose|beta-Gal1,4-Glc|lactobiose|lactose|milk sugar http://purl.obolibrary.org/obo/CHEBI_17716 3_STAR
CHEBI:17717 biolink:ChemicalSubstance sulfoacetaldehyde CAS:32797-12-9|KEGG:C00593|KNApSAcK:C00000763 phenio.json 2-Sulfoacetaldehyde|2-oxoethanesulfonic acid|Sulfoacetaldehyde http://purl.obolibrary.org/obo/CHEBI_17717 3_STAR
CHEBI:17719 biolink:ChemicalSubstance beta-D-glucose 6-phosphate A D-glucopyranose 6-phosphate in which the anomeric centre has beta-configuration. Beilstein:1914853|DrugBank:DB04122|HMDB:HMDB0003498|KEGG:C01172|MetaCyc:GLC-6-P|PDBeChem:BG6|PMID:19443021|PMID:31537530|Reaxys:1914853 phenio.json 6-H2PO3Glcbeta|6-O-phosphono-beta-D-glucopyranose|BETA-D-GLUCOSE-6-PHOSPHATE|beta-D-Glucose 6-phosphate|beta-D-Glucose 6-phosphic acid|beta-D-glucopyranose 6-(dihydrogen phosphate)|beta-D-glucose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17719 3_STAR
CHEBI:17720 biolink:ChemicalSubstance 2,3-bisphospho-D-glyceric acid The D-enantiomer of 2,3-bisphosphoglyceric acid. CAS:138-81-8|HMDB:HMDB0001294|KEGG:C01159|MetaCyc:23-DIPHOSPHOGLYCERATE|PDBeChem:DG2|PMID:1257232|PMID:15882454|PMID:2111310|PMID:3702645|PMID:625775|PMID:685194|PMID:7308813|PMID:7376803|PMID:8735521|PMID:9708696|Reaxys:1729440 phenio.json (2R)-2,3-bis(phosphonooxy)propanoic acid|2,3-BPG|2,3-Bisphospho-D-glycerate|2,3-Bisphosphoglyceric acid|2,3-Disphospho-D-glycerate|2,3-bisphospho-D-glycerate|2,3-diphosphoglyceric acid|2,3-disphospho-D-glycerate|D-Greenwald ester|DPG|Glyceric acid bis(dihydrogen phosphate)|Glyceric acid diphosphate http://purl.obolibrary.org/obo/CHEBI_17720 3_STAR
CHEBI:17721 biolink:ChemicalSubstance (S,S,S)-nicotianamine The (S,S,S)-stereoisomer of nicotianamine. CAS:34441-14-0|KEGG:C05324|KNApSAcK:C00016287|MetaCyc:CPD-463|PMID:16245165|PMID:18823453|Reaxys:8163098|Wikipedia:Nicotianamine phenio.json (2S)-1-[(3S)-3-{[(3S)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]azetidine-2-carboxylic acid|Nicotianamine http://purl.obolibrary.org/obo/CHEBI_17721 3_STAR
CHEBI:17724 biolink:ChemicalSubstance N,N-dimethylglycine An N-methylglycine that is glycine carrying two N-methyl substituents. CAS:1118-68-9|DrugBank:DB02083|Gmelin:82215|HMDB:HMDB0000092|KEGG:C01026|MetaCyc:DIMETHYL-GLYCINE|PDBeChem:DMG|PMID:17190852|PMID:21228267|PMID:22418088|PMID:22510294|Reaxys:1700261 phenio.json (dimethylamino)acetic acid|2-(Dimethylamino)acetic acid|Dimethylglycine|N,N-DIMETHYLGLYCINE|N,N-Dimethylaminoacetic acid|N,N-Dimethylglycine|N,N-dimethylglycine|N-Methylsarcosine http://purl.obolibrary.org/obo/CHEBI_17724 3_STAR
CHEBI:177257 biolink:ChemicalSubstance Isoleucyl-Threonine Chemspider:16568328|HMDB:HMDB0028917 phenio.json 2-[(2-amino-3-methylpentanoyl)amino]-3-hydroxybutanoic acid http://purl.obolibrary.org/obo/CHEBI_177257 2_STAR
CHEBI:17726 biolink:ChemicalSubstance [Glu(-Cys)]n-Gly phenio.json http://purl.obolibrary.org/obo/CHEBI_17726 1_STAR
CHEBI:17727 biolink:ChemicalSubstance phorbol 13-butanoate KEGG:C03019 phenio.json (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-4a,7b,9-trihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl butyrate|Phorbol 13-butanoate|phorbol 13-butanoate http://purl.obolibrary.org/obo/CHEBI_17727 3_STAR
CHEBI:17728 biolink:ChemicalSubstance S-methyl-L-methionine A sulfonium compound that is the conjugate acid of S-methyl-L-methioninate. Drug_Central:3354|KEGG:C03172 phenio.json L-Methionine methylsulfonium|S-Methyl-L-methionine|S-methyl-L-methionine|[(3S)-3-amino-3-carboxypropyl](dimethyl)sulfonium http://purl.obolibrary.org/obo/CHEBI_17728 3_STAR
CHEBI:177286 biolink:ChemicalSubstance O-fatty acyl-L-serine residue PMID:18443287 phenio.json O-fatty acyl-L-serine residue http://purl.obolibrary.org/obo/CHEBI_177286 2_STAR
CHEBI:17729 biolink:ChemicalSubstance (S)-norcoclaurine CAS:22672-77-1|KEGG:C06160 phenio.json (1S)-1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol|(S)-Norcoclaurine|6,7-Dihydroxy-(1S)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline http://purl.obolibrary.org/obo/CHEBI_17729 3_STAR
CHEBI:17730 biolink:ChemicalSubstance quercetin 3-sulfate A quercetin sulfate with a sulfo group at position 3. CAS:60889-05-6|KEGG:C00616|KNApSAcK:C00004956|LIPID_MAPS_instance:LMPK12112304|MetaCyc:CPD-1822|PMID:7411385|Reaxys:6669649|Wikipedia:Quercetin_3-O-sulfate phenio.json 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl hydrogen sulfate|4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3,4-dihydroxyphenyl)-3-(sulfooxy)|Quercetin 3-sulfate|quercetin 3-(hydrogen sulfate)|quercetin 3-O-sulfate|quercetin 3-monosulphate http://purl.obolibrary.org/obo/CHEBI_17730 3_STAR
CHEBI:17732 biolink:ChemicalSubstance Ala-tRNA(Ala) KEGG:C00886 phenio.json Ala-tRNA(Ala)|L-Alanyl-tRNA|L-Alanyl-tRNA(Ala) http://purl.obolibrary.org/obo/CHEBI_17732 3_STAR
CHEBI:17733 biolink:ChemicalSubstance aldehydo-D-galactose 6-phosphate The ring-opened aldehydo-form of D-galactose 6-phosphate. CAS:6665-00-5|KEGG:C01113|PMID:17439666|Reaxys:1728865 phenio.json 6-O-phosphono-D-galactose|D-galactose, 6-(dihydrogen phosphate)|aldehydo-D-galactose 6-(dihydrogen phosphate)|galactose-6-phosphate http://purl.obolibrary.org/obo/CHEBI_17733 3_STAR
CHEBI:177332 biolink:ChemicalSubstance carbotetracyclic compound A carbopolyclic compound comprising of four carbocyclic rings. phenio.json carbotetracyclic compounds http://purl.obolibrary.org/obo/CHEBI_177332 3_STAR
CHEBI:177333 biolink:ChemicalSubstance organic tetracyclic compound phenio.json organic tetracyclic compounds http://purl.obolibrary.org/obo/CHEBI_177333 3_STAR
CHEBI:177334 biolink:ChemicalSubstance 3',2'-cGAMP(2-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 3',2'-cGAMP; major species at pH 7.3. PMID:34261127|PMID:34261128 phenio.json 3',2'-cGAMP|cG[3'-5']pA[2'-5']p http://purl.obolibrary.org/obo/CHEBI_177334 2_STAR
CHEBI:17734 biolink:ChemicalSubstance alpha-cyclopiazonic acid Beilstein:6874884|CAS:83136-88-3|KEGG:C03032 phenio.json (6aR,10Z,11aS,11bR)-10-(1-hydroxyethylidene)-7,7-dimethyl-6a,7,11a,11b-tetrahydro-6H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indole-9,11(2H,10H)-dione|alpha-Cyclopiazonate|alpha-Cyclopiazonic acid http://purl.obolibrary.org/obo/CHEBI_17734 3_STAR
CHEBI:17735 biolink:ChemicalSubstance N,N-dimethylaniline N-oxide A member of the class of dimethylanilines that is N,N-dimethylaniline in which the tertiary amino group has been oxidised to give the corresponding N-oxide. CAS:874-52-2|FooDB:FDB022640|HMDB:HMDB0001466|KEGG:C01183|MetaCyc:NN-DIMETHYLANILINE-N-OXIDE|PMID:13201|PMID:2750202|PMID:4260498|PMID:6030897|PMID:6719937 phenio.json N,N-Dimethylaniline N-oxide|N,N-dimethylaniline N-oxide|dimethyl(phenyl)amine oxide|dimethylaniline N-oxide http://purl.obolibrary.org/obo/CHEBI_17735 3_STAR
CHEBI:17736 biolink:ChemicalSubstance S-(4-bromophenyl)-L-cysteine Beilstein:3204780|KEGG:C03900 phenio.json (2R)-2-amino-3-[(4-bromophenyl)sulfanyl]propanoic acid|S-(4-Bromophenyl)-L-cysteine|S-(4-bromophenyl)-L-cysteine http://purl.obolibrary.org/obo/CHEBI_17736 3_STAR
CHEBI:17737 biolink:ChemicalSubstance desmosterol A cholestanoid that is cholesta-5,24-diene substituted by a beta-hydroxy group at position 3. It is an intermediate metabolite obtained during the synthesis of cholesterol. CAS:313-04-2|HMDB:HMDB0002719|KEGG:C01802|KNApSAcK:C00023743|LIPID_MAPS_instance:LMST01010016|MetaCyc:DESMOSTEROL-CPD|PMID:19115107|PMID:23042211|PMID:24095826|PMID:24378747|PMID:5432584|Reaxys:2338693|Wikipedia:Desmosterol phenio.json 24-Dehydrocholesterol|3beta-cholesta-5,24-dien-3-ol|Cholesta-5,24-dien-3beta-ol|Desmosterol|cholesta-5,24-dien-3beta-ol|desmosterol http://purl.obolibrary.org/obo/CHEBI_17737 3_STAR
CHEBI:177372 biolink:ChemicalSubstance naxagolide An organic heterotricyclic compound that is (4aR,10bR)-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazine substituted by propyl and hydroxy groups at positions 4 and 9, respectively. It is a potent dopamine D2-receptor agonist and its hydrochloride salt was under clinical development by Merck & Co as a potential antiparkinsonian agent (now discontinued). CAS:88058-88-2|Chemspider:51863|PMID:10956195|PMID:11105937|PMID:15646539|PMID:15943487|PMID:1681090|PMID:1840645|PMID:19635669|PMID:2140595|PMID:24325578|PMID:2904649|PMID:3758188|PMID:6433000|PMID:8078498|PMID:8301582 phenio.json (+)-4-propyl-9-hydroxynaphthoxazine|(+)-PHNO|(4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol|(4aR-trans)-3,4,4a,5,6,10b-hexahydro-4-propyl-2H-naphth[1,2-b]-1,4-oxazin-9-ol|PHNO|dopazinol|naxagolida|naxagolide|naxagolidum|nazagolide http://purl.obolibrary.org/obo/CHEBI_177372 3_STAR
CHEBI:17738 biolink:ChemicalSubstance N-methyl-2-oxoglutaramate phenio.json 5-(methylamino)-2,5-dioxopentanoate|N-methyl-2-oxoglutaramate http://purl.obolibrary.org/obo/CHEBI_17738 3_STAR
CHEBI:177380 biolink:ChemicalSubstance naxagolide(1+) A tertiary ammonium ion that is the conjugate acid of naxagolide arising from the protonation of the tertiary amino group. Major microspecies at pH 7.3. phenio.json (4aR,10bR)-9-hydroxy-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-4-ium|naxagolide cation http://purl.obolibrary.org/obo/CHEBI_177380 3_STAR
CHEBI:1774 biolink:ChemicalSubstance (E)-4-(trimethylammonio)but-2-enoic acid A 4-(trimethylammonio)but-2-enoic acid with a (E)-configuration at the double bond. KEGG:C04114|Reaxys:1764693 phenio.json (2E)-3-carboxy-N,N,N-trimethylprop-2-en-1-aminium|4-(Trimethylammonio)but-2-enoate http://purl.obolibrary.org/obo/CHEBI_1774 3_STAR
CHEBI:17740 biolink:ChemicalSubstance 3-oxoalanine A non-proteinogenic alpha-amino acid that is serine in which the alcoholic hydroxy group has been formally oxidised to the corresponding formyl group. Beilstein:4366399 phenio.json 2-amino-3-oxopropanoic acid|3-oxoalanine|C(alpha)-formylglycine|C-formylglycine|FGly|alpha-formylglycine http://purl.obolibrary.org/obo/CHEBI_17740 3_STAR
CHEBI:177406 biolink:ChemicalSubstance Bardoxolone methyl CAS:218600-53-4|Chemspider:355161|DrugBank:DB05983|KEGG:D09585|LINCS:LSM-45471 phenio.json methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate http://purl.obolibrary.org/obo/CHEBI_177406 2_STAR
CHEBI:17741 biolink:ChemicalSubstance N,N-dimethylformamide A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups. CAS:68-12-2|DrugBank:DB01844|HMDB:HMDB0001888|KEGG:C03134|MetaCyc:CPD-581|PDBeChem:DMF|PMID:18666198|PMID:19608215|PMID:23313473|PMID:3824392|Reaxys:605365|Wikipedia:Dimethylformamide phenio.json DMF|Dimethylformamide|N,N-Dimethylformamide|N,N-Dimethylmethanamide|N,N-dimethylformamide|N-Formyldimethylamine http://purl.obolibrary.org/obo/CHEBI_17741 3_STAR
CHEBI:177416 biolink:ChemicalSubstance Pexacerfont CAS:459856-18-9|Chemspider:8060040|DrugBank:DB12572|KEGG:D10022 phenio.json N-[(2R)-butan-2-yl]-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine http://purl.obolibrary.org/obo/CHEBI_177416 2_STAR
CHEBI:17742 biolink:ChemicalSubstance 4-hydroxy-2-oxoglutarate(2-) An oxo dicarboxylate obtained by deprotonation of both carboxy groups of 4-hydroxy-2-oxoglutaric acid. KEGG:C01127|MetaCyc:4-HYDROXY-2-KETO-GLUTARATE phenio.json 2-hydroxy-4-oxoglutarate|2-hydroxy-4-oxopentanedioate|2-keto-4-hydroxyglutarate|2-oxo-4-hydroxyglutarate|4-hydroxy-2-ketoglutarate|4-hydroxy-2-oxoglutarate http://purl.obolibrary.org/obo/CHEBI_17742 3_STAR
CHEBI:17745 biolink:ChemicalSubstance coniferol A phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituent to the aromatic ring. CAS:458-35-5|FooDB:FDB015496|HMDB:HMDB0012915|KEGG:C00590|KNApSAcK:C00000614|MetaCyc:CONIFERYL-ALCOHOL|PDBeChem:N7I|PMID:11430982|PMID:11684179|PMID:12676987|PMID:20336005|PMID:21319787|PMID:22851762|PMID:22920542|PMID:23131896|PMID:23159486|PMID:23188459|PMID:23448127|PMID:23624856|PMID:23633600|PMID:23876147|PMID:31629237|PMID:6660881|Reaxys:2048963|Wikipedia:Coniferyl_alcohol phenio.json (E)-coniferol|4-(3-Hydroxy-1-propenyl)-2-methoxyphenol|4-(3-hydroxy-1-propenyl)-2-methoxyphenol|4-[(1E)-3-hydroxy-1-propenyl]-2-methoxyphenol|4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenol|Coniferol|Coniferyl alcohol|trans-coniferol|trans-coniferyl alcohol http://purl.obolibrary.org/obo/CHEBI_17745 3_STAR
CHEBI:177453 biolink:ChemicalSubstance Elagolix CAS:834153-87-6|Chemspider:9425680|DrugBank:DB11979|Drug_Central:5293|KEGG:D09335|PDBeChem:F5O phenio.json 4-[[(1R)-2-[5-(2-luoro-3-methoxyphenyl)-3-[[2-luoro-6-(triluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid http://purl.obolibrary.org/obo/CHEBI_177453 2_STAR
CHEBI:17746 biolink:ChemicalSubstance D-xylonate phenio.json (2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate|D-xylonate http://purl.obolibrary.org/obo/CHEBI_17746 3_STAR
CHEBI:17747 biolink:ChemicalSubstance bis(2-ethylhexyl) phthalate A phthalate ester that is the bis(2-ethylhexyl) ester of benzene-1,2-dicarboxylic acid. CAS:117-81-7|KEGG:C03690|MetaCyc:BIS2-ETHYLHEXYLPHTHALATE|PMID:12963402|PMID:16874505|PMID:17286146|PMID:19211671|PMID:19840837|PMID:28199414|PMID:28763719|Reaxys:1890696|Wikipedia:Bis(2-ethylhexyl)_phthalate phenio.json 1,2-Benzenedicarboxylic acid bis(2-ethylhexyl) ester|2-Ethylhexyl phthalate|Bis(2-ethylhexyl) o-phthalate|Bis(2-ethylhexyl)phthalate|Bis(ethylhexyl) phthalate|DEHP|Di(2-ethylhexyl) o-phthalate|Di(2-ethylhexyl)orthophthalate|Di(2-ethylhexyl)phthalate|Di(ethylhexyl) phthalate|Di-sec-octyl phthalate|Diethylhexyl phthalate|Dioctyl phthalate|Octyl phthalate|Phthalic acid bis(2-ethylhexyl) ester|Phthalic acid di(2-ethylhexyl) ester|bis(2-ethylhexyl) benzene-1,2-dicarboxylate|bis(2-ethylhexyl)phthalate|di-iso-Octyl phthalate http://purl.obolibrary.org/obo/CHEBI_17747 3_STAR
CHEBI:17748 biolink:ChemicalSubstance thymidine A pyrimidine 2'-deoxyribonucleoside having thymine as the nucleobase. CAS:50-89-5|DrugBank:DB04485|Gmelin:282610|HMDB:HMDB0000273|KEGG:C00214|KNApSAcK:C00019698|MetaCyc:THYMIDINE|PDBeChem:THM|PMID:22770225|PMID:2559771|Reaxys:89285|Wikipedia:Thymidine phenio.json 1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione|2'-deoxy-5-methyluridine|2'-deoxythymidine|2'-thymidine|5-methyl-2'-deoxyuridine|Deoxythymidine|T|THYMIDINE|Thymidine|dThd|thymidine|thymine 2'-deoxyriboside http://purl.obolibrary.org/obo/CHEBI_17748 3_STAR
CHEBI:17750 biolink:ChemicalSubstance glycine betaine The amino acid betaine derived from glycine. CAS:107-43-7|Drug_Central:347|Gmelin:26434|HMDB:HMDB0000043|KEGG:C00719|KEGG:D07523|KNApSAcK:C00007291|MetaCyc:BETAINE|PDBeChem:BET|PMID:16197300|PMID:18326594|PMID:20346934|PMID:20446114|PMID:20642826|PMID:22770225|Reaxys:3537113|Wikipedia:Trimethylglycine|YMDB:YMDB01516 phenio.json (trimethylammonio)acetate|(trimethylammoniumyl)acetate|1-carboxy-N,N,N-trimethylmethanaminium inner salt|2-N,N,N-trimethylammonio acetate|Bet|Betaine|Glycine betaine|N,N,N-Trimethylglycine|N,N,N-trimethylammonioacetate|Trimethylaminoacetate|Trimethylammonioacetate|abromine|acidol|glycine betaine|trimethylglycine|trimethylglycocoll http://purl.obolibrary.org/obo/CHEBI_17750 3_STAR
CHEBI:177504 biolink:ChemicalSubstance Butylphthalide CAS:6066-49-5|Chemspider:55293|DrugBank:DB12749|Drug_Central:5257|HMDB:HMDB0032064|KEGG:C17854 phenio.json 3-butyl-3H-2-benzouran-1-one http://purl.obolibrary.org/obo/CHEBI_177504 2_STAR
CHEBI:17751 biolink:ChemicalSubstance dihydrostreptomycin 3'alpha,6-bisphosphate KEGG:C01280 phenio.json (1R,2S,3S,4R,5S,6S)-2,4-dicarbamimidamido-3,6-dihydroxy-5-(phosphonooxy)cyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-[(phosphonooxy)methyl]-alpha-L-lyxofuranoside|Dihydrostreptomycin 3'alpha,6-bisphosphate http://purl.obolibrary.org/obo/CHEBI_17751 3_STAR
CHEBI:177517 biolink:ChemicalSubstance Bifeprunox CAS:350992-10-8|Chemspider:181044|DrugBank:DB04888|KEGG:D06566 phenio.json 7-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one http://purl.obolibrary.org/obo/CHEBI_177517 2_STAR
CHEBI:17752 biolink:ChemicalSubstance N(6)-acetyl-L-lysine An N(6)-acyl-L-lysine where the N(6)-acyl group is specified as acetyl. CAS:692-04-6|Gmelin:747339|HMDB:HMDB0000206|KEGG:C02727|MetaCyc:CPD-567|PDBeChem:ALY|PMID:1285645|PMID:6790164|PMID:9169194|Reaxys:1725438|Wikipedia:Acetyllysine phenio.json (2S)-6-(acetylamino)-2-aminohexanoic acid|N(6)-ACETYLLYSINE|N(6)-Acetyl-L-lysine|N(6)-acetyl-L-lysine|N(epsilon)-acetyl-L-lysine|N(zeta)-acetyl-L-lysine|N(zeta)-acetyllysine|N-Epsilon-acetyllysine|N-epsilon-Acetyl-L-lysine|N6-Acetyl-L-lysine http://purl.obolibrary.org/obo/CHEBI_17752 3_STAR
CHEBI:177536 biolink:ChemicalSubstance Galeterone CAS:851983-85-2|Chemspider:9363493|DrugBank:DB12415|KEGG:D10125|PDBeChem:TOK phenio.json (3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol http://purl.obolibrary.org/obo/CHEBI_177536 2_STAR
CHEBI:17754 biolink:ChemicalSubstance glycerol A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups. CAS:56-81-5|Chemspider:733|DrugBank:DB04077|Drug_Central:1316|ECMDB:ECMDB00131|FooDB:FDB000756|Gmelin:26279|HMDB:HMDB0000131|KEGG:C00116|KEGG:D00028|KNApSAcK:C00001163|LINCS:LSM-37180|MetaCyc:GLYCEROL|PDB:2AJS|PDB:2D03|PDBeChem:GOL|PMID:11302662|PMID:11958517|PMID:11994365|PMID:12672239|PMID:12687625|PMID:12689633|PMID:12713573|PMID:14559393|PMID:14563847|PMID:15026783|PMID:15342117|PMID:15786693|PMID:15983192|PMID:16244855|PMID:16258193|PMID:16319039|PMID:16349488|PMID:16475911|PMID:16651733|PMID:16664750|PMID:16901854|PMID:17336832|PMID:17439666|PMID:17979222|PMID:19184438|PMID:19231894|PMID:19460032|PMID:19548674|PMID:19795216|PMID:19956799|PMID:22705534|PMID:23562176|PMID:23747440|PMID:24643482|PMID:24835191|PMID:25108762|PMID:558160|PMID:6299616|PMID:7031247|PMID:7392035|PPDB:1317|Reaxys:635685|UM-BBD_compID:c0066|Wikipedia:Glycerol|YMDB:YMDB00283 phenio.json 1,2,3-Propanetriol|1,2,3-Trihydroxypropane|GLYCEROL|Glycerin|Glyceritol|Glycerol|Glyzerin|Gro|Oelsuess|Propanetriol|Trihydroxypropane|glycerine|glycerol|glycerolum|glycyl alcohol|propane-1,2,3-triol http://purl.obolibrary.org/obo/CHEBI_17754 3_STAR
CHEBI:177543 biolink:ChemicalSubstance terrein CAS:582-46-7|Chemspider:4941440 phenio.json (4S,5R)-4,5-dihydroxy-3-[(E)-prop-1-enyl]cyclopent-2-en-1-one http://purl.obolibrary.org/obo/CHEBI_177543 2_STAR
CHEBI:177549 biolink:ChemicalSubstance palinavir CAS:154612-39-2|Chemspider:65793|KEGG:D03840 phenio.json N-[(2S)-1-[[(2S,3R)-4-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(pyridin-4-ylmethoxy)piperidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide http://purl.obolibrary.org/obo/CHEBI_177549 2_STAR
CHEBI:17755 biolink:ChemicalSubstance cystathionine A modified amino acid generated by enzymic means from homocysteine and serine. CAS:535-34-2|KEGG:C00542|PMID:12907234|PMID:15033753|PMID:22212096|PMID:22264337|Reaxys:2416815 phenio.json 2-amino-4-[(2-amino-2-carboxyethyl)sulfanyl]butanoic acid|Cystathionine|DL-Cystathionine|S-(2-amino-2-carboxyethyl)homocysteine|cystathione http://purl.obolibrary.org/obo/CHEBI_17755 3_STAR
CHEBI:17756 biolink:ChemicalSubstance (S)-mandelate CAS:17199-29-0|Gmelin:328160|KEGG:C01984|UM-BBD_compID:c0154 phenio.json (2S)-hydroxy(phenyl)acetate|(S)-mandelate http://purl.obolibrary.org/obo/CHEBI_17756 3_STAR
CHEBI:177562 biolink:ChemicalSubstance Selamectin CAS:165108-07-6|Chemspider:16738655|DrugBank:DB11459|KEGG:D05813 phenio.json (1R,4S,5'S,6R,6'S,8R,10E,12S,13S,14E,16E,20R,21Z,24S)-6'-cyclohexyl-24-hydroxy-21-hydroxyimino-12-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one http://purl.obolibrary.org/obo/CHEBI_177562 2_STAR
CHEBI:177564 biolink:ChemicalSubstance irdabisant CAS:1005402-19-6|Chemspider:25991416|DrugBank:DB12900|KEGG:D10128 phenio.json 3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one http://purl.obolibrary.org/obo/CHEBI_177564 2_STAR
CHEBI:17757 biolink:ChemicalSubstance plastoquinone A polyprenylbenzoquinone that is 2,3-dimethylbenzoquinone with a polyprenyl side chain at position 5. There are several naturally-occurring plastoquinones with side chains of different length (containing between 6 and 9 isoprene units). CAS:112055-76-2|KEGG:C02061 phenio.json 2,3-dimethylpolyprenylbenzoquinones|Plastoquinone|a plastoquinone http://purl.obolibrary.org/obo/CHEBI_17757 3_STAR
CHEBI:177582 biolink:ChemicalSubstance Jujuboside A Chemspider:24534050|KEGG:C17831 phenio.json (2S,3R,4R,5R,6S)-2-[(2S,3R,4S,5S)-4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-[[(1S,2R,5R,7S,10R,11R,14R,15S,16S,18R,20S)-16-hydroxy-2,6,6,10,16-pentamethyl-18-(2-methylprop-1-enyl)-19,21-dioxahexacyclo[18.2.1.01,14.02,11.05,10.015,20]tricosan-7-yl]oxy]oxan-3-yl]oxy-6-methyloxane-3,4,5-triol http://purl.obolibrary.org/obo/CHEBI_177582 2_STAR
CHEBI:17759 biolink:ChemicalSubstance cholesta-5,7-dien-3beta-ol Beilstein:2224615|CAS:434-16-2|Gmelin:893079|KEGG:C01164|KNApSAcK:C00023747|LIPID_MAPS_instance:LMST01010069 phenio.json (3beta)-cholesta-5,7-dien-3-ol|5,7-cholestadien-3-beta-ol|5,7-cholestadien-3beta-ol|7-Dehydrocholesterol|7-dehydrocholesterol|Cholesta-5,7-dien-3beta-ol|Provitamin D3|cholesta-5,7-dien-3beta-ol http://purl.obolibrary.org/obo/CHEBI_17759 3_STAR
CHEBI:17760 biolink:ChemicalSubstance methyl sulfate An alkyl sulfate that is the monomethyl ester of sulfuric acid. CAS:75-93-4|KEGG:C02704|MetaCyc:CPD-545|PMID:23566920|Reaxys:1701229|Wikipedia:Methyl_bisulfate phenio.json Methyl sulfate|Monomethyl sulfate|methyl hydrogen sulfate http://purl.obolibrary.org/obo/CHEBI_17760 3_STAR
CHEBI:177607 biolink:ChemicalSubstance Taranabant CAS:701977-09-5|Chemspider:9401143|DrugBank:DB06624|KEGG:D09009|LINCS:LSM-45803|PDBeChem:7DY phenio.json N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(triluoromethyl)pyridin-2-yl]oxypropanamide http://purl.obolibrary.org/obo/CHEBI_177607 2_STAR
CHEBI:177609 biolink:ChemicalSubstance Tariquidar CAS:206873-63-4|Chemspider:130650|DrugBank:DB06240|KEGG:D06008|PDBeChem:R1H phenio.json N-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]-4,5-dimethoxyphenyl]quinoline-3-carboxamide http://purl.obolibrary.org/obo/CHEBI_177609 2_STAR
CHEBI:17761 biolink:ChemicalSubstance ceramide Ceramides (N-acyl-sphingoid bases) are a major subclass of sphingoid base derivatives with an amide-linked fatty acid. The fatty acids are typically saturated or monounsaturated with chain lengths from 14 to 26 carbon atoms; the presence of a hydroxyl group on carbon 2 is fairly common. Ceramides are generally precursors of more complex sphingolipids. In the illustrated generalised structure, R(1) = OH, OX (where X = acyl, glycosyl, phosphate, phosphonate, etc.), or H. KEGG:C00195|LIPID_MAPS_class:LMSP02|PMID:7542630|Wikipedia:Ceramide phenio.json Cer|Ceramide|N-acylated sphingoid|a ceramide|ceramides http://purl.obolibrary.org/obo/CHEBI_17761 3_STAR
CHEBI:17763 biolink:ChemicalSubstance 4-methylumbelliferyl acetate An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group. CAS:2747-05-9|HMDB:HMDB0032989|KEGG:C03837|MetaCyc:CPD-181|PMID:11888210|PMID:23245880|Patent:US2008009544|Patent:WO2007107846|Reaxys:189667 phenio.json 4-Methylumbelliferyl acetate|4-methyl-2-oxo-2H-chromen-7-yl acetate|4-methyl-7-acetyloxy coumarin|4-methylumbelliferyl acetate|7-(Acetyloxy)-4-methyl-2-benzopyrone|7-(acetyloxy)-4-methyl-2H-1-benzopyran-2-one|7-Acetoxy-4-methylcoumarin|7-acetoxy-4-methylchromen-2-one|beta-Methylumbelliferyl acetate http://purl.obolibrary.org/obo/CHEBI_17763 3_STAR
CHEBI:17764 biolink:ChemicalSubstance 2-C-methyl-D-erythritol 4-(dihydrogen phosphate) KEGG:C11434|KNApSAcK:C00007297 phenio.json (2R,3S)-2,3,4-trihydroxy-3-methylbutyl dihydrogen phosphate|2-C-Methyl-D-erythritol 4-phosphate http://purl.obolibrary.org/obo/CHEBI_17764 3_STAR
CHEBI:177647 biolink:ChemicalSubstance Rolofylline Chemspider:58188|KEGG:D08989 phenio.json 1,3-dipropyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione http://purl.obolibrary.org/obo/CHEBI_177647 2_STAR
CHEBI:177658 biolink:ChemicalSubstance Ganaxolone CAS:38398-32-2|Chemspider:5293511|DrugBank:DB05087|KEGG:D04300|LINCS:LSM-45679 phenio.json 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone http://purl.obolibrary.org/obo/CHEBI_177658 2_STAR
CHEBI:17766 biolink:ChemicalSubstance cyclohexane-1,3-dione A cyclohexanedione carrying oxo substituents at positions 1 and 3. CAS:504-02-9|Gmelin:200899|KEGG:C01066|MetaCyc:CYCLOHEXANE-13-DIONE|PMID:18863814|PMID:5654929|Reaxys:385888 phenio.json 1,3-Cyclohexanedione|Cyclohexane-1,3-dione|Dihydroresorcinol|cyclohexane-1,3-dione http://purl.obolibrary.org/obo/CHEBI_17766 3_STAR
CHEBI:17767 biolink:ChemicalSubstance D-mannonate The D-enantiomer of mannonate. KEGG:C00514 phenio.json D-Mannonate|D-mannonate http://purl.obolibrary.org/obo/CHEBI_17767 3_STAR
CHEBI:17768 biolink:ChemicalSubstance N-acetylputrescine An N-monoacetylalkane-alpha,omega-diamine that is the N-monoacetyl derivative of putrescine. CAS:18233-70-0|CAS:5699-41-2|HMDB:HMDB0002064|KEGG:C02714|MetaCyc:CPD-569|PMID:10198034|PMID:15073218|PMID:16232710|PMID:197226|PMID:22770225|PMID:23081916|PMID:2320051|PMID:2775189|PMID:3627168|PMID:6257381|PMID:7092834|PMID:7406885|PMID:7630314|PMID:7663691|PMID:7817785|PMID:8441357|PMID:894508|PMID:8955325|Reaxys:1749697 phenio.json N-(4-aminobutyl)acetamide|N-Acetylputrescine http://purl.obolibrary.org/obo/CHEBI_17768 3_STAR
CHEBI:17769 biolink:ChemicalSubstance 4-aminobutanal An omega-aminoaldehyde that is butanal in which one of the hydrogens of the terminal methyl group has been replaced by an amino group. KEGG:C00555|KNApSAcK:C00019656 phenio.json 4-Aminobutanal|4-Aminobutyraldehyde|4-amino-butyraldehyde|4-aminobutanal|Butyraldehyde, 4-amino- http://purl.obolibrary.org/obo/CHEBI_17769 3_STAR
CHEBI:17770 biolink:ChemicalSubstance 1-hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone A monosaccharide derivative that is alizarin substituted by a beta-D-glucopyranosyl residue at position 2 via a glycosidic linkage. Beilstein:59007|CAS:31297-82-2|KEGG:C04719 phenio.json 1,2-dihydroxy-9,10-anthraquinone 2-O-beta-D-glucopyranoside|1-Hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone|1-hydroxy-2-(beta-D-glucopyranosyloxy)-9,10-anthraquinone|1-hydroxy-2-(beta-D-glucosyloxy)-9,10-anthraquinone|1-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl beta-D-glucopyranoside|2-(beta-D-glucopyranosyloxy)-1-hydroxy-9,10-anthracenedione|2-alizarin-beta-D-glucoside|alizarin-2-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_17770 3_STAR
CHEBI:17771 biolink:ChemicalSubstance trans-urocanate A urocanate obtained by deprotonation of the carboxy group of trans-urocanic acid; major species at pH 7.3. Reaxys:5735282 phenio.json (2E)-3-(1H-imidazol-4-yl)prop-2-enoate|(E)-3-(imidazol-4-yl)propenoate|trans-urocanate http://purl.obolibrary.org/obo/CHEBI_17771 3_STAR
CHEBI:17772 biolink:ChemicalSubstance (S)-tetrahydrocolumbamine A berberine alkaloid consisting of columbamine having four extra hydrogens at positions 5, 8, 13 and 13a and (S)-configuration. CAS:483-34-1|KEGG:C04118|KNApSAcK:C00025632|Reaxys:4717587 phenio.json (13aS)-3,9,10-trimethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinolin-2-ol|(13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-Dibenzo[a,g]quinolizin-2-ol|(13aS)-5,8,13,13a-tetrahydro-3,9,10-trimethoxy-6H-dibenzo[a,g]quinolizin-2-ol|(S)-Tetrahydrocolumbamine|(S)-tetrahydrocolumbamine|5,8,13,13a-Tetrahydrocolumbamine|Isocorypalmine http://purl.obolibrary.org/obo/CHEBI_17772 3_STAR
CHEBI:17773 biolink:ChemicalSubstance D-ribonate Conjugate base of D-ribonic acid. Beilstein:3905365|KEGG:C01685 phenio.json D-Ribonate|D-ribonate http://purl.obolibrary.org/obo/CHEBI_17773 3_STAR
CHEBI:177731 biolink:ChemicalSubstance Sabeluzole CAS:104383-17-7|Chemspider:53964|KEGG:D05780 phenio.json 1-[4-[1,3-benzothiazol-2-yl(methyl)amino]piperidin-1-yl]-3-(4-luorophenoxy)propan-2-ol http://purl.obolibrary.org/obo/CHEBI_177731 2_STAR
CHEBI:17774 biolink:ChemicalSubstance pimelate(1-) A dicarboxylic acid monoanion that is the conjugate base of pimelic acid. Gmelin:1449709 phenio.json 6-carboxyhexanoate|Pimelate|heptanedioate|hydrogen pimelate http://purl.obolibrary.org/obo/CHEBI_17774 3_STAR
CHEBI:177741 biolink:ChemicalSubstance Morphiceptin CAS:74135-04-9|Chemspider:106565|HMDB:HMDB0005777 phenio.json (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide http://purl.obolibrary.org/obo/CHEBI_177741 2_STAR
CHEBI:17775 biolink:ChemicalSubstance 7,9-dihydro-1H-purine-2,6,8(3H)-trione An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8. CAS:69-93-2|DrugBank:DB01696|Gmelin:241332|HMDB:HMDB0000289|KEGG:C00366|KNApSAcK:C00007301|MetaCyc:URATE|PDBeChem:URC|PMID:22770225|Reaxys:156158|Wikipedia:Uric_acid phenio.json 2,6,8-trioxopurine|2,6,8-trioxypurine|7,9-dihydro-1H-purine-2,6,8(3H)-trione|URIC ACID|Urate|Uric acid|purine-2,6,8(1H,3H,9H)-trione|urate http://purl.obolibrary.org/obo/CHEBI_17775 3_STAR
CHEBI:177758 biolink:ChemicalSubstance Omadacycline Chemspider:65322556|KEGG:D09647 phenio.json (4S,4aS,5aR,12aR)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide http://purl.obolibrary.org/obo/CHEBI_177758 2_STAR
CHEBI:177762 biolink:ChemicalSubstance Alovudine CAS:25526-93-6|Chemspider:30578|DrugBank:DB06198|KEGG:D02830 phenio.json 1-[(2R,4S,5R)-4-luoro-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione http://purl.obolibrary.org/obo/CHEBI_177762 2_STAR
CHEBI:17778 biolink:ChemicalSubstance 2-hydroxy-3-oxosuccinic acid Beilstein:2358870|KEGG:C03459 phenio.json 2-Hydroxy-3-oxosuccinate|2-hydroxy-3-oxobutanedioic acid|Oxaloglycolate http://purl.obolibrary.org/obo/CHEBI_17778 3_STAR
CHEBI:177783 biolink:ChemicalSubstance eniluracil CAS:59989-18-3|Chemspider:39327|DrugBank:DB03516|KEGG:D03998|PDBeChem:Y3G phenio.json 5-ethynyl-1H-pyrimidine-2,4-dione http://purl.obolibrary.org/obo/CHEBI_177783 2_STAR
CHEBI:177789 biolink:ChemicalSubstance Carnidazole CAS:42116-76-7|Chemspider:2297829|KEGG:D03408 phenio.json O-methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamothioate http://purl.obolibrary.org/obo/CHEBI_177789 2_STAR
CHEBI:17780 biolink:ChemicalSubstance 5-hydroxy-L-tryptophan The L-enantiomer of 5-hydroxytryptophan. CAS:4350-09-8|DrugBank:DB02959|Drug_Central:4006|Gmelin:1862149|HMDB:HMDB0000472|KEGG:C00643|KEGG:D07339|KNApSAcK:C00001371|MetaCyc:5-HYDROXY-TRYPTOPHAN|PDBeChem:4PQ|PMID:22964922|PMID:24321061|PMID:24369991|PMID:5297581|PMID:9295177|Reaxys:88200|Wikipedia:5-Hydroxytryptophan phenio.json (2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid|5-Hydroxy-L-tryptophan|5-hydroxy-L-tryptophan|5-hydroxytryptophan L-form|Cincofarm|L-5-hydroxytryptophan|Levothym|Oxitriptan|Tript-OH|oxitriptan http://purl.obolibrary.org/obo/CHEBI_17780 3_STAR
CHEBI:17781 biolink:ChemicalSubstance lumichrome A compound showing blue fluorescence, formed by a photolysis of riboflavin in acid or neutral solution. CAS:1086-80-2|DrugBank:DB04345|KEGG:C01727|KNApSAcK:C00030694|MetaCyc:CPD-605|PDBeChem:LUM|PMID:15819908|PMID:21126007|PMID:22953948|PMID:24001807|PMID:24451190|PMID:24643482|Reaxys:226631 phenio.json 7,8-Dimethylalloxazine|7,8-dimethylbenzo[g]pteridine-2,4(1H,3H)-dione|LUMICHROME|Lumichrome|lumichrome http://purl.obolibrary.org/obo/CHEBI_17781 3_STAR
CHEBI:17782 biolink:ChemicalSubstance 5-dehydro-4-deoxy-D-glucuronic acid A hexuronic acid that results from hydrolytic ring cleavage of the hemiacetal group of 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid with subsequent tautomerisation of the resulting enol to the corresponding ketone. KEGG:C04053|PMID:10441389|PMID:15148314|PMID:16630576|PMID:16893885|PMID:19416976|PMID:21147778 phenio.json 4-deoxy-L-threo-5-hexulosuronic acid|4-deoxy-L-threo-hex-5-ulosuronic acid http://purl.obolibrary.org/obo/CHEBI_17782 3_STAR
CHEBI:177824 biolink:ChemicalSubstance terameprocol CAS:24150-24-1|Chemspider:418597|DrugBank:DB12226|KEGG:D09014 phenio.json 4-[(2S,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene http://purl.obolibrary.org/obo/CHEBI_177824 2_STAR
CHEBI:177833 biolink:ChemicalSubstance cilengitide CAS:188968-51-6|Chemspider:154046|DrugBank:DB11890|KEGG:D03497|LINCS:LSM-45233 phenio.json 2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid http://purl.obolibrary.org/obo/CHEBI_177833 2_STAR
CHEBI:17784 biolink:ChemicalSubstance 2-amino-2-deoxy-D-gluconic acid Hexanoic acid with four hydroxy groups at C-3, C-4, C-5, C-6, and an amino group at C-2. CAS:3646-68-2|KEGG:C03752|MetaCyc:GLUCOSAMINATE|PMID:10380620|PMID:22735334|PMID:23836865|PMID:7068563|Reaxys:1726033 phenio.json (3R,4S,5R)-3,4,5,6-tetrahydroxy-D-norleucine|2-Amino-2-deoxy-D-gluconate|2-amino-2-deoxy-D-gluconic acid|D-Glucosaminate|D-Glucosaminic acid|D-glucosaminate|Glucosaminate http://purl.obolibrary.org/obo/CHEBI_17784 3_STAR
CHEBI:177844 biolink:ChemicalSubstance avitriptan CAS:151140-96-4|Chemspider:117442 phenio.json 1-[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]-N-methylmethanesulonamide http://purl.obolibrary.org/obo/CHEBI_177844 2_STAR
CHEBI:17786 biolink:ChemicalSubstance N-acetyl-L-leucine The N-acetyl derivative of L-leucine. CAS:1188-21-2|Chemspider:1918|Gmelin:985259|HMDB:HMDB0011756|KEGG:C02710|LINCS:LSM-20975|MetaCyc:CPD-433|PMID:21185819|PMID:22227165|PMID:22770225|PMID:3473611|Reaxys:1724849|Wikipedia:Acetylleucine phenio.json (2S)-2-(acetylamino)-4-methylpentanoic acid|N-Acetyl-L-leucine|N-acetyl-L-leucine|N-acetyl-Leu|N-acetylleucine|acetylleucine http://purl.obolibrary.org/obo/CHEBI_17786 3_STAR
CHEBI:177869 biolink:ChemicalSubstance indole-5,6-quinone-2-carboxylate An indolecarboxylate that is the conjugate base of indole-5,6-quinone-2-carboxylic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3. MetaCyc:CPD-12374|PMID:7813420|PMID:8027058 phenio.json 5,6-bis(oxidanylidene)-1H-indole-2-carboxylate|5,6-diketo-1H-indole-2-carboxylate|5,6-dioxo-1H-indole-2-carboxylate|5,6-dioxo-5,6-dihydro-1H-indole-2-carboxylate|5,6-indolequinone-2-carboxylate|indole-5,6-quinone-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_177869 3_STAR
CHEBI:17789 biolink:ChemicalSubstance dihydrochelirubine A benzophenanthridine alkaloid that is dihydrosanguinarine bearing a methoxy substituent at position 10. AGR:IND43865777|CAS:28342-26-9|KEGG:C05194|KNApSAcK:C00024643|PMID:17077972|PMID:20686258|PMID:2213031|Reaxys:630924 phenio.json 13,14-Dihydro-5-methoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine|5-methoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine|Dihydrochelirubine|dihydrochelirubine http://purl.obolibrary.org/obo/CHEBI_17789 3_STAR
CHEBI:177898 biolink:ChemicalSubstance omega-carboxy-(fatty acyl)-CoA(5-) An acyl-CoA oxoanion obtained by deprotonation of the phosphate, diphosphate and carboxy groups of any omega-carboxy-(fatty acyl)-CoA; major species at pH 7.3. phenio.json an omega-carboxy-(fatty acyl)-CoA http://purl.obolibrary.org/obo/CHEBI_177898 2_STAR
CHEBI:17790 biolink:ChemicalSubstance methanol The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. CAS:67-56-1|Gmelin:449|HMDB:HMDB0001875|KEGG:C00132|KEGG:D02309|MetaCyc:METOH|PDBeChem:MOH|PMID:11141607|PMID:11430978|PMID:11489599|PMID:11680737|PMID:11684179|PMID:14012711|PMID:14678513|PMID:14760634|PMID:15172721|PMID:15906011|PMID:16705261|PMID:17451998|PMID:17733096|PMID:19064074|PMID:19850112|PMID:20314698|Reaxys:1098229|UM-BBD_compID:c0132|Wikipedia:Methanol phenio.json CH3OH|METHANOL|MeOH|Methanol|Methyl alcohol|Methylalkohol|carbinol|methanol|spirit of wood|wood alcohol|wood naphtha|wood spirit http://purl.obolibrary.org/obo/CHEBI_17790 3_STAR
CHEBI:17791 biolink:ChemicalSubstance obtusifoliol CAS:16910-32-0|FooDB:FDB004683|HMDB:HMDB0001242|KEGG:C01943|KNApSAcK:C00007368|LIPID_MAPS_instance:LMST01030101|MetaCyc:OBTUSIFOLIOL|PMID:11437378|PMID:27474490|PMID:27534104|PMID:32560825|PMID:33371196|PMID:34904497|PMID:35975452|PMID:36069327|PMID:8955137|PMID:9076987|Wikipedia:Obtusifoliol phenio.json (+)-obtusifoliol|(3beta,4alpha,5alpha)-4,14-dimethylergosta-8,24(28)-dien-3-ol|4alpha,14-dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol|4alpha,14alpha-Dimethyl-24-methylene-5alpha-cholesta-8-en-3beta-ol|4alpha,14alpha-Dimethyl-5alpha-ergosta-8,24(28)-dien-3beta-ol|4alpha,14alpha-dimethyl-24-methylene-cholest-8-en-3beta-ol|4alpha,14alpha-dimethyl-Delta(8,24(28))-ergostadien-3beta-ol|obtusifoliol http://purl.obolibrary.org/obo/CHEBI_17791 3_STAR
CHEBI:177917 biolink:ChemicalSubstance phenolic steroid KEGG:C02453|MetaCyc:PHENOLIC-STEROID|PMID:13752799|PMID:4303459|PMID:4622133|PMID:4753431|PMID:4798212|PMID:4957953|PMID:5790329|PMID:6078089 phenio.json a phenolic steroid|phenolic steroids http://purl.obolibrary.org/obo/CHEBI_177917 3_STAR
CHEBI:177918 biolink:ChemicalSubstance phenolic steroid 3-O-sulfate(1-) KEGG:C02590|MetaCyc:STEROID-O-SULFATE phenio.json a phenolic steroid 3-O-sulfate http://purl.obolibrary.org/obo/CHEBI_177918 2_STAR
CHEBI:17792 biolink:ChemicalSubstance organohalogen compound A compound containing at least one carbon-halogen bond (where X is a halogen atom). KEGG:C01322|MetaCyc:Organohalogen-Compounds phenio.json RX|organic halide|organic halides|organohalogen compounds http://purl.obolibrary.org/obo/CHEBI_17792 3_STAR
CHEBI:17793 biolink:ChemicalSubstance calycosin A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at the 3' position and a methoxy group at the 4' position. CAS:20575-57-9|KEGG:C01562|KNApSAcK:C00009389|LIPID_MAPS_instance:LMPK12050056|PMID:11025148|PMID:16286304|PMID:16441066|PMID:17253088|Patent:CN102030735|Patent:KR20080079237|Patent:WO2009129260|Reaxys:1292488|Wikipedia:Calycosin phenio.json 3'-hydroxy-formononetin|7,3'-dihydroxy-4'-methoxyisoflavone|7-Hydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one|7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one|7-hydroxy-3-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one|Calycosin http://purl.obolibrary.org/obo/CHEBI_17793 3_STAR
CHEBI:17794 biolink:ChemicalSubstance 3-phospho-D-glyceric acid The D-enantiomer of 3-phosphoglyceric acid KEGG:C00197|KNApSAcK:C00019551|MetaCyc:G3P|PDBeChem:3PG|Wikipedia:3-Phosphoglyceric_acid phenio.json (2R)-2-hydroxy-3-(phosphonooxy)propanoic acid|3-Phospho-(R)-glycerate|3-Phospho-D-glycerate|3-Phosphoglycerate|3-phospho-D-glycerate|D-Glycerate 3-phosphate|D-glycerate 3-phosphate http://purl.obolibrary.org/obo/CHEBI_17794 3_STAR
CHEBI:17795 biolink:ChemicalSubstance dihydroxyfumarate(2-) A C4-dicarboxylate resuting from deprotonation of both carboxy groups of dihydroxyfumaric acid. KEGG:C00975 phenio.json (2E)-2,3-dihydroxybut-2-enedioate|dihydroxyfumarate http://purl.obolibrary.org/obo/CHEBI_17795 3_STAR
CHEBI:17796 biolink:ChemicalSubstance L-idonate An optically active form of idonate having L-configuration; major species at pH 7.3. Beilstein:3906522|CAS:1114-17-6|KEGG:C00770|MetaCyc:L-IDONATE phenio.json L-Idonate|L-idonate http://purl.obolibrary.org/obo/CHEBI_17796 3_STAR
CHEBI:17797 biolink:ChemicalSubstance aldehydo-D-ribose 5-phosphate The acyclic form of D-ribose 5-phosphate. CAS:4151-19-3|CAS:4300-28-1|CAS:62746-84-3|DrugBank:DB02053|KEGG:C00117|MetaCyc:RIBOSE-5P|Reaxys:1728061|Wikipedia:D-ribose_5-phosphate phenio.json 5-O-phosphono-D-ribose|D-Ribose 5-phosphate|D-ribose 5-(dihydrogen phosphate)|Ribose 5-phosphate http://purl.obolibrary.org/obo/CHEBI_17797 3_STAR
CHEBI:17798 biolink:ChemicalSubstance L-gamma-glutamyl phosphate KEGG:C03287 phenio.json (2S)-2-amino-5-oxo-5-(phosphonooxy)pentanoic acid|5-oxo-5-(phosphonooxy)-L-norvaline|L-Glutamate 5-phosphate|L-Glutamyl 5-phosphate|L-gamma-glutamyl dihydrogen phosphate|L-glutam-5-yl phosphate http://purl.obolibrary.org/obo/CHEBI_17798 3_STAR
CHEBI:17799 biolink:ChemicalSubstance 2-methyl-DL-serine A racemate comprising equimolar amounts of 2-methyl-D-serine and 2-methyl-L-serine. CAS:5424-29-3|KEGG:C02115|MetaCyc:CPD-390|PMID:18952881|PMID:19924838|PMID:2503059|PMID:33382|PMID:8988636|PMID:9028042|Reaxys:1721693 phenio.json 2-Methylserine|2-methyl-DL-serine|DL-2-methylserine|alpha-methyl-DL-serine|rac-2-amino-2-methyl-3-hydroxypropanoic acid|rac-2-amino-2-methyl-3-hydroxypropionic acid|rac-2-amino-3-hydroxy-2-methylpropanoic acid|rac-2-amino-3-hydroxy-2-methylpropionic acid|rac-2-methylserine|rac-alpha-MeSer http://purl.obolibrary.org/obo/CHEBI_17799 3_STAR
CHEBI:17800 biolink:ChemicalSubstance O-phosphoviomycin A derivative of viomycin having a phospho group attached to the side-chain OH group of one of the serine residues. KEGG:C02574 phenio.json O-Phosphoviomycin|[(2S,5S,8Z,11S,15S)-8-[(carbamoylamino)methylene]-15-{[(3S)-3,6-diaminohexanoyl]amino}-11-[(4R,6S)-6-hydroxy-2-iminohexahydropyrimidin-4-yl]-5-(hydroxymethyl)-3,6,9,12,16-pentaoxo-1,4,7,10,13-pentaazacyclohexadecan-2-yl]methyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_17800 3_STAR
CHEBI:17802 biolink:ChemicalSubstance pseudouridine A C-glycosyl pyrimidine that consists of uracil having a beta-D-ribofuranosyl residue attached at position 5. The C-glycosyl isomer of the nucleoside uridine. Beilstein:32779|CAS:1445-07-4|HMDB:HMDB0000767|KEGG:C02067|KNApSAcK:C00001508|MetaCyc:CPD-497|PMID:12810910|PMID:13811056|PMID:15199136|PMID:15739475|PMID:16236171|PMID:18620915|PMID:21628430|PMID:21953190|PMID:21960742|PMID:22770225|Reaxys:621385|Wikipedia:Pseudouridine phenio.json (1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol|5-(beta-D-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione|5-(beta-D-ribofuranosyl)uracil|Pseudouridine|Psi-uridine|beta-Pseudouridine|p|pseudouridine http://purl.obolibrary.org/obo/CHEBI_17802 3_STAR
CHEBI:178020 biolink:ChemicalSubstance bongkrekate(3-) A tricarboxylic acid anion resulting from the deprotonation of the three carboxy groups of bongkrekic acid; major species at pH 7.3. MetaCyc:CPD-21066 phenio.json (2E,4Z,6R,8Z,10E,14E,17S,18E,20Z)-20-(carboxylatomethyl)-6-methoxy-2,5,17-trimethyldocosa-2,4,8,10,14,18,20-heptaenedioate|bongkrekate|bongkrekic acid trianion|bongkrekic acid(3-) http://purl.obolibrary.org/obo/CHEBI_178020 3_STAR
CHEBI:178021 biolink:ChemicalSubstance galanthamine(1+) A tertiary ammonium ion that is conjugate acid of galanthamine resulting from the protonation of the tertiary amino group; major species at pH 7.3. phenio.json (-)-galanthamine(1+)|(4aS,6R,8aS)-6-hydroxy-3-methoxy-11-methyl-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11-ium|galanthamine|galanthamine cation http://purl.obolibrary.org/obo/CHEBI_178021 3_STAR
CHEBI:17803 biolink:ChemicalSubstance dehydro-D-arabinono-1,4-lactone A gamma-lactone that is 5-(hydroxymethyl)furan-2(5H)-one substituted at positions 3 and 4 by hydroxy groups (the 5R-stereoisomer). AGR:IND20363771|AGR:IND20401001|KEGG:C06316|MetaCyc:CPD-1789|PMID:10094636|PMID:10508108|PMID:11349062|PMID:15809004|PMID:17151466|PMID:18282465|PMID:19412602|PMID:20403425|PMID:20815349|PMID:21369982|PMID:25957768|PMID:7612007|Patent:WO9529928|Reaxys:82335 phenio.json (5R)-3,4-Dihydroxy-5-(hydroxymethyl)furan-2(5H)-one|(5R)-3,4-dihydroxy-5-(hydroxymethyl)furan-2(5H)-one|D-erythroascorbic acid|D-glycero-2-pentenono-l,4-lactone http://purl.obolibrary.org/obo/CHEBI_17803 3_STAR
CHEBI:17804 biolink:ChemicalSubstance dyspropterin A tetrahydropterin that is 2-amino-5,6,7,8-tetrahydropteridin-4(3H)-one substituted by a 2-oxopropanoyl group at position 6. CAS:89687-39-8|HMDB:HMDB0001195|KEGG:C03684|MetaCyc:6-PYRUVOYL-5678-TETRAHYDROPTERIN|PMID:3888282 phenio.json 1-(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)propane-1,2-dione|6-(1,2-Dioxopropyl)-5,6,7,8-tetrahydropterin|6-(1,2-dioxopropyl)-5,6,7,8-tetrahydropterin|6-Pyruvoyl-5,6,7,8-tetrahydropterin|6-Pyruvoyltetrahydropterin|6-pyruvoyl-5,6,7,8-tetrahydropterin http://purl.obolibrary.org/obo/CHEBI_17804 3_STAR
CHEBI:17805 biolink:ChemicalSubstance D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate KEGG:C04666|KNApSAcK:C00007478 phenio.json (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propyl dihydrogen phosphate|D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate|D-erythro-Imidazole-glycerol 3-phosphate|D-erythro-Imidazole-glycerol phosphate http://purl.obolibrary.org/obo/CHEBI_17805 3_STAR
CHEBI:178051 biolink:ChemicalSubstance a carboxymycobactin(1-) phenio.json a carboxymycobactin http://purl.obolibrary.org/obo/CHEBI_178051 2_STAR
CHEBI:178058 biolink:ChemicalSubstance alpha-ketoglutarate-13C4 phenio.json 2-oxo(1,2,3,4-13C4)pentanedioate http://purl.obolibrary.org/obo/CHEBI_178058 2_STAR
CHEBI:17806 biolink:ChemicalSubstance N-acetyl-beta-D-galactosaminyl group The glycosyl group obtained by removing the hydroxy group from the hemiacetal function of N-acetyl-beta-D-galactosamine. PMID:26014598|PMID:28701697 phenio.json 2-acetamido-2-deoxy-beta-D-galactopyranosyl|2-acetamido-2-deoxy-beta-D-galactopyranosyl group|N-Acetyl-D-galactosaminyl-R|N-acetyl-beta-D-galactosaminyl group|NAc-beta-1,4-galactose|beta-GalNAc-R http://purl.obolibrary.org/obo/CHEBI_17806 3_STAR
CHEBI:17807 biolink:ChemicalSubstance 3-(3,4-dihydroxyphenyl)lactic acid KEGG:C01207 phenio.json 3-(3,4-Dihydroxyphenyl)lactate|3-(3,4-dihydroxyphenyl)-2-hydroxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_17807 3_STAR
CHEBI:17808 biolink:ChemicalSubstance IDP A purine ribonucleoside 5'-diphosphate having inosine as the nucleobase. CAS:86-04-4|ECMDB:ECMDB03335|HMDB:HMDB0003335|KEGG:C00104|MetaCyc:IDP|PDBeChem:IDP|PMID:14389294|PMID:16668340|PMID:19561621|PMID:22673202|Reaxys:634026|YMDB:YMDB00910 phenio.json 2'-inosine-5'-diphosphate|IDP|INOSINE-5'-DIPHOSPHATE|Inosine 5'-diphosphate|Inosine 5'-pyrophosphate|Inosine diphosphate|inosine 5'-(trihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_17808 3_STAR
CHEBI:178083 biolink:ChemicalSubstance alpha-ketoglutaric acid-13C4 phenio.json http://purl.obolibrary.org/obo/CHEBI_178083 2_STAR
CHEBI:17810 biolink:ChemicalSubstance 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine A glycero-3-phosphocholine compound having an alk-1-enyl substituent at the 1-position and an acyl substituent at the 2-position. KEGG:C00958 phenio.json 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphocholine|1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphocholines|1-Alkenyl-2-acyl-sn-glycero-3-phosphocholine|1-Alkenyl-2-acylglycerophosphocholine|1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholine|1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phosphocholines|2-Acyl-1-(1-alkenyl)-sn-glycero-3-phosphocholine|Choline plasmalogen|Plasmenylcholine http://purl.obolibrary.org/obo/CHEBI_17810 3_STAR
CHEBI:17811 biolink:ChemicalSubstance myo-2-inosose CAS:488-64-2|KEGG:C00691 phenio.json 2,4,6/3,5-Pentahydroxycyclohexanone|2,4,6/3,5-pentahydroxycyclohexanone|2-Inosose|2-inosose|myo-inosose-2|scyllo-1-inosose|scyllo-inosose http://purl.obolibrary.org/obo/CHEBI_17811 3_STAR
CHEBI:17813 biolink:ChemicalSubstance 4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol CAS:64284-64-6|KEGG:C11455|LIPID_MAPS_instance:LMST01010149 phenio.json 4,4-Dimechol-8,14,24-trienol|4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol|4,4-Dimethylcholesta-8,14,24-trienol|4,4-dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol|4,4-dimethylcholesta-8(9),14,24-trien-3beta-ol http://purl.obolibrary.org/obo/CHEBI_17813 3_STAR
CHEBI:178134 biolink:ChemicalSubstance 4-Carboxyphenylglycine CAS:7292-81-1|Chemspider:4934|HMDB:HMDB0002016 phenio.json 4-[amino(carboxy)methyl]benzoic acid http://purl.obolibrary.org/obo/CHEBI_178134 2_STAR
CHEBI:17814 biolink:ChemicalSubstance salicin An aryl beta-D-glucoside that is salicyl alcohol in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue. CAS:138-52-3|KEGG:C01451|KNApSAcK:C00002672|LINCS:LSM-3442|PMID:12221594|PMID:20883292|PMID:21226125|PMID:21449910|Reaxys:89593|Wikipedia:Salicin phenio.json 2(hydroxymethyl)phenyl-beta-D-glucopyranoside|2-(hydroxymethyl)phenyl beta-D-glucopyranoside|2-(hydroxymethyl)phenyl-O-beta-D-glucopyranoside|2-(hydroxymethyl)phenyl-beta-D-glucopyranoside|D-(-)-salicin|Salicin|Salicoside|o-(hydroxymethyl)phenyl beta-D-glucopyranoside|salicin|salicyl alcohol glucoside|saligenin beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_17814 3_STAR
CHEBI:178143 biolink:ChemicalSubstance Chalcomoracin Chemspider:384495|HMDB:HMDB0030069 phenio.json [2-[2,6-dihydroxy-4-(6-hydroxy-1-benzouran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone http://purl.obolibrary.org/obo/CHEBI_178143 2_STAR
CHEBI:17815 biolink:ChemicalSubstance 1,2-diacyl-sn-glycerol KEGG:C00641|LIPID_MAPS_instance:LMGL02010000 phenio.json 1,2-Diacyl-sn-glycerol|1,2-Diacylglycerol|1,2-diacyl-sn-glycerols|D-1,2-Diacylglycerol|L-1,2-Diacylglycerol|a 1,2-diacyl-sn-glycerol http://purl.obolibrary.org/obo/CHEBI_17815 3_STAR
CHEBI:17816 biolink:ChemicalSubstance 1D-myo-inositol 1,4-bisphosphate Beilstein:3628157|CAS:47055-78-7|CAS:74465-19-3|DrugBank:DB03158|KEGG:C01220|KNApSAcK:C00007484|PDBeChem:2IP phenio.json 1D-myo-Inositol 1,4-bisphosphate|1D-myo-inositol 1,4-bis(dihydrogen phosphate)|D-MYO-INOSITOL-1,4-BISPHOSPHATE|D-myo-Inositol 1,4-bisphosphate|Inositol 1,4-bisphosphate|myo-Inositol 1,4-bisphosphate|myo-inositol 1,4-bisphosphate http://purl.obolibrary.org/obo/CHEBI_17816 3_STAR
CHEBI:17818 biolink:ChemicalSubstance N-feruloyltyramine CAS:65646-26-6|CAS:66648-43-9|KEGG:C02717|KNApSAcK:C00000660 phenio.json (2E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide|Moupinamide|N-Feruloyltyramine|N-[(E)-feruloyl]tyramine|trans-N-Feruloyltyramine http://purl.obolibrary.org/obo/CHEBI_17818 3_STAR
CHEBI:178184 biolink:ChemicalSubstance Silidianin CAS:29782-68-1|Chemspider:10154881|HMDB:HMDB0030584 phenio.json 3-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-8-(3,5,7-trihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-4-oxatricyclo[4.3.1.03,7]decan-2-one http://purl.obolibrary.org/obo/CHEBI_178184 2_STAR
CHEBI:178193 biolink:ChemicalSubstance L-lanthionine dizwitterion An L-alpha-amino acid zwitterion that is the dizwitterionic form of L-lanthionine obtained by migration of protons from both carboxy groups to the amino groups; major species at pH 7.3. MetaCyc:CPD-3736|PMID:19261609 phenio.json (2R,2'R)-3,3'-sulfanediylbis(2-azaniumylpropanoate)|3,3'-thiobis-L-alanine dizwitterion|3,3'-thiodi-L-alanine dizwitterion|L-lanthionine|L-lanthionine zwitterion|beta,beta'-thiodi-L-alanine dizwitterion http://purl.obolibrary.org/obo/CHEBI_178193 3_STAR
CHEBI:178194 biolink:ChemicalSubstance L-homolanthionine dizwitterion An L-alpha-amino acid zwitterion that is the dizwitterionic form of L-homolanthionine obtained by migration of protons from both carboxy groups to the amino groups; major species at pH 7.3. MetaCyc:CPD66-96|PMID:19261609 phenio.json (2S,2'S)-4,4'-sulfanediylbis(2-azaniumylbutanoate)|L-homolanthionine|L-homolanthionine zwitterion|homolanthionine dizwitterion http://purl.obolibrary.org/obo/CHEBI_178194 3_STAR
CHEBI:178199 biolink:ChemicalSubstance sotorasib A pyridopyrimidine that is pyrido[2,3-d]pyrimidin-2(1H)-one substituted by 4-methyl-2-(propan-2-yl)pyridin-3-yl, (2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl, fluoro and 2-fluoro-6-hydroxyphenyl groups at positions 1, 4, 6 and 7, respectively. It is approved for the treatment of patients with non-small cell lung cancer having KRAS(G12C) mutations. CAS:2296729-00-3|Chemspider:72380148|DrugBank:DB15569|KEGG:D12055|PMID:31189530|PMID:31666701|PMID:31820981|PMID:32540954|PMID:32686745|PMID:32955176|PMID:33283304|PMID:33466360|PMID:33547148|PMID:33957355|PMID:33971321|PMID:34004237|PMID:34043291|PMID:34094546|PMID:34096690|PMID:34137282|PMID:34140669|PMID:34144959|PMID:34158284|PMID:34219153|PMID:34301758|PMID:34357500|PMID:34359807|Wikipedia:Sotorasib phenio.json 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[4-methyl-2-(propan-2-yl)pyridin-3-yl]-4-[(2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-2(1H)-one|AMG 510|AMG-510|AMG510|Lumakras|sotorasib|sotorasibum http://purl.obolibrary.org/obo/CHEBI_178199 3_STAR
CHEBI:17820 biolink:ChemicalSubstance 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid Penta-2,4-dienoic acid in which the hydrogen at position 2 is substituted by hydroxy and one of the hydrogens at position 5 is substituted by a benzoyl group. It is a metabolic product of biphenyl from Pseudomonas putida. Beilstein:2723676|CAS:50480-67-6|KEGG:C01273|UM-BBD_compID:c0374 phenio.json 2,6-Dioxo-6-phenylhexa-3-enoate|2-Hydroxy-6-oxo-6-phenylhexa-2,4-dienoate|2-hydroxy-6-oxo-6-phenyl-2,4-hexadienoic acid|2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid|HDPA|HOPDA http://purl.obolibrary.org/obo/CHEBI_17820 3_STAR
CHEBI:17821 biolink:ChemicalSubstance thymine A pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group. Beilstein:607626|CAS:65-71-4|DrugBank:DB03462|Gmelin:278790|KEGG:C00178|KNApSAcK:C00001511|PDBeChem:TDR|PMID:23237383|Wikipedia:Thymine phenio.json 2,4-dihydroxy-5-methylpyrimidine|5-Methyluracil|5-methyl-2,4(1H,3H)-pyrimidinedione|5-methylpyrimidine-2,4(1H,3H)-dione|5-methyluracil|T|THYMINE|Thy|Thymin|Thymine|thymine http://purl.obolibrary.org/obo/CHEBI_17821 3_STAR
CHEBI:17822 biolink:ChemicalSubstance serine An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group. CAS:302-84-1|Gmelin:26429|KEGG:C00716|KNApSAcK:C00001393|Reaxys:1721402|Wikipedia:Serine phenio.json 2-Amino-3-hydroxypropionic acid|2-amino-3-hydroxypropanoic acid|3-Hydroxyalanine|Serin|Serine|serine http://purl.obolibrary.org/obo/CHEBI_17822 3_STAR
CHEBI:17823 biolink:ChemicalSubstance calcitriol A hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation in the liver to form calcidiol, which is subsequently oxidised in the kidney to give calcitriol. CAS:32222-06-3|DrugBank:DB00136|Drug_Central:466|KEGG:C01673|KEGG:D00129|LIPID_MAPS_instance:LMST03020258|MetaCyc:CALCITRIOL|PDBeChem:VDX|PMID:10217585|PMID:15928596|PMID:19429426|PMID:20599255|PMID:22905919|PMID:23103122|PMID:23144765|PMID:6687801|Reaxys:2227647|Wikipedia:Calcitriol phenio.json (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol|(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol|(1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol|(5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol|1,25-DHCC|1-alpha-25-Dihydroxyvitamin D3|1alpha,25(OH)2D3|1alpha,25-dihydroxycholecalciferol|1alpha,25-dihydroxyvitamin D3|5-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANE-1,3-DIOL|Calcijex|Calcitriol|Decostriol|Rocaltrol|calcitriol|calcitriolum http://purl.obolibrary.org/obo/CHEBI_17823 3_STAR
CHEBI:17824 biolink:ChemicalSubstance propan-2-ol A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group. CAS:67-63-0|DrugBank:DB04402|Drug_Central:4215|Gmelin:1464|HMDB:HMDB0000863|KEGG:C01845|KEGG:D00137|KNApSAcK:C00048438|MetaCyc:ISO-PROPANOL|PDBeChem:IPA|PMID:24524727|PMID:24653974|Reaxys:635639|UM-BBD_compID:c0519|Wikipedia:Isopropyl_Alcohol|YMDB:YMDB01718 phenio.json 1-methylethanol|1-methylethyl alcohol|2-Propanol|2-hydroxypropane|IPA|ISOPROPYL ALCOHOL|Isopropanol|Isopropyl alcohol|Isopropylalkohol|Propan-2-ol|i-Propylalkohol|i-propanol|isopropyl alcohol|propan-2-ol|sec-propanol http://purl.obolibrary.org/obo/CHEBI_17824 3_STAR
CHEBI:17825 biolink:ChemicalSubstance 7-methylguanosine 5'-phosphate(1+) HMDB:HMDB0059612|KEGG:C03998|PDBeChem:G7M phenio.json 7-Methylguanosine 5'-phosphate|7-methyl-5'-guanylic acid|7-methylguanosine 5'-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17825 3_STAR
CHEBI:17826 biolink:ChemicalSubstance methylarsonous acid A one-carbon compound that is arsonous acid in which the hydrogen attached to arsenic is replaced by a methyl group. CAS:25400-23-1|FooDB:FDB028898|HMDB:HMDB0012259|KEGG:C07295|MetaCyc:METHYLARSONITE|PDBeChem:6OL|PMID:10698679|PMID:16581540|PMID:18701095|PMID:19095002|PMID:21193388|PMID:22398986|PMID:23891734|PMID:24091636|PMID:24625837|PMID:24915088|PMID:25092648|PMID:26554712|PMID:27327130|PMID:34274428|Reaxys:2231128|UM-BBD_compID:c0772 phenio.json MMA(III)|MMAIII|MeAs(OH)2|Methanearsonous acid|Methylarsonite|Methylarsonous acid|Mma(III)|Monomethylarsonous acid|methylarsonous acid|monomethylarsenous acid http://purl.obolibrary.org/obo/CHEBI_17826 3_STAR
CHEBI:17827 biolink:ChemicalSubstance methyl-CoM Beilstein:1754074|CAS:53501-90-9|KEGG:C03920|KNApSAcK:C00000762|UM-BBD_compID:c0353 phenio.json 2-(Methylthio)ethanesulfonate|2-(methylsulfanyl)ethanesulfonic acid|2-(methylthio)ethanesulfonic acid|Methyl CoM|Methylcoenzym M|Methylcoenzyme M|methyl coenzyme M|methyl-coenzyme M|metilcoenzima M http://purl.obolibrary.org/obo/CHEBI_17827 3_STAR
CHEBI:17828 biolink:ChemicalSubstance 2,3-dihydroxyindole KEGG:C02775 phenio.json 1H-indole-2,3-diol|2,3-Dihydroxyindole|2,3-dihydroxyindole|Dihydroxyindole http://purl.obolibrary.org/obo/CHEBI_17828 3_STAR
CHEBI:17830 biolink:ChemicalSubstance 7,8-diaminononanoate KEGG:C01037 phenio.json 7,8-diaminononanoate http://purl.obolibrary.org/obo/CHEBI_17830 3_STAR
CHEBI:17831 biolink:ChemicalSubstance heparosan-N-sulfate D-glucuronic acid A heparan sulfate composed of a backbone of repeating beta-D-glucuronosyl-(1->4)-N-sulfonyl-alpha-D-glucosamine units joined by (1->4)-linkages. KEGG:C04196|PMID:16860191 phenio.json Heparosan-N-sulfate D-glucuronate|[4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS-(1->]n|[4)-beta-D-GlcpA-(1->4)-alpha-D-GlcpNS-(1->]n|poly[(1->4)-(beta-D-glucopyranosyluronic acid)-(1->4)-2-deoxy-2-sulfoamino-alpha-D-glucopyranosyl]|poly[(1->4)-beta-D-glucuronosyl-(1->4)-N-sulfo-alpha-D-glucosaminyl] http://purl.obolibrary.org/obo/CHEBI_17831 3_STAR
CHEBI:17832 biolink:ChemicalSubstance 1-O-(alk-1-enyl)-sn-glycero-3-phosphocholine An sn-glycero-3-phosphocholine substituted at the 1-oxygen by an alk-1-enyl group. KEGG:C04517|MetaCyc:CPD-563 phenio.json 1-(1-Alkenyl)-sn-glycero-3-phosphocholine|1-Alkenyl-sn-glycero-3-phosphocholine|1-Alkenylglycerophosphocholine|1-O-(alk-1-enyl)-sn-glycero-3-phosphocholine|1-O-Alk-1-enyl-glycero-3-phosphocholine http://purl.obolibrary.org/obo/CHEBI_17832 3_STAR
CHEBI:17833 biolink:ChemicalSubstance gentamycin Any of a group of aminoglycoside antibiotics produced by fermentation of some Micromonospora spp. CAS:1403-66-3|DrugBank:DB00798|KEGG:C00505 phenio.json 4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)pentopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)heptopyranoside|Gentamicin|gentamycins http://purl.obolibrary.org/obo/CHEBI_17833 3_STAR
CHEBI:17835 biolink:ChemicalSubstance 2-phospho-D-glyceric acid A 2-phosphoglyceric acid in which the glyceric acid moiety has D (R) configuration. DrugBank:DB03465|HMDB:HMDB0003391|KEGG:C00631|KNApSAcK:C00000123|MetaCyc:2-PG|PDBeChem:2PG|PMID:15299448|PMID:22750626|PMID:24430205|Reaxys:1726823 phenio.json (2R)-3-hydroxy-2-(phosphonooxy)propanoic acid|2-PHOSPHOGLYCERIC ACID|2-Phospho-D-glycerate|2-phospho-D-glycerate|D-Glycerate 2-phosphate|D-glycerate 2-phosphate http://purl.obolibrary.org/obo/CHEBI_17835 3_STAR
CHEBI:17836 biolink:ChemicalSubstance 4-aminobenzoate An aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid. CAS:2906-28-7|Gmelin:82609|KEGG:C00568|Reaxys:3904778|UM-BBD_compID:c0550 phenio.json 4-aminobenzoate|4-aminobenzoic acid, ion(1-)|p-aminobenzoate http://purl.obolibrary.org/obo/CHEBI_17836 3_STAR
CHEBI:17837 biolink:ChemicalSubstance D-tagatose 6-phosphate phenio.json 6-O-phosphono-D-lyxo-hex-2-ulose|6-O-phosphono-D-tagatose|D-lyxo-hex-2-ulose 6-(dihydrogen phosphate)|D-tagatose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17837 3_STAR
CHEBI:17838 biolink:ChemicalSubstance (3S)-3-hydroxy-L-aspartate(2-) phenio.json (2S,3S)-2-amino-3-hydroxybutanedioate|(3S)-3-hydroxy-L-aspartate http://purl.obolibrary.org/obo/CHEBI_17838 3_STAR
CHEBI:17839 biolink:ChemicalSubstance 7,8-dihydropteroate A pteroate that is the conjugate base of 7,8-dihydropteroic acid, arising from deprotonation of the carboxy group. KEGG:C00921|MetaCyc:7-8-DIHYDROPTEROATE|PMID:9118956 phenio.json 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoate|7,8-dihydropteroate http://purl.obolibrary.org/obo/CHEBI_17839 3_STAR
CHEBI:1784 biolink:ChemicalSubstance biphenyl-4-amine An aminobiphenyl that is biphenyl substituted by an amino group at position 4. CAS:92-67-1|Gmelin:365629|HMDB:HMDB0013195|KEGG:C10998|PMID:12778203|PMID:15880493|PMID:20433335|PMID:841184|PMID:8847111|Reaxys:386533|Wikipedia:4-Aminobiphenyl phenio.json 4-Aminobiphenyl|4-amino-1,1'-biphenyl|4-aminodiphenyl|4-biphenylamine|[1,1'-biphenyl]-4-amine|biphenyl-4-ylamine|p-aminodiphenyl|p-biphenylamine|p-phenylaniline|p-xenylamine|paraaminodiphenyl http://purl.obolibrary.org/obo/CHEBI_1784 3_STAR
CHEBI:17840 biolink:ChemicalSubstance indoxyl A member of the class of hydroxyindoles that is 1H-indole substituted by a hydroxy group at position 3. CAS:480-93-3|KEGG:C05658|Reaxys:3028 phenio.json 1H-indol-3-ol|Indoxyl|indoxyl http://purl.obolibrary.org/obo/CHEBI_17840 3_STAR
CHEBI:17842 biolink:ChemicalSubstance trypanothione Beilstein:6559471|CAS:96304-42-6|DrugBank:DB03470|KEGG:C02090|PDBeChem:GCG phenio.json (2S,7R,26R,31S)-2,31-diamino-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid|(2S,7R,26R,31S)-2,31-diamino-7,26-bis(mercaptomethyl)-5,8,11,22,25,28-hexaoxo-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid|BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE|N1,N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine|N1,N8-Bis(glutathionyl)spermidine|N1,N8-Bis-(gamma-L-glutamyl-L-cysteinyl-glycyl)-spermidine|N1,N8-Bis-(glutathionyl)spermidine|Reduced trypanothione|TSH|Trypanothion|Trypanothione http://purl.obolibrary.org/obo/CHEBI_17842 3_STAR
CHEBI:17843 biolink:ChemicalSubstance transfer RNA A single-stranded RNA molecule containing about 70-90 nucleotides, folded by intrastrand base pairing into a characteristic secondary ('cloverleaf') structure that carries a specific amino acid and matches it to its corresponding codon on an mRNA during protein synthesis. CAS:9014-25-9|KEGG:C00066 phenio.json RNA, transfer|tRNA|transfer RNA http://purl.obolibrary.org/obo/CHEBI_17843 3_STAR
CHEBI:17844 biolink:ChemicalSubstance 2-amino-3-oxobutanoic acid An alpha-amino acid that is acetoacetic acid which is substituted by an amino group at position 2. CAS:6531-42-6|KEGG:C03214 phenio.json 2-Amino-3-oxobutanoate|2-Amino-acetoacetate|2-amino-3-ketobutyrate|2-amino-3-oxobutanoic acid http://purl.obolibrary.org/obo/CHEBI_17844 3_STAR
CHEBI:17845 biolink:ChemicalSubstance 1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol KEGG:C04673 phenio.json 1-[(1S,2S,3R,4S,6R)-2,3,4,6-tetrahydroxy-5-oxocyclohexyl]guanidine|1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol|1D-1-guanidino-1-deoxy-3-dehydro-scyllo-inositol|Amidino-3-keto-scyllo-inosamine http://purl.obolibrary.org/obo/CHEBI_17845 3_STAR
CHEBI:17846 biolink:ChemicalSubstance (S)-naringenin The (S)-enantiomer of naringenin. CAS:480-41-1|DrugBank:DB03467|HMDB:HMDB0002670|KEGG:C00509|KNApSAcK:C00000982|LIPID_MAPS_instance:LMPK12140001|MetaCyc:NARINGENIN-CMPD|PDBeChem:NAR|PMID:11093936|PMID:17664077|Reaxys:90699|Wikipedia:Naringenin phenio.json (-)-(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one|(-)-(2S)-Naringenin|(-)-(2S)-naringenin|(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one|(2S)-Naringenin|(2S)-naringenin|(S)-2,3-dihydo-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|4',5,7-Trihydroxyflavanone|4',5,7-trihydroxyflavanone|NARINGENIN|Naringenin|naringetol|pelargidanon|salipurpol http://purl.obolibrary.org/obo/CHEBI_17846 3_STAR
CHEBI:17847 biolink:ChemicalSubstance p-cresol A cresol that consists of toluene substituted by a hydroxy group at position 4. It is a metabolite of aromatic amino acid metabolism produced by intestinal microflora in humans and animals. CAS:106-44-5|DrugBank:DB01688|Gmelin:2779|HMDB:HMDB0001858|KEGG:C01468|KNApSAcK:C00002645|MetaCyc:CPD-108|PDBeChem:PCR|PMID:12427124|PMID:17660685|Reaxys:1305151|UM-BBD_compID:c0127|Wikipedia:P-cresol phenio.json 1-hydroxy-4-methylbenzene|4-Cresol|4-Hydroxytoluene|4-Methylphenol|4-methylphenol|P-CRESOL|p-Cresol|p-Kresol|p-methylphenol|p-tolyl alcohol|paracresol http://purl.obolibrary.org/obo/CHEBI_17847 3_STAR
CHEBI:17848 biolink:ChemicalSubstance 1-acyl-2-oleoyl-sn-glycero-3-phosphocholine A 1,2-diacyl-sn-glycero 3-phosphocholine in which the acyl group at position 1 is unspecified while that at position 2 is specified as oleoyl KEGG:C01282 phenio.json 1-Acyl-2-oleoyl-sn-glycero-3-phosphocholine http://purl.obolibrary.org/obo/CHEBI_17848 3_STAR
CHEBI:17851 biolink:ChemicalSubstance m(7)G(5')pppAm mRNA containing a 2'-O-methyladenosine cap. KEGG:C01972|MetaCyc:CPD-8628|PMID:1194286|PMID:513196|PMID:627567|PMID:6452534|PMID:670176|PMID:670177|PMID:833934 phenio.json m(7)G(5')pppA(m)|m7G(5')pppAm http://purl.obolibrary.org/obo/CHEBI_17851 3_STAR
CHEBI:17852 biolink:ChemicalSubstance homocitric acid CAS:3562-74-1|KEGG:C01251 phenio.json 2-hydroxybutane-1,2,4-tricarboxylic acid|3-Hydroxy-3-carboxyadipic acid|Homocitric acid http://purl.obolibrary.org/obo/CHEBI_17852 3_STAR
CHEBI:17853 biolink:ChemicalSubstance S-acetylcysteamine Beilstein:1743121|KEGG:C03537 phenio.json S-(2-aminoethyl) ethanethioate|S-Acetylthioethanolamine http://purl.obolibrary.org/obo/CHEBI_17853 3_STAR
CHEBI:17854 biolink:ChemicalSubstance cyclohexanone A cyclic ketone that consists of cyclohexane bearing a single oxo substituent. CAS:108-94-1|DrugBank:DB02060|HMDB:HMDB0003315|KEGG:C00414|MetaCyc:CYCLOHEXANONE|PDBeChem:CYH|PMID:20928898|PMID:21556397|PMID:21647476|PMID:21766129|PMID:7814101|PPDB:1308|Patent:GB310055|Patent:US2223493|Patent:US2223494|Patent:US2285914|Reaxys:385735|UM-BBD_compID:c0195|Wikipedia:Cyclohexanone phenio.json CYCLOHEXANONE|Cyclohexanone|Cyclohexyl ketone|Ketocyclohexane|Ketohexamethylene|Oxocyclohexane|cyclohexanone http://purl.obolibrary.org/obo/CHEBI_17854 3_STAR
CHEBI:17855 biolink:ChemicalSubstance triglyceride Any glyceride resulting from the condensation of all three hydroxy groups of glycerol (propane-1,2,3-triol) with fatty acids. KEGG:C00422|LIPID_MAPS_class:LMGL0301|PMID:2474544 phenio.json Triacylglycerol|Triglycerid|Triglyceride|Triglyzerid|a triacylglycerol|triacylglycerols|triglycerides http://purl.obolibrary.org/obo/CHEBI_17855 3_STAR
CHEBI:17856 biolink:ChemicalSubstance glucuronoxylan 4-O-methyl-D-glucuronate phenio.json http://purl.obolibrary.org/obo/CHEBI_17856 1_STAR
CHEBI:17857 biolink:ChemicalSubstance 4-methyl-5-(2-phosphonooxyethyl)thiazole Beilstein:195538|DrugBank:DB03145|KEGG:C04327|KNApSAcK:C00007608|PDBeChem:TZP phenio.json 2-(4-methyl-1,3-thiazol-5-yl)ethyl dihydrogen phosphate|4-METHYL-5-HYDROXYETHYLTHIAZOLE PHOSPHATE|4-Methyl-5-(2-phosphoethyl)-thiazole|4-Methyl-5-(2-phosphono-oxyethyl)-thiazole|4-methyl-5-(2-phosphonooxyethyl)-thiazole|PHOSPHORIC ACID MONO-[2-(4-METHYL-THIAZOL-5-YL)-ETHYL] ESTER http://purl.obolibrary.org/obo/CHEBI_17857 3_STAR
CHEBI:17858 biolink:ChemicalSubstance glutathione disulfide CAS:27025-41-8|DrugBank:DB03310|Drug_Central:5130|KEGG:C00127|KEGG:D00031|PDBeChem:GDS phenio.json (2S,2'S)-5,5'-[disulfanediylbis({(2R)-3-[(carboxymethyl)amino]-3-oxopropane-1,2-diyl}imino)]bis(2-amino-5-oxopentanoic acid)|GSSG|Glutathione disulfide|OXIDIZED GLUTATHIONE DISULFIDE|Oxidized glutathione|Oxiglutatione|glutathione disulphide|oxidised glutathione http://purl.obolibrary.org/obo/CHEBI_17858 3_STAR
CHEBI:17859 biolink:ChemicalSubstance glutaric acid An alpha,omega-dicarboxylic acid that is a linear five-carbon dicarboxylic acid. CAS:110-94-1|DrugBank:DB03553|Gmelin:26809|HMDB:HMDB0000661|KEGG:C00489|KNApSAcK:C00001184|LIPID_MAPS_instance:LMFA01170046|PDBeChem:GUA|PMID:24297153|PMID:24587932|PMID:24900967|Reaxys:1209725|Wikipedia:Glutaric_acid phenio.json 1,3-Propanedicarboxylic acid|1,5-pentanedioic acid|GLUTARIC ACID|Glutaric acid|Glutarsaeure|Pentanedioic acid|pentanedioic acid http://purl.obolibrary.org/obo/CHEBI_17859 3_STAR
CHEBI:17860 biolink:ChemicalSubstance 6-phospho-2-dehydro-3-deoxy-D-galactonic acid KEGG:C01286|PDBeChem:KDP phenio.json 2-Dehydro-3-deoxy-D-galactonate 6-phosphate|2-dehydro-3-deoxy-D-galactonate 6-phosphate|6-O-phosphono-3-deoxy-D-threo-hex-2-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_17860 3_STAR
CHEBI:17861 biolink:ChemicalSubstance 4-chlorobenzoate A chlorobenzoate that is the conjugate base of 4-chlorobenzoic acid. Gmelin:326210|KEGG:C02370|Reaxys:3904780|UM-BBD_compID:c0103 phenio.json 4-chlorobenzoate|p-chlorobenzoate|pCl-benzoate anion http://purl.obolibrary.org/obo/CHEBI_17861 3_STAR
CHEBI:17862 biolink:ChemicalSubstance 3-dehydrosphinganine A 2-amino-1-hydroxyoctadecan-3-one that has S-configuration. Beilstein:6792651|KEGG:C02934|LIPID_MAPS_instance:LMSP01020002|PMID:4315749|PMID:4362562|Reaxys:6792651 phenio.json (2S)-2-amino-1-hydroxyoctadecan-3-one|3-Dehydro-D-sphinganine|3-Dehydrosphinganine|3-dehydro-D-sphinganine|3-ketodihydrosphingosine|3-ketosphinganine http://purl.obolibrary.org/obo/CHEBI_17862 3_STAR
CHEBI:17863 biolink:ChemicalSubstance cellobiono-1,5-lactone A disaccharide consisting of D-glucono-1,5-lactone having a beta-D-glucosyl residue at the 4-position. CAS:52762-22-8|KEGG:C01093|KEGG:G10590 phenio.json Cellobiono-1,5-lactone|Cellobionolactone|Cellobiose-1,5-lactone|D-cellobiono-1,5-lactone|beta-D-glucopyranosyl-(1->4)-D-glucono-1,5-lactone http://purl.obolibrary.org/obo/CHEBI_17863 3_STAR
CHEBI:17864 biolink:ChemicalSubstance taurolithocholic acid sulfate The steroid sulfate of taurolithocholic acid. Beilstein:9174999|CAS:15324-65-9|HMDB:HMDB0002580|KEGG:C03642|LIPID_MAPS_instance:LMST05020003|PMID:24177139|PMID:8437507|PMID:871063|PMID:894140|Reaxys:9174999 phenio.json (3alpha-sulfato-5beta-cholan-24-oyl)-2'-aminoethanesulfonate|2-[(24-oxo-3alpha-sulfooxy-5beta-cholan-24-yl)amino]ethanesulfonic acid|3alpha-Sulfatolithocholyltaurine|Slct-3-sulfate|TLC-S|Taurolithocholate 3-sulfate|Taurolithocholate sulfate|Taurolithocholic acid 3-sulfate http://purl.obolibrary.org/obo/CHEBI_17864 3_STAR
CHEBI:17865 biolink:ChemicalSubstance 4-methyl-2-oxopentanoate A 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid. KEGG:C00233|Reaxys:3904096 phenio.json 2-Oxoisocaproate|4-methyl-2-oxopentanoate|alpha-ketoisocaproate http://purl.obolibrary.org/obo/CHEBI_17865 3_STAR
CHEBI:17866 biolink:ChemicalSubstance digallate KEGG:C01572 phenio.json 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoate|digallate http://purl.obolibrary.org/obo/CHEBI_17866 3_STAR
CHEBI:17868 biolink:ChemicalSubstance 1-palmitoylglycerone 3-phosphate CAS:17378-38-0|KEGG:C01192 phenio.json 1-palmitoylglycerone 3-phosphate|2-oxo-3-(phosphonooxy)propyl hexadecanoate|Hexadecanoic acid 2-oxo-3-(phosphonooxy)propyl ester|Hexadecanoyl dihydroxyacetone phosphate|Palmitoyl dihydroxyacetone phosphate|Palmitoyl glycerone phosphate|Palmitoylglycerone phosphate http://purl.obolibrary.org/obo/CHEBI_17868 3_STAR
CHEBI:17869 biolink:ChemicalSubstance 6-hydroxyhexanoic acid An omega-hydroxy fatty acid comprising hexanoic acid having a hydroxy group at the 6-position. CAS:1191-25-9|HMDB:HMDB0012843|KEGG:C06103|LIPID_MAPS_instance:LMFA01050015|PMID:14698179|PMID:6630146|Reaxys:1236785 phenio.json 5-carboxypentanol|5-hydroxypentanecarboxylic acid|6-Hydroxyhexanoate|6-Hydroxyhexanoic acid|6-hydroxy caproic acid|6-hydroxycaproic acid|6-hydroxyhexanoic acid|epsilon-hydroxycaproic acid|epsilon-hydroxyhexanoic acid http://purl.obolibrary.org/obo/CHEBI_17869 3_STAR
CHEBI:178699 biolink:ChemicalSubstance Ethanolamine Oleate CAS:2272-11-9|Chemspider:4445632|DrugBank:DB06689|HMDB:HMDB0015638|KEGG:D02276 phenio.json 2-aminoethanol;(Z)-octadec-9-enoic acid http://purl.obolibrary.org/obo/CHEBI_178699 2_STAR
CHEBI:17871 biolink:ChemicalSubstance 3-hydroxypropanal CAS:2134-29-4|KEGG:C00969 phenio.json 3-Hydroxypropanal|3-hydroxypropanal http://purl.obolibrary.org/obo/CHEBI_17871 3_STAR
CHEBI:17872 biolink:ChemicalSubstance 2-oxo-2H-pyran-4,6-dicarboxylic acid KEGG:C03671 phenio.json 2-Pyrone-4,6-dicarboxylate|2-oxo-2H-pyran-4,6-dicarboxylic acid http://purl.obolibrary.org/obo/CHEBI_17872 3_STAR
CHEBI:17874 biolink:ChemicalSubstance dihydrozeatin A 6-alkylaminopurine that is 7H-purin-6-amine where one of the hydrogens of the amino group is replaced by a 4-hydroxy-3-methylbutyl group. It is an intermediate in the zeatin biosynthesis. CAS:23599-75-9|HMDB:HMDB0012215|KEGG:C02029|KNApSAcK:C00000093|MetaCyc:CPD-332|PDBeChem:WA2|PMID:20488581|PMID:22832308|PMID:24325449|Reaxys:1215977 phenio.json (2R)-2-methyl-4-(7H-purin-6-ylamino)butan-1-ol|2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol|2-methyl-4-(9H-purin-6-ylamino)butan-1-ol|Dihydrozeatin|N(6)-(4-hydroxyisopentanyl)adenine|N6-(4-Hydroxyisopentanyl)adenine|dihydrozeatin http://purl.obolibrary.org/obo/CHEBI_17874 3_STAR
CHEBI:17875 biolink:ChemicalSubstance quercetin 3,3'-bissulfate A quercetin bissulfate having sulfo groups at positions 3 and 3'. KEGG:C01155|KNApSAcK:C00004960|MetaCyc:QUERCETIN-33-BISSULFATE|Reaxys:3639579 phenio.json 5,7-dihydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-4-oxo-4H-chromen-3-yl hydrogen sulfate|Quercetin 3,3'-bissulfate|quercetin 3,3'-bis(hydrogen sulfate) http://purl.obolibrary.org/obo/CHEBI_17875 3_STAR
CHEBI:17876 biolink:ChemicalSubstance rifamycin B CAS:13929-35-6|KEGG:C01848|LIPID_MAPS_instance:LMPK05000003 phenio.json 4-O-(Carboxymethyl)rifamycin|Acetic acid, ((1,2-dihydro-5,6,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-2,7-(epoxypentadeca(1,11,13)trienimino)naphtho(2,1-b)furan-9-yl)-oxy)-, 21-acetate|Rifamycin B|[(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-acetyloxy-5,6,17,19-tetrahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-9-yloxy]acetic acid http://purl.obolibrary.org/obo/CHEBI_17876 3_STAR
CHEBI:17877 biolink:ChemicalSubstance FADH2 Beilstein:1208989|CAS:1910-41-4|KEGG:C01352|PDBeChem:FDA phenio.json 1,5-dihydro-FAD|DIHYDROFLAVINE-ADENINE DINUCLEOTIDE|FADH2|adenosine 5'-(3-{D-ribo-5-[7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl} dihydrogen diphosphate)|flavin adenine dinucleotide (reduced) http://purl.obolibrary.org/obo/CHEBI_17877 3_STAR
CHEBI:17878 biolink:ChemicalSubstance 2-hydroxycyclohexan-1-one CAS:533-60-8|KEGG:C01147 phenio.json 2-Hydroxycyclohexan-1-one|2-Hydroxycyclohexanone|2-hydroxycyclohexan-1-one|Adipoin http://purl.obolibrary.org/obo/CHEBI_17878 3_STAR
CHEBI:17879 biolink:ChemicalSubstance 4-hydroxybenzoate The conjugate base of 4-hydroxybenzoic acid, comprising a 4-hydroxybenzoic acid core with a proton missing to give a charge of -1. CAS:456-23-5|Gmelin:326508|KEGG:C00156|MetaCyc:4-hydroxybenzoate|PMID:35585492|PMID:36161690|Reaxys:3589159|UM-BBD_compID:c0104 phenio.json 4-hydroxybenzoate|4-hydroxybenzoic acid, ion(1-)|p-hydroxybenzoate http://purl.obolibrary.org/obo/CHEBI_17879 3_STAR
CHEBI:17881 biolink:ChemicalSubstance 5-amino-4-chloro-2-(2-hydroxymuconoyl)pyridazin-3(2H)-one KEGG:C05155 phenio.json 5-Amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone|5-amino-4-chloro-2-(2-hydroxymuconoyl)-3(2H)-pyridazinone|6-(4-amino-5-chloro-6-oxopyridazin-1(6H)-yl)-5-hydroxy-6-oxohexa-2,4-dienoic acid http://purl.obolibrary.org/obo/CHEBI_17881 3_STAR
CHEBI:17882 biolink:ChemicalSubstance UDP-N-acetylmuramic acid phenio.json uridine 5'-(3-{2-acetylamino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucopyranosyl} dihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_17882 3_STAR
CHEBI:17883 biolink:ChemicalSubstance hydrogen chloride A mononuclear parent hydride consisting of covalently bonded hydrogen and chlorine atoms. CAS:7647-01-0|Drug_Central:4568|Gmelin:322|HMDB:HMDB0002306|KEGG:C01327|KEGG:D02057|MetaCyc:HCL|PMID:15823700|PMID:17492841|PMID:22804993|Reaxys:1098214|Wikipedia:HCl|Wikipedia:Hydrochloric_acid phenio.json Chlorwasserstoff|HCl|Hydrochloride|Hydrogen chloride|Hydrogenchlorid|Wasserstoffchlorid|[HCl]|chlorane|chloridohydrogen|chlorure d'hydrogene|cloruro de hidrogeno|hydrochloric acid|hydrogen chloride http://purl.obolibrary.org/obo/CHEBI_17883 3_STAR
CHEBI:17884 biolink:ChemicalSubstance N(2)-phenylacetyl-L-glutamine An a N(2)-phenylacetylglutamine having L-configuration. CAS:28047-15-6|HMDB:HMDB0006344|KEGG:C04148|MetaCyc:CPD-1097|PMID:14709615|PMID:22770225|PMID:2791363|Reaxys:2593680|Wikipedia:Phenylacetylglutamine phenio.json N(2)-(phenylacetyl)-L-glutamine|alpha-N-Phenylacetyl-L-glutamine|phenylacetyl-L-glutamine|phenylacetylglutamine http://purl.obolibrary.org/obo/CHEBI_17884 3_STAR
CHEBI:17885 biolink:ChemicalSubstance CDP-glycerol A nucleotide-alditol having cytidine-5'-diphosphate and glycerol as the nucleotide and alditol components respectively. CAS:6665-99-2|FooDB:FDB030719|HMDB:HMDB0059599|PMID:13382807|PMID:13911452|PMID:14506262|PMID:16344011|PMID:18723614|PMID:27795311|PMID:29884773|PMID:34255834|PMID:3935442 phenio.json CDP-glycerol|cytidine 5'-[3-(2,3-dihydroxypropyl) dihydrogen diphosphate]|cytidine 5'-diphosphate glycerol|cytidine 5'-pyrophosphate, 2,3-dihydroxypropyl ester|cytidine diphosphate glycerol|cytidine diphosphoglycerol http://purl.obolibrary.org/obo/CHEBI_17885 3_STAR
CHEBI:17886 biolink:ChemicalSubstance D-tagaturonate Conjugate base of D-tagaturonic acid. Beilstein:3907133|KEGG:C00558 phenio.json D-Tagaturonate|D-Tagaturonic acid|D-arabino-hex-5-ulosonate|keto-D-tagaturonate http://purl.obolibrary.org/obo/CHEBI_17886 3_STAR
CHEBI:17888 biolink:ChemicalSubstance 6-phospho-beta-D-glucosyl-(1->4)-D-glucose A disaccharide phosphate consisting of cellobiose having a monophosphate group at the 6'-position. Beilstein:10613051 phenio.json 4-O-(6-O-phosphono-beta-D-glucopyranosyl)-D-glucopyranose|6'-O-phosphonocellobiose|6'-phosphocellobiose|6-O-phosphono-beta-D-glucopyranosyl-(1->4)-D-glucopyranose|6-phospho-beta-D-glucoside-(1,4)-D-glucose|6-phospho-beta-D-glucosyl-(1,4)-D-glucose|cellobiose monophosphate http://purl.obolibrary.org/obo/CHEBI_17888 3_STAR
CHEBI:17889 biolink:ChemicalSubstance isopyridoxal A pyridinecarbaldehyde that is pyridine-5-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 4 respectively. CAS:66-72-8|HMDB:HMDB0004290|KEGG:C06051|MetaCyc:CPD-383|PMID:13702476|PMID:22770225|PMID:5769992|Reaxys:383768 phenio.json 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carbaldehyde|Isopyridoxal|isopyridoxal http://purl.obolibrary.org/obo/CHEBI_17889 3_STAR
CHEBI:17890 biolink:ChemicalSubstance tryptophol An indolyl alcohol that is ethanol substituted by a 1H-indol-3-yl group at position 2. CAS:526-55-6|Gmelin:142970|HMDB:HMDB0003447|KEGG:C00955|KNApSAcK:C00000114|MetaCyc:CPD-341|PMID:10856636|PMID:12499363|PMID:16664264|PMID:19842066|PMID:23413824|PMID:24032669|PMID:24253838|Reaxys:125553|Wikipedia:Tryptophol phenio.json 1H-indole-3-ethanol|1H-indolyl-3-ethanol|2-(1H-indol-3-yl)ethanol|2-(indol-3-yl)ethanol|3-(2-hydroxyethyl)indole|Indole-3-ethanol|Tryptophanol|Tryptophol|indole-3-ethanol http://purl.obolibrary.org/obo/CHEBI_17890 3_STAR
CHEBI:17891 biolink:ChemicalSubstance donor A molecular entity that can transfer ("donate") an electron, a pair of electrons, an atom or a group to another molecular entity. KEGG:C01351 phenio.json Donator|Donor|donneur http://purl.obolibrary.org/obo/CHEBI_17891 3_STAR
CHEBI:17892 biolink:ChemicalSubstance L-rhamnulose 1-phosphate A deoxyketohexose phosphate consisting of L-rhamnulose having a monophosphate group at the 1-position. Beilstein:6143004|CAS:444-09-7|KEGG:C01131|KNApSAcK:C00019653|PMID:1092965|PMID:14339000|PMID:17645352|PMID:22735612|PMID:4208690|PMID:4975916|PMID:5339367|PMID:8774862 phenio.json 6-deoxy-1-O-phosphono-L-fructose|6-deoxy-L-fructose 1-(dihydrogen phosphate)|L-Rhamnulose 1-phosphate|Rhamnulose 1-phosphate http://purl.obolibrary.org/obo/CHEBI_17892 3_STAR
CHEBI:17893 biolink:ChemicalSubstance (2R)-2-hydroxy monocarboxylic acid A 2-hydroxy monocarboxylic acid having (2R)-configuration. KEGG:C02489|KEGG:C15487 phenio.json (2R)-2-hydroxy monocarboxylic acids|(2R)-Hydroxy-carboxylate|(R)-2-Hydroxyacid|(R)-2-Hydroxycarboxylic acid http://purl.obolibrary.org/obo/CHEBI_17893 3_STAR
CHEBI:17895 biolink:ChemicalSubstance L-tyrosine An optically active form of tyrosine having L-configuration. CAS:60-18-4|DrugBank:DB00135|Drug_Central:2786|ECMDB:ECMDB00158|Gmelin:50929|HMDB:HMDB0000158|KEGG:C00082|KEGG:D00022|KNApSAcK:C00001397|MetaCyc:TYR|PDBeChem:TYR|PMID:15171683|PMID:22360849|PMID:22402312|Reaxys:392441|UM-BBD_compID:c0234|Wikipedia:Tyrosine|YMDB:YMDB00364 phenio.json (-)-alpha-amino-p-hydroxyhydrocinnamic acid|(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid|(S)-(-)-Tyrosine|(S)-2-Amino-3-(p-hydroxyphenyl)propionic acid|(S)-3-(p-Hydroxyphenyl)alanine|(S)-Tyrosine|(S)-alpha-amino-4-hydroxybenzenepropanoic acid|4-hydroxy-L-phenylalanine|L-Tyrosin|L-Tyrosine|L-tyrosine|TYROSINE|Tyr|Tyrosine|Y http://purl.obolibrary.org/obo/CHEBI_17895 3_STAR
CHEBI:17897 biolink:ChemicalSubstance L-rhamnulose A deoxyketohexose consisting of L-fructose lacking the 6-hydroxy group. CAS:14807-05-7|FooDB:FDB027362|HMDB:HMDB0010207|KEGG:C00861|KNApSAcK:C00019652|MetaCyc:RHAMNULOSE|PMID:13825387|PMID:20516598|PMID:23070627|Reaxys:1723712 phenio.json 6-deoxy-L-arabino-hex-2-ulose|6-deoxy-L-fructose|L-Rhamnulose|L-rhamnulose http://purl.obolibrary.org/obo/CHEBI_17897 3_STAR
CHEBI:17898 biolink:ChemicalSubstance all-trans-retinal A retinal in which all four exocyclic double bonds have E- (trans-) geometry. CAS:116-31-4|Chemspider:553582|FooDB:FDB030668|HMDB:HMDB0001358|KEGG:C00376|LIPID_MAPS_instance:LMPR01090002|MetaCyc:RETINAL|PDBeChem:RET|PMID:12168520|PMID:15500295|PMID:15686550|PMID:15724104|PMID:16004575|PMID:16054134|PMID:16128572|PMID:17326003|PMID:21447403|PMID:21995425|PMID:22162152|PMID:22198730|PMID:22220722|PMID:22417174|PMID:22428905|PMID:22431612|PMID:22515697|PMID:22529810|PMID:22559266|PMID:22621924|PMID:22841964|PMID:22879987|PMID:26568132|PMID:28780307|PMID:31931077|PMID:32212312|PMID:32371567|PMID:32492112|PMID:33034385|PMID:33334878|Reaxys:1914183|Wikipedia:Retinal phenio.json (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenal|E-retinal|all-E-retinal|all-trans-retinal|all-trans-retinaldehyde|all-trans-retinene|all-trans-vitamin A aldehyde|axerophthal|retinal|retinaldehyde|retinene|retinene 1|retinyl aldehyde|trans-retinal|trans-vitamin A aldehyde|vitamin A aldehyde|vitamin A1 aldehyde http://purl.obolibrary.org/obo/CHEBI_17898 3_STAR
CHEBI:17899 biolink:ChemicalSubstance 7alpha-hydroxycholest-4-en-3-one A cholestanoid consisting of a cholesterol core having an oxo group at the 3-position, a C=C bond at the 4,5-position and an alpha-hydroxy group at the 7-position. CAS:3862-25-7|KEGG:C05455|LIPID_MAPS_instance:LMST04030123 phenio.json 7alpha-Hydroxy-4-cholesten-3-one|7alpha-Hydroxycholest-4-en-3-one|7alpha-hydroxycholest-4-en-3-one|Cholest-4-en-7alpha-ol-3-one http://purl.obolibrary.org/obo/CHEBI_17899 3_STAR
CHEBI:17901 biolink:ChemicalSubstance 6-O-acetyl-D-glucose KEGG:C02655 phenio.json 6-Acetyl-D-glucose|6-O-acetyl-D-glucopyranose|6-acetyl-D-glucose http://purl.obolibrary.org/obo/CHEBI_17901 3_STAR
CHEBI:17902 biolink:ChemicalSubstance N-carbamoylputrescine An N-substituted putrescine where the N-substituent is a carbamoyl group. CAS:6851-51-0|KEGG:C00436|KNApSAcK:C00001404 phenio.json 1-(4-aminobutyl)urea|N-Carbamoylputrescine|N-carbamoylputrescine http://purl.obolibrary.org/obo/CHEBI_17902 3_STAR
CHEBI:17903 biolink:ChemicalSubstance 4-(dimethylamino)azobenzene CAS:60-11-7|KEGG:C03764 phenio.json 4-(Dimethylamino)azobenzene|4-(Dimethylamino)phenylazobenzene|4-(N,N-Dimethylamino)azobenzene|4-(Phenylazo)-N,N-dimethylaniline|4-(dimethylamino)azobenzene|Dimethyl yellow|Methyl yellow|N,N-Dimethyl-4-(phenylazo)benzenamine|N,N-dimethyl-4-(phenylazo)aniline|N,N-dimethyl-4-(phenylazo)benzenamine|N,N-dimethyl-4-(phenyldiazenyl)aniline http://purl.obolibrary.org/obo/CHEBI_17903 3_STAR
CHEBI:17905 biolink:ChemicalSubstance coenzyme M An organosulfonic acid consisting of sulfonic acid having a 2-mercaptoethyl group attached to sulfur. CAS:3375-50-6|COMe:MOL000060|Drug_Central:1711|Gmelin:240303|HMDB:HMDB0003745|KEGG:C03576|KNApSAcK:C00000761|LINCS:LSM-6047|MetaCyc:CoM|PDBeChem:COM|PMID:24151448|Reaxys:1098878 phenio.json 1-THIOETHANESULFONIC ACID|2-Mercaptoethanesulfonate|2-mercaptoethanesulfonic acid|2-mercaptoethanesulphonic acid|2-mercaptoethylsulfonate|2-sulfanylethanesulfonic acid|2-sulfanylethylsulfonate|CoM|Coenzym M|Coenzyme M|HS-CoM|Mesna|beta-mercaptoethanesulfonic acid|coenzima M|reduced CoM|reduced coenzyme M http://purl.obolibrary.org/obo/CHEBI_17905 3_STAR
CHEBI:17906 biolink:ChemicalSubstance aminoacetone A propanone consisting of acetone having an amino group at the 1-position. CAS:298-08-8|KEGG:C01888 phenio.json 1-AMINO-PROPAN-2-ONE|1-Amino-2-propanone|1-aminopropan-2-one|Aminoacetone http://purl.obolibrary.org/obo/CHEBI_17906 3_STAR
CHEBI:17907 biolink:ChemicalSubstance styrene oxide An epoxide that is oxirane in which one of the hydrogens has been replaced by a phenyl group. CAS:96-09-3|Gmelin:50213|KEGG:C02083|MetaCyc:2-Phenyloxirane|PMID:11551533|PMID:19245253|PMID:24320693|Reaxys:108582|UM-BBD_compID:c0037|Wikipedia:Styrene_oxide phenio.json (epoxyethyl)benzene|1,2-epoxy-1-phenylethane|1,2-epoxyethylbenzene|1-phenyl-1,2-epoxyethane|1-phenyloxirane|2-phenyloxirane|Styrene oxide|Styrene-7,8-oxide|alpha,beta-epoxystyrene|epoxyethylbenzene|epoxystyrene|phenethylene oxide|phenyl oxirane|phenylethylene oxide|phenyloxirane|styrene 7,8-oxide|styrene epoxide|styrene oxide|styrene-7,8-oxide|styryl oxide http://purl.obolibrary.org/obo/CHEBI_17907 3_STAR
CHEBI:17909 biolink:ChemicalSubstance polysulfur CAS:7704-34-9|CAS:9035-99-8|KEGG:C00087|Pesticides:sulfur phenio.json S|Sn|Sulfur|Sulfur, precipitated|polysulfur|sulfur, homopolymer|sulphur http://purl.obolibrary.org/obo/CHEBI_17909 3_STAR
CHEBI:17913 biolink:ChemicalSubstance streptidine 6-phosphate A derivative of streptidine having a phosphate group at the 6-position. CAS:73679-08-0|KEGG:C01121 phenio.json (1S,2R,3S,4S,5R,6S)-2,4-bis(carbamimidamido)-3,5,6-trihydroxycyclohexyl dihydrogen phosphate|D-Streptamine, N,N'-bis(aminoiminomethyl)-, 6-(dihydrogen phosphate)|Streptidine 6-phosphate|Streptidine-6-phosphate http://purl.obolibrary.org/obo/CHEBI_17913 3_STAR
CHEBI:179145 biolink:ChemicalSubstance Tricetinidin Chemspider:9374719|HMDB:HMDB0034043|LIPID_MAPS_instance:LMPK12010440 phenio.json 5-(5,7-dihydroxychromenylium-2-yl)benzene-1,2,3-triol http://purl.obolibrary.org/obo/CHEBI_179145 2_STAR
CHEBI:17915 biolink:ChemicalSubstance hexano-6-lactone A epsilon-lactone that is oxepane substituted by an oxo group at position 2. CAS:502-44-3|Gmelin:675457|HMDB:HMDB0060476|KEGG:C01880|MetaCyc:CPD-101|PMID:24453135|Reaxys:106919|UM-BBD_compID:c0059|Wikipedia:Caprolactone phenio.json 1,6-hexanolide|1-Oxa-2-oxocycloheptane|2-Oxepanone|2-oxacycloheptanone|2-oxohexamethylene oxide|6-Hexanolide|6-hexanolactone|6-hydroxyhexanoic acid lactone|6-hydroxyhexanoic acid, epsilon-lactone|caprolactone|epsilon-Caprolactone|epsilon-caprolactone monomer|hexan-6-olide|hexano-6-lactone|hexanoic acid, epsilon-lactone|oxepan-2-one http://purl.obolibrary.org/obo/CHEBI_17915 3_STAR
CHEBI:17917 biolink:ChemicalSubstance L-allysine An optically active form of allysine having L-configuration. DrugBank:DB02571|KEGG:C04076|PDBeChem:DO2 phenio.json (2S)-2-amino-6-oxohexanoic acid|(S)-2-Amino-6-oxohexanoate|2-AMINO-6-OXO-HEXANOIC ACID|6-oxo-L-norleucine|Allysine|L-2-Aminoadipate 6-semialdehyde|L-6-oxonorleucine|L-Allysine|L-allysine http://purl.obolibrary.org/obo/CHEBI_17917 3_STAR
CHEBI:179179 biolink:ChemicalSubstance Pramanicin Chemspider:7996417|Chemspider:8770652|LIPID_MAPS_instance:LMSP01080048 phenio.json (3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)-3-[(E)-3-[(2R,3R)-3-nonyloxiran-2-yl]prop-2-enoyl]pyrrolidin-2-one|3,4-dihydroxy-5-(hydroxymethyl)-3-[(E)-3-(3-nonyloxiran-2-yl)prop-2-enoyl]pyrrolidin-2-one http://purl.obolibrary.org/obo/CHEBI_179179 2_STAR
CHEBI:17919 biolink:ChemicalSubstance 3-mercapto-2-mercaptomethylpropanoic acid A sulfur-containing carboxylic acid consisting of isobutyric acid having mercapto substituents on both beta-carbons. KEGG:C04371|KNApSAcK:C00000305 phenio.json 3-Mercapto-2-mercaptomethylpropanoate|3-sulfanyl-2-(sulfanylmethyl)propanoic acid http://purl.obolibrary.org/obo/CHEBI_17919 3_STAR
CHEBI:17920 biolink:ChemicalSubstance 3-methyleneoxindole CAS:1861-29-6|KEGG:C02796 phenio.json 3-Methyleneoxindole|3-methylene-1,3-dihydro-2H-indol-2-one|3-methyleneoxindole|3-methylidene-1,3-dihydro-2H-indol-2-one http://purl.obolibrary.org/obo/CHEBI_17920 3_STAR
CHEBI:17924 biolink:ChemicalSubstance D-glucitol The D-enantiomer of glucitol (also known as D-sorbitol). Beilstein:4656395|CAS:50-70-4|DrugBank:DB01638|Drug_Central:2462|Gmelin:83162|HMDB:HMDB0000247|KEGG:C00794|KEGG:D00096|KNApSAcK:C00001173|PDBeChem:SOR|PMID:16901854|PMID:17336832|PMID:17979222|PMID:19443021|PMID:19695255|PMID:22735334|PMID:22878210|PMID:23683321|PMID:24643482|PMID:25108762|PMID:25568069|PMID:31537530|PPDB:1320|Reaxys:1721899|Wikipedia:Sorbitol phenio.json (-)-sorbitol|(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol|D-(-)-sorbitol|D-Glucitol|D-SORBITOL|D-Sorbit|D-Sorbitol|D-glucitol|D-sorbitol|E 420|E-420|E420|G-ol|Glc-ol|L-Gulitol http://purl.obolibrary.org/obo/CHEBI_17924 3_STAR
CHEBI:17925 biolink:ChemicalSubstance alpha-D-glucose D-Glucopyranose having alpha-configuration at the anomeric centre. Beilstein:1281608|Beilstein:5730158|CAS:492-62-6|GlyGen:G58161NS|GlyTouCan:G58161NS|Gmelin:329225|KEGG:C00267|KNApSAcK:C00001122|PDBeChem:GLC|PMID:19443021|PMID:25568069|PMID:31537530 phenio.json ALPHA-D-GLUCOSE|WURCS=2.0/1,1,0/[a2122h-1a_1-5]/1/|alpha-D-Glc|alpha-D-Glucose|alpha-D-glucopyranose|alpha-D-glucose|alpha-dextrose http://purl.obolibrary.org/obo/CHEBI_17925 3_STAR
CHEBI:17926 biolink:ChemicalSubstance hydrogenobyrinic acid Beilstein:4227766|CAS:23599-55-5|DrugBank:DB02460|KEGG:C06399 phenio.json Hydrogenobyrinate|Hydrogenobyrinic acid|Hydrogenobyrinsaeure http://purl.obolibrary.org/obo/CHEBI_17926 3_STAR
CHEBI:17927 biolink:ChemicalSubstance N(1)-acetylspermidine An acetylspermidine having the acetyl group at the N1-position. CAS:14278-49-0|HMDB:HMDB0001276|KEGG:C00612|MetaCyc:CPD-568|PMID:22770225|PMID:8446047|Reaxys:4176501 phenio.json 1-N-acetylspermidine|N-{3-[(4-aminobutyl)amino]propyl}acetamide|N1-Acetylspermidine http://purl.obolibrary.org/obo/CHEBI_17927 3_STAR
CHEBI:17928 biolink:ChemicalSubstance 1-amino-1-deoxy-scyllo-inositol 4-phosphate A scyllo-inositol phosphate having a monophosphate group at the 4-position as well as the hydroxy group at the 1-position replaced by an amino group. KEGG:C01283 phenio.json 1-Amino-1-deoxy-scyllo-inositol 4-phosphate|1-amino-1-deoxy-scyllo-inositol 4-(dihydrogen phosphate)|1-amino-1-deoxy-scyllo-inositol 4-phosphate|scyllo-Inosamine 4-phosphate http://purl.obolibrary.org/obo/CHEBI_17928 3_STAR
CHEBI:17929 biolink:ChemicalSubstance N(omega),N(omega)-dimethyl-L-arginine A L-arginine derivative having two methyl groups both attached to the primary amino moiety of the guanidino group. Beilstein:2261521|CAS:30315-93-6|DrugBank:DB01686|KEGG:C03626|PDBeChem:DA2 phenio.json (2S)-2-amino-5-(N',N'-dimethylcarbamimidamido)pentanoic acid|(2S)-2-amino-5-{[(dimethylamino)(imino)methyl]amino}pentanoic acid|ADMA|N(5)-((dimethylamino)iminomethyl)-L-ornithine|N(5)-(N,N-dimethylcarbamimidoyl)-L-ornithine|N(5)-[(dimethylamino)(imino)methyl]-L-ornithine|N(G),N(G)-dimethylarginine|N(G)-dimethylarginine|N(G1),N(G1)-dimethylarginine|N,N-dimethylarginine|NG,NG-DIMETHYL-L-ARGININE|NG,NG-Dimethyl-L-arginine|asymmetric dimethylarginine|guanidino-N,N-dimethylarginine http://purl.obolibrary.org/obo/CHEBI_17929 3_STAR
CHEBI:17931 biolink:ChemicalSubstance N-hydroxy-2-acetamidofluorene CAS:53-95-2|KEGG:C03954 phenio.json 2-(N-Acetylhydroxylamino)fluorene|2-(N-Hydroxyacetamido)fluorene|Fluorenyl-2-acethydroxamic acid|Hydroxyacetylaminofluorene|N-(9H-fluoren-2-yl)-N-hydroxyacetamide|N-Fluoren-2-ylacetohydroxamic acid|N-Hydroxy-2-acetamidofluorene|N-Hydroxy-N-acetyl-2-aminofluorene|N-hydroxy-2-acetamidofluorene http://purl.obolibrary.org/obo/CHEBI_17931 3_STAR
CHEBI:17933 biolink:ChemicalSubstance calcidiol A hydroxycalciol that is calciol in which the hydrogen at position 25 has been replaced by a hydroxy group. A prehormone resulting from the oxidation of calciol in the liver, it is further hydroxylated in the kidney to give calcitriol, the active form of vitamin D3. CAS:19356-17-3|DrugBank:DB00146|Drug_Central:464|KEGG:C01561|LIPID_MAPS_instance:LMST03020246|PDBeChem:VDY|PMID:16549446|PMID:18689406|PMID:22487892|PMID:22536761|PMID:23090338|PMID:23566108|PMID:9080330|Reaxys:4270041|Wikipedia:Calcifediol phenio.json (3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol|(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,25-diol|(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol|(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-triene-3,25-diol|25(OH)D3|25-Hydroxyvitamin D3|25-hydroxycholecalciferol|25-hydroxyvitamin D3|3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL|Calcidiol|Calcifediol|Calcifediol anhydrous|Rayaldee|calcidiol|calcifediol|calcifediolum http://purl.obolibrary.org/obo/CHEBI_17933 3_STAR
CHEBI:17934 biolink:ChemicalSubstance pregnan-21-al KEGG:C00891 phenio.json Pregnan-21-al|pregnan-21-al http://purl.obolibrary.org/obo/CHEBI_17934 3_STAR
CHEBI:17935 biolink:ChemicalSubstance octanal A saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). BPDB:1387|CAS:124-13-0|Gmelin:101464|HMDB:HMDB0001140|KEGG:C01545|KNApSAcK:C00030880|LIPID_MAPS_instance:LMFA06000028|MetaCyc:CPD-371|PDBeChem:OYA|PMID:24001856|PMID:24130214|PMID:24295708|Patent:US2012164085|Reaxys:1744086|UM-BBD_compID:c0046|Wikipedia:Octanal phenio.json 1-Caprylaldehyde|1-Octaldehyde|1-Octanal|1-Octylaldehyde|C-8 aldehyde|Caprylaldehyd|Kaprylaldehyd|Octylaldehyd|Oktanal|Oktylaldehyd|aldehyde C-8|caprylaldehyde|caprylic aldehyde|n-caprylaldehyde|n-octaldehyde|n-octanal|n-octyl aldehyde|n-octylal|octan-1-al|octanal|octanaldehyde|octanoic aldehyde|octylaldehyde http://purl.obolibrary.org/obo/CHEBI_17935 3_STAR
CHEBI:17936 biolink:ChemicalSubstance 2-acyl-sn-glycero-3-phosphate An acyl-sn-glycero-3-phosphate in which a single acyl substituent is located at position 2. KEGG:C03974|LIPID_MAPS_instance:LMGP1005AA00|MetaCyc:1-Lysophosphatidates|PMID:20551224 phenio.json 2-Acyl-sn-glycerol 3-phosphate|2-acyl-sn-glycero-3-phosphates|2-acyl-sn-glycerol 3-phosphates http://purl.obolibrary.org/obo/CHEBI_17936 3_STAR
CHEBI:17937 biolink:ChemicalSubstance L-rhamnono-1,4-lactone A five-membered rhamnonolactone having L-configuration. KEGG:C02991 phenio.json (3R,4S,5S)-3,4-dihydroxy-5-[(1S)-1-hydroxyethyl]oxolan-2-one|6-deoxy-L-mannono-1,4-lactone|L-Rhamno-1,4-lactone|L-Rhamnono-1,4-lactone|L-rhamnono-1,4-lactone http://purl.obolibrary.org/obo/CHEBI_17937 3_STAR
CHEBI:17938 biolink:ChemicalSubstance 5alpha-ergosta-7,22-diene-3beta,5-diol KEGG:C04416 phenio.json 5alpha-Ergosta-7,22-diene-3beta,5-diol|5alpha-ergosta-7,22-diene-3beta,5-diol http://purl.obolibrary.org/obo/CHEBI_17938 3_STAR
CHEBI:17939 biolink:ChemicalSubstance puromycin An aminonucleoside antibiotic, derived from the Streptomyces alboniger bacterium, that causes premature chain termination during translation taking place in the ribosome. CAS:53-79-2|DrugBank:DB08437|KEGG:C01610|KEGG:D05653|KNApSAcK:C00001507|LINCS:LSM-2788|PMID:13945541|PMID:15843471|PMID:18322149|PMID:323854|Reaxys:70234|Wikipedia:Puromycin phenio.json (S)-3'-((2-Amino-3-(4-methoxyphenyl)-1-oxopropyl)amino)-3'-deoxy-N,N-dimethyladenosine|3'-(L-alpha-Amino-p-methoxyhydrocinnamamido)-3'-deoxy-N,N-dimethyladenosine|3'-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3'-deoxy-N,N-diemthyladenosine|3'-deoxy-N,N-dimethyl-3'-(O-methyl-L-tyrosinamido)adenosine|9-{3-deoxy-3-[(O-methyl-L-tyrosyl)amino]-beta-D-xylofuranosyl}-N,N-dimethyl-9H-purin-6-amine|Achromycin|Puromycin|puromicina|puromycin|puromycine|puromycinum http://purl.obolibrary.org/obo/CHEBI_17939 3_STAR
CHEBI:17941 biolink:ChemicalSubstance diisopropyl fluorophosphate CAS:55-91-4|DrugBank:DB00677|Drug_Central:1494|KEGG:C00202|KEGG:D00043|Wikipedia:Isoflurophate phenio.json DFP|Diisopropoxyphosphoryl fluoride|Diisopropyl fluorophosphate|Diisopropyl fluorophosphonate|Diisopropyl phosphofluoridate|Diisopropyl phosphorofluoridate|Diisopropylfluorophosphate|Diisopropylfluorophosphoric acid ester|Diisopropylphosphorofluoridate|Fluorodiisopropyl phosphate|Isofluorphate|Isoflurophate|Isoflurophosphate|Isopropyl fluophosphate|Isopropyl phosphorofluoridate|Neoglaucit|O,O'-Diisopropyl phosphoryl fluoride|bis(propan-2-yl) fluorophosphate|diisopropyl fluorophosphate http://purl.obolibrary.org/obo/CHEBI_17941 3_STAR
CHEBI:17942 biolink:ChemicalSubstance D-allose 6-phosphate An allose phosphate consisting of D-allose having a monophosphate group at the 6-position. KEGG:C02962 phenio.json 6-O-phosphono-D-allose|D-Allose 6-phosphate|D-allose 6-(hydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17942 3_STAR
CHEBI:17943 biolink:ChemicalSubstance (S)-2-O-sulfolactic acid KEGG:C02914 phenio.json (2S)-2-(sulfooxy)propanoic acid|(S)-2-O-Sulfolactate|(S)-2-O-sulfolactate http://purl.obolibrary.org/obo/CHEBI_17943 3_STAR
CHEBI:17945 biolink:ChemicalSubstance N-cyclohexylformamide A member of the class of formamides that is cyclohexane substituted by a formamido group. CAS:766-93-8|DrugBank:DB03559|Gmelin:1650668|KEGG:C11519|MetaCyc:N-CYCLOHEXYLFORMAMIDE|PDBeChem:CXF|PMID:11882632|PMID:20733993|PMID:9132002|PMID:9760265|Reaxys:2040181|UM-BBD_compID:c0909 phenio.json CYCLOHEXYLFORMAMIDE|N-Cyclohexylformamid|N-Cyclohexylformamide|N-Zyklohexylformamid|N-cyclohexylformamide|N-formylcyclohexylamine|formamidocyclohexane http://purl.obolibrary.org/obo/CHEBI_17945 3_STAR
CHEBI:17947 biolink:ChemicalSubstance 3-dehydroquinic acid A 4-oxo monocarboxylic acid derived from quinic acid by oxidation of the hydroxy group at position 3 to the corresponding keto group. DrugBank:DB03868|HMDB:HMDB0012710|KEGG:C00944|KNApSAcK:C00019664|MetaCyc:DEHYDROQUINATE|PDBeChem:DQA|PMID:11603966|PMID:13198937|PMID:14269300|PMID:14524706|Reaxys:2115114|Wikipedia:3-Dehydroquinic_acid phenio.json 3-Dehydroquinic acid|5-Dehydroquinic acid|rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylic acid http://purl.obolibrary.org/obo/CHEBI_17947 3_STAR
CHEBI:17948 biolink:ChemicalSubstance (+)-taxifolin A taxifolin that has (2R,3R)-configuration. Beilstein:93548|CAS:480-18-2|DrugBank:DB02224|KEGG:C01617|KNApSAcK:C00000677|LINCS:LSM-5990|PDBeChem:DQH|Wikipedia:Taxifolin phenio.json (+)-Dihydroquercetin|(+)-Taxifolin|(2R,3R)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one|(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one|(2R,3R)-dihydroquercetin|(2R-trans)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyrone|Dihydroquercetin|Taxifolin|trans-Dihydroquercetin http://purl.obolibrary.org/obo/CHEBI_17948 3_STAR
CHEBI:17950 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingosine A diosylceramide having beta-D-galactosyl-(1->4)-beta-D-glucose as the disaccharide component. KEGG:C01290|KEGG:G00092|LIPID_MAPS_instance:LMSP0501AB00|MetaCyc:Lactosyl-Ceramides|PMID:10320813|PMID:10685614|PMID:11946769|PMID:14631106|PMID:1551920|PMID:15546874|PMID:15918012|PMID:16341241|PMID:16631151|PMID:1724444|PMID:17986153|PMID:18041581|PMID:19015977|PMID:19721395|PMID:19852959|PMID:2026613|PMID:20574042|PMID:21167756|PMID:21376640|PMID:21687659|PMID:27242221|PMID:2960671|PMID:3112159|PMID:3392043|PMID:3759974|PMID:7534889|PMID:9593693 phenio.json (2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside|(Gal)1 (Glc)1 (Cer)1|D-Galactosyl-1,4-beta-D-glucosylceramide|Gal-beta1->4Glc-beta1->1'Cer|Galbeta1-4Glcbeta-Cer|LacCer|Lactosyl-N-acylsphingosine|Lactosylceramide|N-[(2S,3R,4E)-1-{[beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide|N-lignoceroyl-1-sphingosyl lactoside|a beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer(d18:1(4E))|beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer|beta-D-Galactosyl-1,4-beta-D-glucosylceramide|beta-D-Galp-(1->4)-beta-D-Glc-(1<->)-Cer|beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide|beta-D-galactosyl-(1->4)-beta-D-glucosylceramides|beta-D-galactosyl-1,4-beta-D-glucosylceramide|beta-D-galactosyl-1,4-beta-D-glucosylceramides|beta-lactosylceramide|lactosylceramides http://purl.obolibrary.org/obo/CHEBI_17950 3_STAR
CHEBI:17952 biolink:ChemicalSubstance flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]s Any glycosyloxyflavone that consists of a flavonol attached to a rhamnosylglucosyl residue at position 3 via a glycosidic linkage. KEGG:C04194 phenio.json 4-oxo-2-phenyl-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|Flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside]|Flavonol 3-O-rutinoside|a flavonol 3-O-[alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] http://purl.obolibrary.org/obo/CHEBI_17952 3_STAR
CHEBI:17953 biolink:ChemicalSubstance xanthopterin-B2 A member of the class of pteridines that is 7,8-dihydropteridine-2,4(1H,3H)-dione carrying a lactoyl group at position 6. CAS:14331-49-8|KEGG:C02333|MetaCyc:CPD-1127 phenio.json 1-(7,8-Dihydro-2,4-dihydroxypteridin-6-yl)-2-hydroxypropan-1-one|6-lactoyl-7,8-dihydropteridine-2,4(1H,3H)-dione|Xanthopterin-B2|xanthopterin-B2 http://purl.obolibrary.org/obo/CHEBI_17953 3_STAR
CHEBI:17954 biolink:ChemicalSubstance 1-alpha-D-galactosyl-sn-glycerol 3-phosphate A galactosylglycerol phosphate compond having an alpha-D-galactosyl residue attached to the 1-position of an sn-glycerol 3-phosphate KEGG:C04703 phenio.json (2R)-3-(alpha-D-galactopyranosyloxy)-2-hydroxypropyl dihydrogen phosphate|1-(alpha-D-galactopyranosyl)-sn-glycerol 3-(dihydrogen phosphate)|1-O-alpha-D-Galactosyl-sn-glycerol 3-phosphate|alpha-D-Galactosyl-(1,1')-sn-glycerol 3-phosphate http://purl.obolibrary.org/obo/CHEBI_17954 3_STAR
CHEBI:179548 biolink:ChemicalSubstance Ethyl 2-ethylhexanoate CAS:2983-37-1|Chemspider:92970|HMDB:HMDB0032264|LIPID_MAPS_instance:LMFA07010855 phenio.json ethyl 2-ethylhexanoate http://purl.obolibrary.org/obo/CHEBI_179548 2_STAR
CHEBI:17955 biolink:ChemicalSubstance 2'-deoxyribonucleoside diphosphate KEGG:C04232 phenio.json 2'-Deoxyribonucleoside diphosphate|2'-deoxyribonucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_17955 3_STAR
CHEBI:17957 biolink:ChemicalSubstance 5-(2-hydroxyethyl)-4-methylthiazole A 1,3-thiazole that is thiazole substituted by a methyl group at position 4 and a 2-hydroxyethyl group at position 5. CAS:137-00-8|HMDB:HMDB0032985|KEGG:C04294|KNApSAcK:C00007610|MetaCyc:THZ|PDBeChem:TZE|PMID:543872|Reaxys:114249 phenio.json 2-(4-methyl-1,3-thiazol-5-yl)ethanol|4-Methyl-5-(2'-hydroxyethyl)-thiazole|4-Methyl-5-(2-hydroxyethyl)-thiazole|4-Methyl-5-thiazolethanol|4-methyl-5-(2'-hydroxyethyl)-thiazole|5-(2-Hydroxyethyl)-4-methylthiazole|5-(2-hydroxyethyl)-4-methylthiazole|Hemineurine http://purl.obolibrary.org/obo/CHEBI_17957 3_STAR
CHEBI:17958 biolink:ChemicalSubstance alkyl cinnamate A cinnamate ester rusulting from the formal condensation of cinnamic acid with any alkyl alcohol. KEGG:C06357|PMID:16608217|PMID:16968063|PMID:22414757|PMID:25145249 phenio.json alkyl 3-phenylacrylate|alkyl cinnamates|an alkyl cinnamate http://purl.obolibrary.org/obo/CHEBI_17958 3_STAR
CHEBI:17959 biolink:ChemicalSubstance oxidized Renilla luciferin An aromatic amide obtained by formal condensation of the carboxy group of phenylacetic acid with the exocyclic amino group of 4-(5-amino-6-benzylpyrazin-2-yl)phenol. KEGG:C03717|MetaCyc:OXIDIZED-LUCIFERIN|Reaxys:711884 phenio.json N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-phenylacetamide|Oxidized Renilla luciferin|excited coelenteramide h http://purl.obolibrary.org/obo/CHEBI_17959 3_STAR
CHEBI:17960 biolink:ChemicalSubstance 3-oxopropanoic acid Beilstein:1741700|CAS:926-61-4|Gmelin:164397|KEGG:C00222 phenio.json 3-oxopropanoic acid|formylacetic acid|malonic semialdehyde http://purl.obolibrary.org/obo/CHEBI_17960 3_STAR
CHEBI:17961 biolink:ChemicalSubstance farnesyl triphosphate A polyprenol triphosphate where the polyprenol component is farnesol. KEGG:C03115|LIPID_MAPS_instance:LMPR03010006 phenio.json 3,7,11-trimethyldodeca-2,6,10-trien-1-yl tetrahydrogen triphosphate|Farnesyl triphosphate|farnesol triphosphate http://purl.obolibrary.org/obo/CHEBI_17961 3_STAR
CHEBI:17962 biolink:ChemicalSubstance CDP-diacylglycerol A CDP-glycerol having unspecified acyl groups (most commonly fatty acyl groups) at the 1- and 2-positions. KEGG:C00269|LIPID_MAPS_instance:LMGP13010000|PMID:12950685 phenio.json 1,2-Diacyl-sn-glycero-3-cytidine-5'-diphosphate|CDP-1,2-diacylglycerol|CDP-DAG|CDP-diacylglycerols|CDPdiacylglycerol|cytidine 5'-(3-{1-[(2S)-2,3-bis(acyloxy)propyl]} trihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_17962 3_STAR
CHEBI:17963 biolink:ChemicalSubstance 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine A tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4. CAS:28289-54-5|KEGG:C04599|PMID:21798732|PMID:21830164|PMID:22393538|PMID:23296790|Reaxys:133712|Wikipedia:MPTP phenio.json 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine|1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine|MPTP http://purl.obolibrary.org/obo/CHEBI_17963 3_STAR
CHEBI:17964 biolink:ChemicalSubstance pipecolic acid A piperidinemonocarboxylic acid in which the carboxy group is located at position C-2. Beilstein:112883|CAS:535-75-1|ECMDB:ECMDB21385|Gmelin:68953|HMDB:HMDB0000070|PMID:22770225|Reaxys:81095|Wikipedia:Pipecolic_acid|YMDB:YMDB01675 phenio.json 2-piperidinecarboxylic acid|homoproline|pipecolinic acid|piperidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_17964 3_STAR
CHEBI:17965 biolink:ChemicalSubstance isoorientin A flavone C-glycoside consisting of luteolin having a beta-D-glucosyl residue at the 6-position. CAS:4261-42-1|KEGG:C01821|KNApSAcK:C00001055|LIPID_MAPS_instance:LMPK12110469|PMID:21080643|PMID:22529049|PMID:22948221|PMID:22980875|PMID:23026832|PMID:23220614|Reaxys:68256|Wikipedia:Isoorientin phenio.json (1S)-1,5-anhydro-1-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-D-glucitol|2-(3,4-dihydroxyphenyl)-6-beta-D-glucopyranosyl-5,7-dihydroxy-4H-1-benzopyran-4-one|Homoorientin|Isoorientin|Luteolin-6-C-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_17965 3_STAR
CHEBI:17966 biolink:ChemicalSubstance cyclohexyl isocyanide An isocyanide having a cyclohexyl group attached to nitrogen. CAS:931-53-3|KEGG:C11520 phenio.json Cyclohexaneisonitrile|Cyclohexyl isocyanide|N-Cyclohexylisocyanide|cyclohexyl isocyanide|isocyanocyclohexane http://purl.obolibrary.org/obo/CHEBI_17966 3_STAR
CHEBI:17967 biolink:ChemicalSubstance urethane A carbamate ester obtained by the formal condensation of ethanol with carbamic acid. It has been found in alcoholic beverages. CAS:51-79-6|DrugBank:DB04827|HMDB:HMDB0031219|KEGG:C01537|LINCS:LSM-37020|PMID:15790490|PMID:24386880|Reaxys:635810|Wikipedia:Ethyl_carbamate phenio.json Ethyl carbamate|Urethane|carbamic acid ethyl ester|ethyl carbamate|urethane http://purl.obolibrary.org/obo/CHEBI_17967 3_STAR
CHEBI:17968 biolink:ChemicalSubstance butyrate A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group. CAS:461-55-2|Gmelin:324289|KEGG:C00246|MetaCyc:BUTYRIC_ACID|PMID:17190852|PMID:7496326|Reaxys:3601060|UM-BBD_compID:c0035 phenio.json 1-butanoate|1-butyrate|1-propanecarboxylate|CH3-[CH2]2-COO(-)|butanate|butanoate|butanoic acid, ion(1-)|butyrate|n-butanoate|n-butyrate|propanecarboxylate|propylformate http://purl.obolibrary.org/obo/CHEBI_17968 3_STAR
CHEBI:17969 biolink:ChemicalSubstance sedoheptulose 1,7-bisphosphate Beilstein:4271614|CAS:815-91-8|KEGG:C00447 phenio.json D-Sedoheptulose 1,7-bisphosphate|D-altro-Heptulose 1,7-biphosphate|D-altro-hept-2-ulose 1,7-bis(dihydrogen phosphate)|Sedoheptulose 1,7-bisphosphate|altro-Heptulose 1,7-biphosphate http://purl.obolibrary.org/obo/CHEBI_17969 3_STAR
CHEBI:17970 biolink:ChemicalSubstance N-acyl-D-mannosaminolactone phenio.json an N-acyl-D-mannosaminolactone http://purl.obolibrary.org/obo/CHEBI_17970 3_STAR
CHEBI:17972 biolink:ChemicalSubstance ribonucleoside triphosphate KEGG:C03802 phenio.json Ribonucleoside triphosphate|ribonucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_17972 3_STAR
CHEBI:17973 biolink:ChemicalSubstance alpha-D-galactose 1-phosphate A D-galactopyranose 1-phosphate having alpha-configuration at the anomeric centre. CAS:2255-14-3|DrugBank:DB02317|HMDB:HMDB0000645|KEGG:C00446|KNApSAcK:C00007391|MetaCyc:GALACTOSE-1P|PDBeChem:GL1|PMID:8154046|Reaxys:87854|Wikipedia:Galactose_1-phosphate phenio.json 1-O-phosphono-alpha-D-galactopyranose|Galactose-1-phosphate|alpha-D-Gal-1-P|alpha-D-Galactopyranose 1-phosphate|alpha-D-Galactopyranose, 1-(dihydrogen phosphate)|alpha-D-Galactopyranosyl phosphate|alpha-D-Galactose 1-phosphate|alpha-D-Galactosyl phosphate|alpha-D-galactopyranose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17973 3_STAR
CHEBI:17975 biolink:ChemicalSubstance 5,10-(methanylylidene)tetrahydromethanopterin A tetrahydromethanopterin having a methanylylidene joined to the nitrogens at the 5- and 10-positions. KEGG:C04330|UM-BBD_compID:c0349 phenio.json 1-{4-[(6S,6aR,7R)-3-amino-6,7-dimethyl-1-oxo-1,2,5,6,6a,7-hexahydro-8H-imidazo[1,5-f]pteridin-10-ium-8-yl]phenyl}-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-alpha-D-ribofuranosyl)-D-ribitol|5,10-(methanylylidene)tetrahydromethanopterin|5,10-Methenyl-5,6,7,8-tetrahydromethanopterin|5,10-Methenyltetrahydromethanopterin|N5,N10-Methenyltetrahydromethanopterin http://purl.obolibrary.org/obo/CHEBI_17975 3_STAR
CHEBI:17976 biolink:ChemicalSubstance ubiquinol CAS:56275-39-9|KEGG:C00390 phenio.json CoQH2|QH(2)|QH2|Ubiquinol|a ubiquinol|coenzymes QH2|reduced ubiquinone|ubiquinols http://purl.obolibrary.org/obo/CHEBI_17976 3_STAR
CHEBI:17977 biolink:ChemicalSubstance 1,4-benzosemiquinone A member of the class of benzosemiquinones which results from the removal of one hydrogen atom with its electron from hydroquinone (or from the addition of one hydrogen atom with its electron to p-benzoquinone). KEGG:C02389|Reaxys:2040548 phenio.json (4-hydroxyphenyl)oxidanyl|1,4-benzosemiquinone|1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl|4-Hydroxyphenoxy radical|4-hydroxyphenyloxyl|Benzosemiquinone|benzosemiquinone|hydroquinone radical|p-Benzosemiquinone|p-benzosemiquinone radical|semiquinone radical http://purl.obolibrary.org/obo/CHEBI_17977 3_STAR
CHEBI:17978 biolink:ChemicalSubstance 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid Beilstein:180967|KEGG:C04604 phenio.json 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate|5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid http://purl.obolibrary.org/obo/CHEBI_17978 3_STAR
CHEBI:17979 biolink:ChemicalSubstance aldehydo-L-xylose A xylose of ring-opened form having L-configuration. CAS:609-06-3|GlyTouCan:G41915IH|PMID:12596851|Reaxys:1723080 phenio.json L(+)-Xylose|L-Xyl|L-Xylofuranose|L-Xylose|L-xylo-pentose|L-xylose|WURCS=2.0/1,1,0/[o121h]/1/ http://purl.obolibrary.org/obo/CHEBI_17979 3_STAR
CHEBI:17980 biolink:ChemicalSubstance 3'-phospho-5'-adenylyl sulfate An adenosine bisphosphate having monophosphate groups at the 3'- and 5'-positions and a sulfo group attached to the phosphate at position 5'. CAS:482-67-7|KEGG:C00053|KNApSAcK:C00007446|PDBeChem:PPS phenio.json 3'-O-phosphono-5'-adenylyl sulfate|3'-Phospho-5'-adenylyl sulfate|3'-Phosphoadenosine 5'-phosphosulfate|3'-Phosphoadenylyl sulfate|3'-phospho-5'-adenylyl sulfate|3'-phosphoadenosine 5'-phosphosulfate|PAPS http://purl.obolibrary.org/obo/CHEBI_17980 3_STAR
CHEBI:17981 biolink:ChemicalSubstance O-acetyl-L-serine An acetyl-L-serine where the acetyl group is attached to the side-chain oxygen. It is an intermediate in the biosynthesis of the amino acid cysteine in bacteria. CAS:5147-00-2|DrugBank:DB01837|HMDB:HMDB0003011|KEGG:C00979|KNApSAcK:C00007459|MetaCyc:ACETYLSERINE|PDBeChem:OAS|PMID:23483228|Reaxys:1723791|Wikipedia:O-Acetylserine phenio.json L-Serine, acetate (ester)|O-Acetyl-L-serine|O-acetyl-L-serine|O3-Acetyl-L-serine|O3-acetyl-L-serine http://purl.obolibrary.org/obo/CHEBI_17981 3_STAR
CHEBI:17982 biolink:ChemicalSubstance 6-acetamido-3-oxohexanoate KEGG:C03682 phenio.json 6-acetamido-3-oxohexanoate http://purl.obolibrary.org/obo/CHEBI_17982 3_STAR
CHEBI:17983 biolink:ChemicalSubstance UDP-L-arabinose A UDP-sugar having L-arabinose as the sugar component. KEGG:C00935|KEGG:G11111 phenio.json UDP-L-arabinopyranose|UDP-L-arabinose|uridine 5'-[3-(L-arabinopyranosyl) dihydrogen diphosphate]|uridine 5'-diphospho-L-arabinopyranose http://purl.obolibrary.org/obo/CHEBI_17983 3_STAR
CHEBI:17984 biolink:ChemicalSubstance acyl-CoA A thioester that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any carboxylic acid. KEGG:C00040|PMID:11264983|PMID:11524729|PMID:16495773|PMID:21514367|PMID:21541677 phenio.json Acyl coenzyme A|Acyl-CoA http://purl.obolibrary.org/obo/CHEBI_17984 3_STAR
CHEBI:17985 biolink:ChemicalSubstance adenosine 3',5'-bismonophosphate An adenosine bisphosphate having two monophosphate groups at the 3'- and 5'-positions. CAS:1053-73-2|KEGG:C00054|KNApSAcK:C00019352|PDBeChem:A3P phenio.json 3'-Phosphoadenylate|3'-phosphoadenylate|Adenosine 3',5'-bisphosphate|PAP|Phosphoadenosine phosphate|adenosine 3',5'-bis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_17985 3_STAR
CHEBI:17987 biolink:ChemicalSubstance benzyl alcohol An aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent. CAS:100-51-6|Drug_Central:334|Gmelin:26514|HMDB:HMDB0003119|KEGG:C00556|KEGG:C03485|KEGG:D00077|KNApSAcK:C00029811|MetaCyc:BENZYL-ALCOHOL|PMID:11766131|PMID:21557223|PMID:22036973|Reaxys:878307|UM-BBD_compID:c0278|Wikipedia:Benzyl_Alcohol phenio.json (hydroxymethyl)benzene|Aromatic alcohol|Benzenemethanol|Benzyl alcohol|Benzylalkohol|Hydroxymethylbenzene|Phenylcarbinol|Phenylmethanol|alcoholum benzylicum|alcool benzylique|alpha-Hydroxytoluene|alpha-toluenol|benzenecarbinol|benzyl alcohol|benzylic alcohol|phenylmethanol|phenylmethyl alcohol http://purl.obolibrary.org/obo/CHEBI_17987 3_STAR
CHEBI:17989 biolink:ChemicalSubstance daphnin CAS:486-55-5|KEGG:C01421 phenio.json 7-(beta-D-glucopyranosyloxy)-8-hydroxy-2H-chromen-2-one|7-(beta-D-glucopyranosyloxy)-8-hydroxycoumarin|7-beta-D-glucopyranosyloxy-8-hydroxy-2H-1-benzopyran-2-one|8-hydroxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside|Daphnin|daphnin http://purl.obolibrary.org/obo/CHEBI_17989 3_STAR
CHEBI:17990 biolink:ChemicalSubstance 1-O-(indol-3-ylacetyl)-beta-D-glucose Beilstein:496559|CAS:19817-95-9|KEGG:C04197 phenio.json 1-O-(1H-indol-3-ylacetyl)-beta-D-glucopyranose|1-O-(Indol-3-yl)acetyl-beta-D-glucose|1-O-(indol-3-ylacetyl)-beta-D-glucose|1-O-(indole-3-acetyl)-beta-1-D-glucose|1-O-Indol-3-ylacetyl-beta-D-glucose|1-O-Indol-3-ylacetylglucose|Iaa-glucose|Indole-3-acetyl-beta-1-D-glucose|Indole-3-acetyl-beta-1-D-glucoside|beta-D-glucopyranose, 1-(1H-indole-3-acetate)|indole-3-acetic acid beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_17990 3_STAR
CHEBI:179906 biolink:ChemicalSubstance 3-Phenylpropyl propanoate CAS:122-74-7|Chemspider:55011|HMDB:HMDB0036388 phenio.json 3-phenylpropyl propanoate http://purl.obolibrary.org/obo/CHEBI_179906 2_STAR
CHEBI:179916 biolink:ChemicalSubstance Senkyunolide CAS:63038-10-8|Chemspider:2342201|KEGG:C17853 phenio.json (3S)-3-butyl-4,5-dihydro-3H-2-benzouran-1-one http://purl.obolibrary.org/obo/CHEBI_179916 2_STAR
CHEBI:17992 biolink:ChemicalSubstance sucrose A glycosyl glycoside formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose. CAS:57-50-1|DrugBank:DB02772|Drug_Central:4610|Gmelin:97695|HMDB:HMDB0000258|KEGG:C00089|KEGG:D00025|KEGG:D06533|KEGG:G00370|KNApSAcK:C00001151|MetaCyc:SUCROSE|PDBeChem:SUC|PMID:11021636|PMID:11093712|PMID:11111003|PMID:12065720|PMID:12706980|PMID:13508893|PMID:15291457|PMID:15660210|PMID:15792978|PMID:15845855|PMID:16228482|PMID:16304615|PMID:16313996|PMID:16525719|PMID:16660545|PMID:16663947|PMID:16665852|PMID:17233733|PMID:17439666|PMID:17597061|PMID:18625236|PMID:19199566|PMID:19726178|PMID:21703290|PMID:21972845|PMID:22085755|PMID:22311778|PMID:22404833|PMID:22751876|Reaxys:1435311|Reaxys:90825|Wikipedia:Sucrose phenio.json 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside|Cane sugar|SUCROSE|Saccharose|Sacharose|Sucrose|White sugar|beta-D-Fruf-(2<->1)-alpha-D-Glcp|beta-D-fructofuranosyl alpha-D-glucopyranoside|sacarosa|sucrose|table sugar http://purl.obolibrary.org/obo/CHEBI_17992 3_STAR
CHEBI:17993 biolink:ChemicalSubstance 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine A pyridinium ion that is L-alanine in which a methyl hydrogen is replaced by a 3,4-dioxidopyridinium-1-yl group. KEGG:C04446 phenio.json 3-(3,4-Dihydroxypyridin-1-yl)-L-alanine|3-(3,4-dihydroxypyridin-1-yl)-L-alanine|3-(3,4-dihydroxypyridinium-1-yl)-L-alanine http://purl.obolibrary.org/obo/CHEBI_17993 3_STAR
CHEBI:17994 biolink:ChemicalSubstance D-ribose 1,5-bisphosphate A ribose bisphosphate that consists of D-ribose having two monophosphate groups at the 1- and 5-positions. CAS:14689-84-0|KEGG:C01151 phenio.json 1,5-di-O-phosphono-D-ribofuranose|D-Ribofuranose, 1,5-bis(dihydrogen phosphate)|D-Ribose 1,5-bisphosphate|D-ribofuranose 1,5-bis(dihydrogen phosphate)|Ribose-1,5-bisphosphate|Ribose-1,5-diphosphate http://purl.obolibrary.org/obo/CHEBI_17994 3_STAR
CHEBI:17996 biolink:ChemicalSubstance chloride A halide anion formed when chlorine picks up an electron to form an an anion. Beilstein:3587171|CAS:16887-00-6|FooDB:FDB006557|Gmelin:14910|HMDB:HMDB0000492|KEGG:C00698|MetaCyc:CL-|PDBeChem:CL|PMID:38280867|PMID:38573803|PMID:38604039|UM-BBD_compID:c0884|Wikipedia:Chloride phenio.json CHLORIDE ION|Chloride|Chloride ion|Chloride(1-)|Chlorine anion|Cl(-)|Cl-|chloride|chloride(1-) http://purl.obolibrary.org/obo/CHEBI_17996 3_STAR
CHEBI:17997 biolink:ChemicalSubstance dinitrogen An elemental molecule consisting of two trivalently-bonded nitrogen atoms. CAS:7727-37-9|Drug_Central:4251|Gmelin:150|HMDB:HMDB0001371|KEGG:C00697|KEGG:D00083|MetaCyc:NITROGEN-MOLECULE|PDBeChem:HDZ|PMID:18334638|PMID:22237545|Reaxys:15940095|Wikipedia:Nitrogen phenio.json N#N|N2|Nitrogen|dinitrogen|molecular nitrogen http://purl.obolibrary.org/obo/CHEBI_17997 3_STAR
CHEBI:17998 biolink:ChemicalSubstance 4-methylpentanal CAS:1119-16-0|KEGG:C02373 phenio.json 4-Methyl valeraldehyde|4-Methylpentanal|4-methylpentanal|Isocaproaldehyde|Isohexanal http://purl.obolibrary.org/obo/CHEBI_17998 3_STAR
CHEBI:17999 biolink:ChemicalSubstance protein dithiol KEGG:C02315 phenio.json Protein dithiol|protein dithiols http://purl.obolibrary.org/obo/CHEBI_17999 3_STAR
CHEBI:18000 biolink:ChemicalSubstance aralkylamine An alkylamine in which the alkyl group is substituted by an aromatic group. KEGG:C01890|MetaCyc:Arylalkylamines|Wikipedia:Arylalkylamine phenio.json Aralkylamine|Arylalkylamine|aralkylamines http://purl.obolibrary.org/obo/CHEBI_18000 3_STAR
CHEBI:18002 biolink:ChemicalSubstance (-)-secologanin An iridoid monoterpenoid that is acetaldehyde in which on of the hydrogens of the methyl group has been replaced by a 2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-4-yl group which is substituted at positions 3 and 5 by a vinyl and a methoxycarbonyl group, respectively (the 2S,3R,4S stereoisomer). Beilstein:1441446|CAS:19351-63-4|KEGG:C01852|KNApSAcK:C00003098|LIPID_MAPS_instance:LMPR0102070002|MetaCyc:SECOLOGANIN-CPD|PDBeChem:SCG|PMID:24104568|PMID:26285573|Reaxys:1441446|Wikipedia:Secologanin phenio.json (-)-Secologanin|3-Ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-4-(2-oxoethyl)-2H-pyran-5-carboxylic acid, methyl ester|METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE|Secologanin|methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate|methyl (2S,3R,4S)-4-(formylmethyl)-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-vinyl-2H-pyran-5-carboxylate|secologanin http://purl.obolibrary.org/obo/CHEBI_18002 3_STAR
CHEBI:18003 biolink:ChemicalSubstance 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid A carboxy-2-hydroxymuconate semialdehyde having the carboxy group at the 3-position. KEGG:C04480 phenio.json 2-hydroxy-3-(3-oxoprop-1-enyl)but-2-enedioic acid|3-Carboxy-2-hydroxymuconate semialdehyde http://purl.obolibrary.org/obo/CHEBI_18003 3_STAR
CHEBI:18004 biolink:ChemicalSubstance D-hamamelose An aldopentose comprising D-ribose having a hydroxymethyl group at the 2-position. CAS:4573-78-8|KEGG:C01906 phenio.json 2-C-(hydroxymethyl)-D-ribose|2-C-Hydroxymethyl-D-ribose|D-Hamamelose|D-hamamelose http://purl.obolibrary.org/obo/CHEBI_18004 3_STAR
CHEBI:18005 biolink:ChemicalSubstance keto-phenylpyruvate A 2-oxo monocarboxylic acid anion resulting from deprotonation of the carboxy group of keto-phenylpyruvic acid. Beilstein:3944391|Gmelin:847922|KEGG:C00166|MetaCyc:PHENYL-PYRUVATE phenio.json 2-oxo-3-phenylpropanoate|3-(4-hydroxyphenyl)pyruvate|3-phenyl-2-oxopropanoate|3-phenylpyruvate http://purl.obolibrary.org/obo/CHEBI_18005 3_STAR
CHEBI:18007 biolink:ChemicalSubstance 3-[hydroxy(oxido)phosphoranyl]pyruvic acid Beilstein:4965716|CAS:144705-32-8|KEGG:C06368 phenio.json (2-carboxy-2-oxoethyl)hydroxyphosphine oxide|(Hydroxyphosphinyl)pyruvate|(hydroxyphosphinyl)pyruvic acid|3-(Hydrohydroxyphosphoryl)pyruvate|3-[hydroxy(oxido)-lambda(5)-phosphanyl]-2-oxopropanoic acid|3-[hydroxy(oxido)phosphino]-2-oxopropanoic acid|3-[hydroxy(oxido)phosphoranyl]-2-oxopropanoic acid|OHPPA http://purl.obolibrary.org/obo/CHEBI_18007 3_STAR
CHEBI:18009 biolink:ChemicalSubstance NADP(+) Beilstein:3645734|CAS:53-59-8|COMe:MOL000029|KEGG:C00006|PDBeChem:NAP phenio.json 2'-O-phosphonoadenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}|NADP|NADP+|Nicotinamide adenine dinucleotide phosphate|TPN|Triphosphopyridine nucleotide|beta-Nicotinamide adenine dinucleotide phosphate|beta-nicotinamide adenine dinucleotide phosphate|oxidized nicotinamide-adenine dinucleotide phosphate http://purl.obolibrary.org/obo/CHEBI_18009 3_STAR
CHEBI:18010 biolink:ChemicalSubstance 3',4',5-trihydroxy-3,7-dimethoxyflavone A dimethoxyflavone that the 3,7-di-O-methyl derivative of quercetin. CAS:2068-02-2|KEGG:C01265|KNApSAcK:C00004638|MetaCyc:345-TRIHYDROXY-37-DIMETHOXYFLAVONE|PMID:19031255|PMID:2632060|Reaxys:338444 phenio.json 2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4-benzopyrone|2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-chromen-4-one|3',4',5-Trihydroxy-3,7-dimethoxyflavone|3,7-Di-O-methylquercetin|3,7-O-dimethylquercetin http://purl.obolibrary.org/obo/CHEBI_18010 3_STAR
CHEBI:18011 biolink:ChemicalSubstance androstane-3alpha,17beta-diol Beilstein:5262418|KEGG:C03852 phenio.json Androstan-3alpha,17beta-diol|androstan-3alpha,17beta-diol|androstane-3alpha,17beta-diol http://purl.obolibrary.org/obo/CHEBI_18011 3_STAR
CHEBI:18012 biolink:ChemicalSubstance fumaric acid A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle. CAS:110-17-8|DrugBank:DB01677|Drug_Central:3229|FooDB:FDB003291|Gmelin:49855|HMDB:HMDB0000134|KEGG:C00122|KEGG:D02308|KNApSAcK:C00001183|MetaCyc:FUM|PDBeChem:FUM|PMID:17439666|PMID:21414846|PMID:22113915|PMID:22217732|PMID:22516248|PMID:23472183|PPDB:1347|Reaxys:605763|Wikipedia:Fumaric_Acid phenio.json (2E)-2-butenedioic acid|(2E)-but-2-enedioic acid|(E)-2-butenedioic acid|E297|FUMARIC ACID|Fumaric acid|Fumarsaeure|trans-1,2-ethylenedicarboxylic acid|trans-Butenedioic acid|trans-but-2-enedioic acid|trans-ethene-1,2-dioic acid http://purl.obolibrary.org/obo/CHEBI_18012 3_STAR
CHEBI:18013 biolink:ChemicalSubstance 4-O-feruloyl-D-quinic acid The 4-O-feruloyl derivative of D-quinic acid. KEGG:C02572|Reaxys:2779349 phenio.json (1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid|O-Feruloylquinate http://purl.obolibrary.org/obo/CHEBI_18013 3_STAR
CHEBI:18014 biolink:ChemicalSubstance CMP-3-deoxy-alpha-D-manno-octulosonic acid A CMP-sugar having 3-deoxy-alpha-D-manno-octulosonic acid as the sugar component. phenio.json CMP-KDO|cytidine 5'-[(3-deoxy-alpha-D-manno-oct-2-ulopyranosonyl) hydrogen phosphate] http://purl.obolibrary.org/obo/CHEBI_18014 3_STAR
CHEBI:18015 biolink:ChemicalSubstance oxidized Latia luciferin A methyl ketone in which the keto group is attached to a 2-(2,6,6-trimethylcyclohex-1-en-1-yl)ethyl group. CAS:17283-81-7|KEGG:C03527|MetaCyc:OXIDIZED-LATIA-LUCIFERIN phenio.json 4-(2,6,6-trimethylcyclohex-1-en-1-yl)butan-2-one|7,8-dihydro-beta-ionone|Oxidized Latia luciferin|dihydro-beta-ionone|oxidized Latia luciferin http://purl.obolibrary.org/obo/CHEBI_18015 3_STAR
CHEBI:18016 biolink:ChemicalSubstance 3',4',5-trihydroxy-3,6,7-trimethoxyflavone A trimethoxyflavone that is the 3,6,7-trimethyl ether derivative of quercetagetin. KEGG:C04552|KNApSAcK:C00004692|LIPID_MAPS_instance:LMPK12112998|PMID:11141110|PMID:18855445|PMID:21469236|Reaxys:350587 phenio.json 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one|3',4',5-Trihydroxy-3,6,7-trimethoxyflavone|3',4',5-trihydroxy-3,6,7-trimethoxyflavone|Chrysosplenol D|quercetagetin 3,6,7-trimethyl ether http://purl.obolibrary.org/obo/CHEBI_18016 3_STAR
CHEBI:18019 biolink:ChemicalSubstance L-lysine An L-alpha-amino acid; the L-isomer of lysine. CAS:56-87-1|DrugBank:DB00123|Drug_Central:1622|ECMDB:ECMDB00182|Gmelin:364182|HMDB:HMDB0000182|KEGG:C00047|KEGG:D02304|KNApSAcK:C00001378|MetaCyc:LYS|PMID:10930630|PMID:16901854|PMID:17051348|PMID:17979222|PMID:22019452|PMID:22064742|PMID:22575419|PMID:22735334|PMID:23167968|PMID:23325920|PMID:23722415|PMID:24064214|PMID:24831709|PMID:25108762|PMID:8070089|PMID:8587651|Reaxys:1722531|Wikipedia:Lysine|YMDB:YMDB00330 phenio.json (2S)-2,6-diaminohexanoic acid|(S)-2,6-diaminohexanoic acid|(S)-alpha,epsilon-diaminocaproic acid|(S)-lysine|6-ammonio-L-norleucine|K|L-2,6-Diaminocaproic acid|L-Lysin|L-Lysine|L-lysine|Lys|Lysine acid|lysina|lysine|lysinum http://purl.obolibrary.org/obo/CHEBI_18019 3_STAR
CHEBI:18020 biolink:ChemicalSubstance 4-trimethylammoniobutanal CAS:64595-66-0|KEGG:C01149 phenio.json 4-(trimethylamino)butanal|4-Trimethylammoniobutanal|N,N,N-trimethyl-4-oxobutan-1-aminium http://purl.obolibrary.org/obo/CHEBI_18020 3_STAR
CHEBI:18021 biolink:ChemicalSubstance phosphoenolpyruvate A monocarboxylic acid anion resuting from selective deprotonation of the carboxy group of phosphoenolpyruvic acid. CAS:73-89-2|KEGG:C00074|PDBeChem:PEP|Reaxys:3946007 phenio.json 2-(phosphonooxy)-2-propenoate|2-(phosphonooxy)acrylate|2-(phosphonooxy)prop-2-enoate|2-hydroxy-2-propenoate (dihydrogen phosphate) (ester)|2-hydroxy-2-propenoate phosphate (ester)|O-phosphono-enol-pyruvate|PEP|PHOSPHOENOLPYRUVATE|Phosphoenolpyruvate|phosphoenolpyruvate(1-) http://purl.obolibrary.org/obo/CHEBI_18021 3_STAR
CHEBI:18022 biolink:ChemicalSubstance thiocyanate A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid. Beilstein:1901207|CAS:302-04-5|Gmelin:1089|PDBeChem:SCN|UM-BBD_compID:c0560 phenio.json N#C-S(-)|NCS-|Rhodanid|SCN(-)|THIOCYANATE ION|Thiozyanat|[S-C#N](-)|nitridosulfidocarbonate(1-)|nitridothiocarbonate(1-)|nitridothiocarbonate(IV)|rhodanide|thiocyanate|thiocyanate ion (1-) http://purl.obolibrary.org/obo/CHEBI_18022 3_STAR
CHEBI:18023 biolink:ChemicalSubstance sirohydrochlorin CAS:65207-12-7|KEGG:C05778|KNApSAcK:C00007315 phenio.json (7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrapropionic acid|Sirohydrochlorin|sirohydrochlorin http://purl.obolibrary.org/obo/CHEBI_18023 3_STAR
CHEBI:18024 biolink:ChemicalSubstance D-galacturonic acid The D-enantiomer of galacturonic acid. It is the main component of pectin. PMID:21683149|PMID:24502254 phenio.json D-galacturonate|D-galacturonic acid|D-galacturonic acids http://purl.obolibrary.org/obo/CHEBI_18024 3_STAR
CHEBI:18025 biolink:ChemicalSubstance 2-hydroxypropyl dihydrogen phosphate A hydroxyalkyl phosphate consisting of propane-1,2-diol having a phosphate group at the 1-position. Beilstein:1705123|CAS:10602-14-9|KEGG:C03894 phenio.json 1,2-propanediol, 1-phosphate|2-hydroxypropyl dihydrogen phosphate|Propane-1,2-diol 1-phosphate http://purl.obolibrary.org/obo/CHEBI_18025 3_STAR
CHEBI:18026 biolink:ChemicalSubstance 2,3-dihydroxybenzoic acid A dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvinia molesta. CAS:303-38-8|DrugBank:DB01672|HMDB:HMDB0000397|KEGG:C00196|KNApSAcK:C00002669|PDBeChem:DBH|PMID:17065237|PMID:24171385|PMID:3575393|Reaxys:2209117|Wikipedia:2,3-Dihydroxybenzoic_acid phenio.json 2,3 DHB|2,3-DIHYDROXY-BENZOIC ACID|2,3-Dihydroxybenzoic acid|2,3-dihydroxybenzoic acid|2-pyrocatechuic acid|3-hydroxysalicylic acid|DOBK|catechol-3-carboxylic acid|o-pyrocatechuic acid|pyrocatechuic acid http://purl.obolibrary.org/obo/CHEBI_18026 3_STAR
CHEBI:18027 biolink:ChemicalSubstance (-)-aristolochene Beilstein:2249047|Beilstein:3588802|CAS:26620-71-3|KEGG:C02004 phenio.json (-)-aristolochene|(1R,7R,8aS)-aristolochene|(4R,4aS,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene|4betaH,5alpha-eremophila-9,11-diene|Aristolochene http://purl.obolibrary.org/obo/CHEBI_18027 3_STAR
CHEBI:18029 biolink:ChemicalSubstance dihydromacarpine A benzophenanthridine alkaloid that is dihydrosanguinarine bearing two methoxy substituents. CAS:77785-12-7|KEGG:C05316|KNApSAcK:C00024644|KNApSAcK:C00028198|PMID:2213031|Reaxys:4338795 phenio.json 13,14-Dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine|13,14-dihydro-5,7-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine|5,7-dimethoxy-13-methyl-13,14-dihydro-2H,10H-[1,3]dioxolo[4,5-i][1,3]dioxolo[4',5':4,5]benzo[1,2-c]phenanthridine|Dihydromacarpine|dihydromacarpine http://purl.obolibrary.org/obo/CHEBI_18029 3_STAR
CHEBI:18030 biolink:ChemicalSubstance quercetin 3,4'-bissulfate A quercetin bissulfate having the sulfo groups at the 3- and 4'-positions. KEGG:C01156|KNApSAcK:C00004961|MetaCyc:QUERCETIN-34-BISSULFATE|Reaxys:6773573 phenio.json 5,7-dihydroxy-2-[3-hydroxy-4-(sulfooxy)phenyl]-4-oxo-4H-chromen-3-yl hydrogen sulfate|Quercetin 3,4'-bissulfate|quercetin 3,4'-bis(hydrogen sulfate) http://purl.obolibrary.org/obo/CHEBI_18030 3_STAR
CHEBI:18032 biolink:ChemicalSubstance 4-amino-2-methyl-5-phosphooxymethylpyrimidine An aminopyrimidine having the amino group at the 4-position together with methyl and phosphooxymethyl groups at the 2- and 5-positions respectively. KEGG:C04556|KNApSAcK:C00007607|PDBeChem:MP5|PMID:15967475|PMID:24161603|PMID:26324451|Reaxys:210187 phenio.json (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate|4-Amino-2-methyl-5-phosphomethylpyrimidine|4-Amino-5-phosphomethyl-2-methylpyrimidine|4-amino-2-methyl-5-hydroxymethylpyrimidine phosphate|4-amino-2-methyl-5-phosphonooxymethylpyrimidine|4-amino-5-phosphomethyl-2-methylpyrimidine|HMP-P http://purl.obolibrary.org/obo/CHEBI_18032 3_STAR
CHEBI:18033 biolink:ChemicalSubstance 2-formylphenylformamide KEGG:C03574 phenio.json 2-Formylaminobenzaldehyde|2-formamidobenzaldehyde|2-formylphenylformamide http://purl.obolibrary.org/obo/CHEBI_18033 3_STAR
CHEBI:18034 biolink:ChemicalSubstance 4-fumarylacetoacetate(2-) A dicarboxylic acid dianion resuting from removal of a proton from both carboxy groups of 4-fumarylacetoacetic acid. KEGG:C01061|PMID:11532983|UM-BBD_compID:c0110 phenio.json (2E)-4,6-dioxooct-2-enedioate|4-fumarylacetoacetate|4-fumarylacetoacetate dianion|fumarylacetoacetate http://purl.obolibrary.org/obo/CHEBI_18034 3_STAR
CHEBI:18035 biolink:ChemicalSubstance diglyceride A glyceride that is glycerol in which any two of the hydroxy groups have been acylated. In the structure shown, two of the R groups (positions not specified) are acyl groups while the remaining R group can be either H or an alkyl group. KEGG:C00165|LIPID_MAPS_class:LMGL0201 phenio.json Diacylglycerol|Diglyceride|a diacylglycerol|di-O-acylglycerols|diacylglycerols|diglycerides http://purl.obolibrary.org/obo/CHEBI_18035 3_STAR
CHEBI:18036 biolink:ChemicalSubstance triphosphate(5-) CAS:14127-68-5|Gmelin:28089|Gmelin:4290|KEGG:C00536 phenio.json Inorganic triphosphate|P3O10(5-)|Triphosphate|Tripolyphosphate|bis(tetraoxidophosphato)dioxidophosphate(5-)|catena-triphosphate|triphosphate http://purl.obolibrary.org/obo/CHEBI_18036 3_STAR
CHEBI:18037 biolink:ChemicalSubstance 3-oxolauric acid KEGG:C02367|LIPID_MAPS_instance:LMFA01060091|PDBeChem:3LA phenio.json 3-Oxododecanoate|3-Oxododecanoic acid|3-oxododecanoic acid http://purl.obolibrary.org/obo/CHEBI_18037 3_STAR
CHEBI:18038 biolink:ChemicalSubstance GDP-L-galactose A GDP-galactose where the galactose moiety has L-configuration. KEGG:C02280 phenio.json GDP-L-galactose|guanosine 5'-[3-(L-galactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_18038 3_STAR
CHEBI:18039 biolink:ChemicalSubstance N-phospho-L-lombricine A phosphoramide consisting of L-lombricine having a phospho group attached to the guanidine. CAS:25540-15-2|KEGG:C14178 phenio.json N-Phospho-L-lombricine|N-Phospholombricine|N-Phosphoryl lombricine|N-Phosphoryllombricine|N-phosphonolombricine|O-[hydroxy(2-{[imino(phosphonoamino)methyl]amino}ethoxy)phosphoryl]-L-serine http://purl.obolibrary.org/obo/CHEBI_18039 3_STAR
CHEBI:18040 biolink:ChemicalSubstance erythro-5-hydroxy-L-lysine A 5-hydroxylysine consisting of L-lysine having an (R)-hydroxy group at the 5-position. CAS:1190-94-9|HMDB:HMDB0000450|KEGG:C16741|MetaCyc:CPD-14226|PDBeChem:LYZ|Reaxys:1723696 phenio.json (2S,5R)-2,6-diamino-5-hydroxyhexanoic acid|(2S,5R)-5-hydroxylysine|(5R)-5-Hydroxy-L-lysine|5-HYDROXYLYSINE|L-erythro-5-Hydroxylysine|L-normal-5-hydroxylysine|alpha,epsilon-diamino-delta-hydroxycaproic acid|erythro-5-Hydroxy-L-lysine http://purl.obolibrary.org/obo/CHEBI_18040 3_STAR
CHEBI:18041 biolink:ChemicalSubstance (S)-lactaldehyde AGR:IND607369847|CAS:3913-64-2|CAS:598-35-6|DrugBank:DB03776|KEGG:C00424|KNApSAcK:C00019649|PMID:15995211|PMID:18793327|PMID:2644239|PMID:3275622|PMID:36354948|PMID:37261425 phenio.json (2S)-2-hydroxypropanal|(S)-Lactaldehyde|(S)-lactaldehyde|L-2-Hydroxypropionaldehyde|L-2-hydroxypropionaldehyde|L-Lactaldehyde|L-lactaldehyde http://purl.obolibrary.org/obo/CHEBI_18041 3_STAR
CHEBI:18043 biolink:ChemicalSubstance ricinine CAS:524-40-3|KEGG:C01526|KNApSAcK:C00002069|LINCS:LSM-3851 phenio.json 1,2-dihydro-4-methoxy-1-methyl-2-oxo-3-pyridimecarbonitrile|4-methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile|Ricinine|ricinine http://purl.obolibrary.org/obo/CHEBI_18043 3_STAR
CHEBI:18044 biolink:ChemicalSubstance dialkyl ketone KEGG:C02146 phenio.json Dialkyl ketone|dialkyl ketone|dialkyl ketones http://purl.obolibrary.org/obo/CHEBI_18044 3_STAR
CHEBI:180459 biolink:ChemicalSubstance tetrodotoxin(1+) An iminium ion resulting from the protonation of the imine group of tetrodotoxin; major species at pH 7.3. phenio.json (4R,4aR,5R,6S,7S,9S,10S,10aR,11R)-4,6,9,10,11-pentahydroxy-6-(hydroxymethyl)octahydro-5,9-epoxy-7,10a-methanooxocino[4,5-d]pyrimidin-2(1H)-iminium|TTX(1+)|tetrodotoxin|tetrodotoxin cation http://purl.obolibrary.org/obo/CHEBI_180459 3_STAR
CHEBI:18046 biolink:ChemicalSubstance 4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde A carboxy-2-hydroxymuconate semialdehyde having the carboxy group at the 4-position and the aldehyde functijon at the 6-position. CAS:28345-81-5|KEGG:C04484|UM-BBD_compID:c0192 phenio.json (2E,4E)-2-hydroxy-4-(2-oxoethylidene)pent-2-enedioic acid|2-hydroxy-4-carboxymuconate semialdehyde|4-Carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde|4-Carboxy-2-hydroxymuconate semialdehyde|4-carboxy-2-hydroxy-cis,cis-muconate 6-semialdehyde http://purl.obolibrary.org/obo/CHEBI_18046 3_STAR
CHEBI:180460 biolink:ChemicalSubstance Paracetamol-Cys-Gly conjugate An intermediate metabolite in the detoxification of the active paracetamol metabolite NAPQI phenio.json http://purl.obolibrary.org/obo/CHEBI_180460 2_STAR
CHEBI:18047 biolink:ChemicalSubstance dihydrolipoic acid A thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects. CAS:462-20-4|DrugBank:DB03760|Gmelin:675796|HMDB:HMDB0012210|KEGG:C02147|PMID:12127266|PMID:1345759|PMID:17403519|PMID:18951944|Reaxys:1722777|Wikipedia:Dihydrolipoic_acid phenio.json 6,8-Dihydrothioctic acid|6,8-bis-sulfanyloctanoic acid|6,8-dimercapto-octanoic acid|6,8-dimercaptooctanoic acid|6,8-disulfanyloctanoic acid|DHLA|Dihydrolipoic acid|Dihydrothioctic acid|dihydro-alpha-lipoic acid|dihydro-lipoic acid http://purl.obolibrary.org/obo/CHEBI_18047 3_STAR
CHEBI:18048 biolink:ChemicalSubstance DIMBOA A lactol that is DIBOA in which the hydrogen at position 7 is replaced by a methoxy group. It has been isolated from the maize plants. CAS:15893-52-4|HMDB:HMDB0034864|KEGG:C04720|KNApSAcK:C00026498|PMID:23647315|PMID:23771234|Reaxys:1078658|Wikipedia:DIMBOA phenio.json 2,4-Dihydroxy-7-methoxy-1,4-benzoxazin-3-one|2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one|2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one|DIMBOA http://purl.obolibrary.org/obo/CHEBI_18048 3_STAR
CHEBI:180480 biolink:ChemicalSubstance amperozide A member of the class of ureas that is urea in which three of the four hydrogens are replaced by ethyl and 4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl groups. An atypical antipsychotic which was in clinical development for the treatment of schizophrenia and substance-related disorders. It is a potent 5-HT2A antagonist and used in veterinary medicine because of its sedative effect on pigs. CAS:75558-90-6|Chemspider:66062|DrugBank:DB08927|Drug_Central:193|HMDB:HMDB0248358|LINCS:LSM-3159|PMID:10068147|PMID:10512574|PMID:10627067|PMID:10975635|PMID:12127016|PMID:12213521|PMID:18666714|PMID:19850474|PMID:2106131|PMID:2111999|PMID:2154737|PMID:2224491|PMID:2304894|PMID:2304896|PMID:2406715|PMID:24134630|PMID:2746728|PMID:3751811|PMID:7879876|PMID:8050470|PMID:8060520|PMID:8255902|PMID:8405119|PMID:9443541|PMID:9597673|PMID:9631953|PMID:9686999|Patent:EP0517787|Patent:WO9112805|Wikipedia:Amperozide phenio.json 4-(4,4-bis(p-fluorophenyl)butyl)-N-ethyl-1-piperazinecarboxamide|4-[4,4-bis(4-fluorophenyl)butyl]-N-ethylpiperazine-1-carboxamide|amperozida|amperozide|amperozidum http://purl.obolibrary.org/obo/CHEBI_180480 3_STAR
CHEBI:180481 biolink:ChemicalSubstance ribavirin 5'-diphosphate A 1-ribosyltriazole that is ribavirin in which the hydroxy group at the 5'-position is replaced by a diphosphate group. It is the metabolite of the antiviral agent ribavirin. CAS:63142-70-1|Chemspider:111258|PMID:10349689|PMID:10961691|PMID:15633995|PMID:17029670|PMID:22943620|PMID:2552007|PMID:2556073|PMID:25645847|PMID:280136|PMID:28053102|PMID:2837139 phenio.json 1-{5-O-[hydroxy(phosphonooxy)phosphoryl]-beta-D-ribofuranosyl}-1H-1,2,4-triazole-3-carboxamide|RDP|ribavirin diphosphate|ribavirin-DP http://purl.obolibrary.org/obo/CHEBI_180481 3_STAR
CHEBI:180482 biolink:ChemicalSubstance 1,2,4-triazole-3-carboxamide A member of the class of triazoles that is 1H-1,2,4-triazole substituted by an aminocarbonyl group at position 3. It is the major catabolite and aglycon of ribavirin. CAS:3641-08-5|Chemspider:58634|HMDB:HMDB0244869|PMID:1368697|PMID:1368721|PMID:17845853|PMID:21202621|PMID:212973|PMID:2737800|PMID:6660848|Reaxys:775120 phenio.json 1H-1,2,4-triazole-3-carboxamide|3-(aminocarbonyl)-1H-1,2,4-triazole|3-carbamoyl-1H-1,2,4-triazole http://purl.obolibrary.org/obo/CHEBI_180482 3_STAR
CHEBI:180483 biolink:ChemicalSubstance ribavirin carboxylic acid A 1-ribosyltriazole that is ribavirin in which the carbamoyl group at position 3 is replaced by a carboxy group. It is a catabolite and impurity of ribavirin. CAS:39925-19-4|Chemspider:20038397|PMID:17379518|PMID:222909|PMID:280136 phenio.json 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-1,2,4-triazole-3-carboxylic acid|1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboxylic acid|ribavirin related compound A|ribavirin specified impurity A http://purl.obolibrary.org/obo/CHEBI_180483 3_STAR
CHEBI:180484 biolink:ChemicalSubstance amperozide(1+) A tertiary ammonium ion that is conjugate acid of amperozide resulting from the protonation of the piperazine moiety; major species at pH 7.3. phenio.json 1-[4,4-bis(4-fluorophenyl)butyl]-4-(ethylcarbamoyl)piperazin-1-ium|amperozide cation http://purl.obolibrary.org/obo/CHEBI_180484 3_STAR
CHEBI:18049 biolink:ChemicalSubstance piperidine An azacycloalkane that is cyclohexane in which one of the carbons is replaced by a nitrogen. It is a metabolite of cadaverine, a polyamine found in the human intestine. CAS:110-89-4|Chemspider:7791|FooDB:FDB012644|HMDB:HMDB0034301|KEGG:C01746|KNApSAcK:C00051876|MetaCyc:PIPERIDINE|PDBeChem:PIP|PMID:12355363|PMID:15017096|PMID:15412|PMID:25897321|PMID:32120931|PMID:33021609|PMID:5300194|PMID:5308835|PMID:799462|Reaxys:102438|Wikipedia:Piperidine phenio.json Azacyclohexane|Hexahydropyridine|Piperidin|Piperidine|azinane|cyclopentimine|cypentil|hexazane|pentamethyleneamine|pentamethyleneimine|pentamethylenimine|perhydropyridine|pip|piperidine http://purl.obolibrary.org/obo/CHEBI_18049 3_STAR
CHEBI:18050 biolink:ChemicalSubstance L-glutamine An optically active form of glutamine having L-configuration. CAS:56-85-9|DrugBank:DB00130|Drug_Central:1311|ECMDB:ECMDB00641|Gmelin:3509|HMDB:HMDB0000641|KEGG:C00064|KEGG:D00015|KNApSAcK:C00001359|LINCS:LSM-4741|MetaCyc:GLN|PDBeChem:GLN|PMID:11139387|PMID:15204730|PMID:22055478|PMID:22206385|PMID:22451274|PMID:22453904|PMID:22575040|PMID:22770225|PMID:29438107|Reaxys:1723797|Wikipedia:Glutamine|YMDB:YMDB00002 phenio.json (2S)-2,5-diamino-5-oxopentanoic acid|(2S)-2-amino-4-carbamoylbutanoic acid|(S)-2,5-diamino-5-oxopentanoic acid|GLUTAMINE|Glutamic acid 5-amide|Glutamic acid amide|L-(+)-glutamine|L-2-Aminoglutaramic acid|L-2-aminoglutaramic acid|L-Glutamin|L-Glutamine|L-Glutaminsaeure-5-amid|L-glutamic acid gamma-amide|L-glutamine|Levoglutamide|Q http://purl.obolibrary.org/obo/CHEBI_18050 3_STAR
CHEBI:180503 biolink:ChemicalSubstance chlorprothixene(1+) A tertiary ammonium ion that is the conjugate acid of chlorprothixene resulting from the protonation of the tertiary amino group; major species at pH 7.3. phenio.json 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-aminium|chlorprothixene cation http://purl.obolibrary.org/obo/CHEBI_180503 3_STAR
CHEBI:18051 biolink:ChemicalSubstance L-aspartic 4-semialdehyde CAS:2338-03-6|Chemspider:388372|FooDB:FDB028891|HMDB:HMDB0012249|KEGG:C00441|KNApSAcK:C00007469|PMID:10759521|PMID:14353904|PMID:1955861|PMID:3697846|PMID:4390206|PMID:4390536|PMID:4609075|PMID:7041905|PMID:9260954|PMID:974097|PMID:9864317 phenio.json (2S)-2-amino-4-oxobutanoic acid|(S)-2-amino-4-oxobutanoic acid|3-formylalanine|L-aspartic 4-semialdehyde|L-aspartic acid beta-semialdehyde|L-aspartic beta-semialdehyde|aspartic beta-semialdehyde http://purl.obolibrary.org/obo/CHEBI_18051 3_STAR
CHEBI:18052 biolink:ChemicalSubstance loganate KEGG:C01512 phenio.json (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate|loganate http://purl.obolibrary.org/obo/CHEBI_18052 3_STAR
CHEBI:18053 biolink:ChemicalSubstance 1-aminocyclopropanecarboxylic acid A non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. CAS:22059-21-8|DrugBank:DB02085|Gmelin:362607|HMDB:HMDB0036458|KEGG:C01234|KNApSAcK:C00007566|MetaCyc:CPD-68|PDBeChem:1AC|PMID:24120532|PMID:24495994|Pesticides:acc|Reaxys:2076413|Wikipedia:1-Aminocyclopropane-1-carboxylic_acid phenio.json 1-AMINOCYCLOPROPANECARBOXYLIC ACID|1-Aminocyclopropane-1-carboxylic acid|1-aminocyclopropane-1-carboxylic acid|ACC http://purl.obolibrary.org/obo/CHEBI_18053 3_STAR
CHEBI:180536 biolink:ChemicalSubstance 7-Hydroxymitragynine CAS:174418-82-7|Chemspider:23152144 phenio.json methyl (E)-2-[(2S,3S,7aS,12bS)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate http://purl.obolibrary.org/obo/CHEBI_180536 2_STAR
CHEBI:18054 biolink:ChemicalSubstance diphthine A quaternary ammonium ion consisting of L-histidine with a 3-(trimethylammonio)-3-carboxypropyl group at the 2-position of the the imidazole ring. CAS:75645-23-7|KEGG:C01573 phenio.json (1S)-3-{4-[(2S)-2-amino-2-carboxyethyl]-1H-imidazol-2-yl}-1-carboxy-N,N,N-trimethylpropan-1-aminium|2-[(3S)-3-carboxy-3-(trimethylammonio)propyl]-L-histidine|Diphthine|EF-2 diphthine|Elongation factor 2 diphthine http://purl.obolibrary.org/obo/CHEBI_18054 3_STAR
CHEBI:180543 biolink:ChemicalSubstance (S)-2-hydroxymethylglutarate The dicarboxylate anion of (S)-2-hydroxymethylglutaric acid; mahor microspecies at pH 7.3. MetaCyc:CPD-9438|PMID:16894175 phenio.json (2S)-2-(hydroxymethyl)pentanedioate|(S)-2-hydroxymethylglutarate http://purl.obolibrary.org/obo/CHEBI_180543 2_STAR
CHEBI:180544 biolink:ChemicalSubstance 7-hydroxy-8-methoxycoumarin MetaCyc:CPD-14430|PMID:12480941 phenio.json 7-hydroxy-8-methoxychromen-2-one|7-hydroxy-8-methoxycoumarin|hydrangetin http://purl.obolibrary.org/obo/CHEBI_180544 2_STAR
CHEBI:18056 biolink:ChemicalSubstance N-acetyl-alpha-D-galactosaminyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide A glycopentaosylceramide having alpha-D-GalNAc-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc as the pentasaccharide portion; reported to be the Forssman hapten of horse spleen. KEGG:C04925|KEGG:G00095|PMID:10988247|PMID:1193672|PMID:13239189|PMID:13239190|PMID:1373469|PMID:14210803|PMID:1528196|PMID:19351707|PMID:4199759|PMID:4358346|PMID:4459265|PMID:4474139|PMID:4538505|PMID:4605408|PMID:469271|PMID:5461254|PMID:8623166 phenio.json (Gal)2 (GalNAc)2 (Glc)1 (Cer)1|Forssman hapten|GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer|GalNAc-alpha1->3GalNAc-beta1->3Gal-alpha1->4LacCer|IV(3)GalNAcalpha-Gb4Cer|N-Acetyl-D-galactosaminyl-N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide|N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide|N-acetyl-alpha-D-galactosaminyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramides|a globoside Forssman (d18:1(4E))|alpha-D-GalNAc-(1->3)-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc(1<->1)Cer http://purl.obolibrary.org/obo/CHEBI_18056 3_STAR
CHEBI:18057 biolink:ChemicalSubstance vellosimine An indole alkaloid that is sarpagan in which the methyl group attached to position 16 has been oxidised to the corresponding aldehyde. CAS:6874-98-2|KEGG:C11634|MetaCyc:VELLOSIMINE|PDBeChem:EVS|PMID:10891229|PMID:14510528|PMID:20392128|Reaxys:6894764 phenio.json (+)-vellosimine|Vellosimine|sarpagan-17-al|vellosimine http://purl.obolibrary.org/obo/CHEBI_18057 3_STAR
CHEBI:18058 biolink:ChemicalSubstance oxamic acid A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia. CAS:471-47-6|DrugBank:DB03940|KEGG:C01444|LINCS:LSM-6631|PDBeChem:OXM|PMID:23560609|PMID:24465604|Reaxys:1743294 phenio.json Glycine, 2-oxo-|Oxalic monoamide|Oxamate|Oxamic acid|amino(oxo)acetic acid|oxamic acid http://purl.obolibrary.org/obo/CHEBI_18058 3_STAR
CHEBI:18059 biolink:ChemicalSubstance lipid 'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids. KEGG:C01356 phenio.json Lipid|lipids http://purl.obolibrary.org/obo/CHEBI_18059 3_STAR
CHEBI:18060 biolink:ChemicalSubstance 1-haloalkane Any haloalkane where the halogen is located at position 1. KEGG:C01872 phenio.json 1-haloalkane|1-haloalkanes http://purl.obolibrary.org/obo/CHEBI_18060 3_STAR
CHEBI:18062 biolink:ChemicalSubstance 4-guanidinobutanamide A butanamide having a guanidino group at the 4-position. CAS:4210-97-3|KEGG:C03078 phenio.json 4-(carbamimidamido)butanamide|4-Guanidinobutanamide|4-Guanidinobutyramide|4-guanidobutanamide|Tiformin http://purl.obolibrary.org/obo/CHEBI_18062 3_STAR
CHEBI:18063 biolink:ChemicalSubstance 2-O-acyl-3-O-beta-D-galactosyl-sn-glycerol A 2-monoglyceride having a beta-Dgalactosyl residue at the 3-position. KEGG:C04315 phenio.json (2R)-2-acyloxy-3-hydroxypropyl beta-D-galactopyranoside|Gal-beta1->3acyl1Gro|Galbeta1->3acyl1Gro|Mono-beta-D-galactosylacylglycerol|Monogalactosyl-monoacylglycerol|a 2-acyl-3-O-(beta-D-galactosyl)-sn-glycerol|sn-3-D-Galactosyl-sn-2-acylglycerol http://purl.obolibrary.org/obo/CHEBI_18063 3_STAR
CHEBI:180636 biolink:ChemicalSubstance PS(O-20:0/22:4(7Z,10Z,13Z,16Z)) LIPID_MAPS_instance:LMGP03020068 phenio.json (2S)-2-amino-3-[[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-icosoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_180636 2_STAR
CHEBI:18064 biolink:ChemicalSubstance 3-hydroxyisobutyric acid A 4-carbon, branched hydroxy fatty acid and intermediate in the metabolism of valine. Beilstein:1745484|CAS:2068-83-9|KEGG:C01188 phenio.json 2-methyl-3-hydroxypropanoic acid|3-Hydroxyisobutyric acid|3-hydroxy-2-methylpropanoic acid|HIBA http://purl.obolibrary.org/obo/CHEBI_18064 3_STAR
CHEBI:18065 biolink:ChemicalSubstance deacetylcephalosporin C A 3-hydroxymethylcephalosporin having a (5-amino-5-carboxypentanoyl)amino group at the 7-position. CAS:1476-46-6|KEGG:C03112 phenio.json (6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|Deacetylcephalosporin C http://purl.obolibrary.org/obo/CHEBI_18065 3_STAR
CHEBI:180653 biolink:ChemicalSubstance molnupiravir A nucleoside analogue that is N(4)-hydroxycytidine in which the 5'-hydroxy group is replaced by a (2-methylpropanoyl)oxy group. It is the prodrug of the active antiviral ribonucleoside analog N(4)-hydroxycytidine (EIDD-1931), has activity against a number of RNA viruses including SARS-CoV-2, MERS-CoV, and seasonal and pandemic influenza viruses. It is currently in phase III trials for the treatment of patients with COVID-19. CAS:2349386-89-4|CAS:2492423-29-5|Chemspider:84400552|KEGG:D11943|PMCID:PMC8461366|PMID:31645453|PMID:31910262|PMID:31945316|PMID:32253226|PMID:32503814|PMID:32714193|PMID:33030468|PMID:33273742|PMID:33290476|PMID:33561864|PMID:33588727|PMID:33649113|PMID:33664631|PMID:33863887|PMID:33902254|PMID:33961695|PMID:33989635|PMID:34056192|PMID:34118236|PMID:34244768|PMID:34271264|PMID:34337170|PMID:34381216|PMID:34425873|PMID:34509661|PMID:34518697|PMID:34571361|Wikipedia:Molnupiravir phenio.json EIDD 1931 5'-isopropylester|EIDD 2801|EIDD-2801|MK-4482|N(4)-hydroxycytidine 5'-isopropylester|N-hydroxy-5'-O-(2-methylpropanoyl)-3,4-dihydrocytidine|beta-D-N(4)-hydroxycytidine-5'-isopropyl ester|molnupiravir|molnupiravirum|{(2R,3S,4R,5R)-3,4-dihydroxy-5-[4-(hydroxyimino)-2-oxo-3,4-dihydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}methyl 2-methylpropanoate http://purl.obolibrary.org/obo/CHEBI_180653 3_STAR
CHEBI:180654 biolink:ChemicalSubstance N(4)-hydroxycytidine A nucleoside analogue that is cytidine which carries a hydroxy group at the N(4)-positon. It has broad-spectrum antiviral activity against influenza, SARS-CoV , SARS-CoV-2 and MERS-CoV. CAS:3258-02-4|Chemspider:170635|DrugBank:DB15660|PMID:31494195|PMID:31578288|PMID:31645453|PMID:32253226|PMID:33290476|PMID:33327924|PMID:33649113|PMID:33807492|PMID:33989635|PMID:34186107|PMID:34357881|PMID:34381216|PMID:34503974|PMID:34509661 phenio.json 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(hydroxyimino)-3,4-dihydropyrimidin-2(1H)-one|4-N-hydroxycytidine|4-oxime uridine|EIDD 1931|EIDD-1931|N(4)-hydroxycytidine|N-hydroxy-3,4-dihydrocytidine|N-hydroxycytidine|NHC|beta-D-N(4)-hydroxycytidine http://purl.obolibrary.org/obo/CHEBI_180654 3_STAR
CHEBI:18066 biolink:ChemicalSubstance UDP-D-glucose A UDP-sugar having D-glucose as the sugar component. CAS:133-89-1|KEGG:C00029 phenio.json UDP-D-glucose|UDP-Glc|UDP-glucose|UDPglucose|Uridine 5'-(trihydrogen diphosphate), P'-alpha-D-glucopyranosyl ester|Uridine 5'-(trihydrogen diphosphate), mono-alpha-d-glucopyranosyl ester|Uridine diphosphate glucose|uridine 5'-[3-D-glucopyranosyl dihydrogen diphosphate]|uridinediphosphoglucose http://purl.obolibrary.org/obo/CHEBI_18066 3_STAR
CHEBI:18067 biolink:ChemicalSubstance phylloquinone A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. CAS:84-80-0|Chemspider:4447652|DrugBank:DB01022|Drug_Central:2843|HMDB:HMDB0003555|KEGG:C02059|KEGG:D00148|KNApSAcK:C00002868|LIPID_MAPS_instance:LMPR02030028|MetaCyc:2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE|PDBeChem:PQN|PMCID:PMC6577341|PMCID:PMC8180628|PMID:1009028|PMID:10701947|PMID:10893417|PMID:11003724|PMID:15686525|PMID:15773196|PMID:19588895|PMID:19996170|PMID:21169510|PMID:21645693|PMID:21844348|PMID:21914559|PMID:27337968|PMID:2851012|PMID:30609653|PMID:32090699|PMID:32109957|PMID:32221088|PMID:32222983|PMID:32445363|PMID:33793953|PMID:33968245|PMID:34134516|PMID:5511811|PMID:7657478|Reaxys:2568816|Wikipedia:Phytomenadione phenio.json 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione|2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone|2-Methyl-3-phytyl-1,4-naphthochinon|2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-dione|2-methyl-3-phytyl-1,4-naphthoquinone|3-phytylmenadione|Mephyton|PHYLLOQUINONE|Phyllochinon|Phyllochinonum|Phylloquinone|Phytonadionum|Phytylmenadione|Vitamin K1|alpha-phylloquinone|fitomenadiona|fitomenadione|phylloquinone|phytomenadione|phytomenadionum|phytonadione|trans-Phylloquinone|vitamin K1|vitamin K1(20) http://purl.obolibrary.org/obo/CHEBI_18067 3_STAR
CHEBI:180684 biolink:ChemicalSubstance 6-Thioinosine-5'-monophosphate(2-) The ionised form of 6-Thioinosine-5'-monophosphate (Chebi:2332) phenio.json http://purl.obolibrary.org/obo/CHEBI_180684 2_STAR
CHEBI:180685 biolink:ChemicalSubstance 6-Thioxanthine 5'-monophosphate(2-) A drug intermediate in the formation of pharmacologically active metabolites of azathioprine. Based on Chebi:80612 phenio.json http://purl.obolibrary.org/obo/CHEBI_180685 2_STAR
CHEBI:180686 biolink:ChemicalSubstance 6-Thioguanosine monophosphate(2-) A drug intermediate in the formation of pharmacologically active metabolites of azathioprine. Based on Chebi:80613 phenio.json http://purl.obolibrary.org/obo/CHEBI_180686 2_STAR
CHEBI:180687 biolink:ChemicalSubstance 6-Thioguanosine diphosphate(3-) A pharmacologically active metabolite of azathioprine phenio.json http://purl.obolibrary.org/obo/CHEBI_180687 2_STAR
CHEBI:180688 biolink:ChemicalSubstance 6 thioguanosine triphosphate(4-) A pharmacologically active metabolite of azathioprine phenio.json 6TGTP http://purl.obolibrary.org/obo/CHEBI_180688 2_STAR
CHEBI:180689 biolink:ChemicalSubstance 6 thiodeoxyguanosine monophosphate (2-) A pharmacologically active metabolite of azathioprine phenio.json 6TdGMP http://purl.obolibrary.org/obo/CHEBI_180689 2_STAR
CHEBI:180690 biolink:ChemicalSubstance 6 thiodeoxyguanosine diphosphate (3-) A pharmacologically active metabolite of azathioprine phenio.json 6TdGDP http://purl.obolibrary.org/obo/CHEBI_180690 2_STAR
CHEBI:180691 biolink:ChemicalSubstance 6-thiodeoxyguanosine triphosphate (4-) A pharmacologically active metabolite of azathioprine phenio.json 6TdGTP http://purl.obolibrary.org/obo/CHEBI_180691 2_STAR
CHEBI:180692 biolink:ChemicalSubstance EUK-134 phenio.json http://purl.obolibrary.org/obo/CHEBI_180692 1_STAR
CHEBI:180694 biolink:ChemicalSubstance fasudil(1+) A secondary ammonium ion that is the conjugate acid of fasudil arising from the protonation of the diazepane ring; major species at pH 7.3. phenio.json 4-(isoquinolin-5-ylsulfonyl)-1,4-diazepan-1-ium|fasudil cation http://purl.obolibrary.org/obo/CHEBI_180694 3_STAR
CHEBI:180696 biolink:ChemicalSubstance 20beta-dihydroprednisolone A glucocorticoid that is prednisolone in which the oxo group at position 20 has been reduced to the corresponding beta-hydroxy group. It is a metabolite of prednisolone. CAS:2299-46-9|Chemspider:27524368|PMID:23510304|PMID:25267433|PMID:25800201|PMID:28806969|PMID:34081842|PMID:898234|PMID:9408088 phenio.json (11beta,20S)-11,17,20,21-tetrahydroxypregna-1,4-dien-3-one|(20S)-11beta,17,20,21-tetrahydroxypregna-1,4-dien-3-one|(20S)-hydroxyprednisolone|20(S)-hydroxy prednisolone|20beta-dihydro-PRED|20beta-hydroxyprednisolone|prednisolone EP impurity G|prednisolone impurity G http://purl.obolibrary.org/obo/CHEBI_180696 3_STAR
CHEBI:180697 biolink:ChemicalSubstance 6beta-hydroxyprednisolone A glucocorticoid that is prednisolone carrying a hydroxy group at the 6beta position. It is a metabolite of prednisolone found in human urine. CAS:16355-29-6|PMID:10975239|PMID:25800201|PMID:9551805 phenio.json (1R,3aS,3bS,5R,9aR,9bS,10S,11aS)-1,5,10-trihydroxy-1-(hydroxyacetyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,9a,9b,10,11,11a-dodecahydro-7H-cyclopenta[a]phenanthren-7-one|6beta,11beta,17,21-tetrahydroxypregna-1,4-diene-3,20-dione http://purl.obolibrary.org/obo/CHEBI_180697 3_STAR
CHEBI:18070 biolink:ChemicalSubstance cytochrome c CAS:9007-43-6|COMe:PRX000154|KEGG:C00524|KEGG:C02416|KEGG:D00072 phenio.json Cytochrome C|Holocytochrome c|c-type cytochrome http://purl.obolibrary.org/obo/CHEBI_18070 3_STAR
CHEBI:18071 biolink:ChemicalSubstance (methylthio)acetate A monocarboxylic acid anion that is the conjugate base of (methylthio)acetic acid. Beilstein:3661093|DrugBank:DB03517|Gmelin:323968|PDBeChem:MTG|Reaxys:3661093 phenio.json (methylsulfanyl)acetate|(methylthio)acetate anion|(methylthio)acetate(1-)|S-methylthioglycolate|S-methylthioglycollic acid anion|[METHYLTHIO]ACETATE http://purl.obolibrary.org/obo/CHEBI_18071 3_STAR
CHEBI:18072 biolink:ChemicalSubstance 5-hydroxyisouric acid An oxopurine that is 5,7-dihydro-1H-purine-2,6,8(9H)-trione in which the hydrogen at position 5 is substituted by a hydroxy group. Beilstein:5949568|KEGG:C11821|KNApSAcK:C00007531 phenio.json 5-Hydroxyisourate|5-hydroxy-5,7-dihydro-1H-purine-2,6,8(9H)-trione|5-hydroxyisourate http://purl.obolibrary.org/obo/CHEBI_18072 3_STAR
CHEBI:18073 biolink:ChemicalSubstance xanthoaphin The product from the treatment of protoaphin aglucone with protoaphin dehydratase (EC 4.2.1.73). Beilstein:102020|CAS:1674-44-8|KEGG:C01863 phenio.json (1R,3R,3aS,4aS,8R,10R,10aS,11aS)-4a,7,11a,14-tetrahydroxy-1,3,8,10-tetramethyl-1,3,3a,4a,5,8,10,10a,11a,12-decahydro-6H,13H-2,4,9,11-tetraoxadibenzo[bc,kl]coronene-6,13-dione|Xanthoaphin|xanthoaphin-fb http://purl.obolibrary.org/obo/CHEBI_18073 3_STAR
CHEBI:18075 biolink:ChemicalSubstance dTDP A thymidine phosphate having a diphosphate group at the 5'-position. Beilstein:64132|CAS:491-97-4|DrugBank:DB03103|HMDB:HMDB0001274|KEGG:C00363|KNApSAcK:C00019696|MetaCyc:TDP|PDBeChem:TYD|PMID:20065942|PMID:23394555|Wikipedia:Thymidine_diphosphate phenio.json 2'-deoxyribosylthymine 5'-(trihydrogen diphosphate)|Deoxythymidine 5'-diphosphate|THYMIDINE-5'- DIPHOSPHATE|dTDP|deoxy-TDP|thymidine 5'-(trihydrogen diphosphate)|thymidine 5'-diphosphate|thymidine 5'-pyrophosphate http://purl.obolibrary.org/obo/CHEBI_18075 3_STAR
CHEBI:18077 biolink:ChemicalSubstance dTTP A thymidine phosphate having a triphosphate group at the 5'-position. AGR:IND43614414|Beilstein:71453|CAS:365-08-2|Chemspider:58493|DrugBank:DB02452|FooDB:FDB030841|HMDB:HMDB0001342|KEGG:C00459|KNApSAcK:C00019695|PDBeChem:TTP|PMID:11952643|PMID:163227|PMID:17062140|PMID:18164314|PMID:2232707|PMID:26252214|PMID:2628074|PMID:26408413|PMID:29083013|PMID:30305373|PMID:31377845|PMID:33716755|PMID:34102282|PMID:34110794|PMID:4556566|PMID:7361458|PMID:8294419|PMID:89451|Wikipedia:Thymidine_triphosphate phenio.json 2'-deoxythymidine 5'-triphosphate|2'-deoxythymidine triphosphate|5'-TTP|THYMIDINE-5'-TRIPHOSPHATE|TTP|dTTP|dThd5'PPP|deoxy-TTP|deoxythymidine 5'-triphosphate|deoxythymidine triphosphate|pppdT|thymidine 5'-(tetrahydrogen triphosphate)|thymidine 5'-triphosphate http://purl.obolibrary.org/obo/CHEBI_18077 3_STAR
CHEBI:18078 biolink:ChemicalSubstance 2-dehydro-3-deoxy-L-rhamnonic acid A ketoaldonic acid that is rhamnonic acid which is lacking the 3-hydroxy group, has a keto group at the 2-position and L-configuration. KEGG:C03979 phenio.json 2-Dehydro-3-deoxy-L-rhamnonate|2-dehydro-3,6-dideoxy-L-mannonate|3,6-dideoxy-L-arabino-hex-2-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_18078 3_STAR
CHEBI:18080 biolink:ChemicalSubstance 5-oxo-2,5-dihydro-2-furylacetic acid A 5-oxo-2-furylacetic acid having the C=C double bond at the 3,4-position. Beilstein:114448|Beilstein:81229|CAS:6666-46-2|KEGG:C04105 phenio.json (5-oxo-2,5-dihydrofuran-2-yl)acetic acid|2,5-Dihydro-5-oxofuran-2-acetate|2-Oxo-2,5-dihydrofuran-5-acetate|4-Carboxymethyl-4-hydroxyisocrotonolactone|5-Oxo-2,5-dihydrofuran-2-acetate|Muconolactone http://purl.obolibrary.org/obo/CHEBI_18080 3_STAR
CHEBI:18082 biolink:ChemicalSubstance 1,2,3,4,6-pentakis-O-galloyl-beta-D-glucose A galloyl-beta-D-glucose compound having five galloyl groups in the 1-, 2-, 3-, 4- and 6-positions. Beilstein:79674|CAS:14937-32-7|Chemspider:58735|KEGG:C04576|KNApSAcK:C00002933|MetaCyc:12346-PENTAKIS-O-GALLOYL-BETA-D-GLUC|PMID:14609132|PMID:15105050|PMID:16253226|PMID:17015965|PMID:17141590|PMID:18386256|PMID:18622905|PMID:19374853|PMID:19457098|PMID:19576177|PMID:20369791|PMID:20606300|PMID:21085110|PMID:21173176|PMID:24404334|PMID:29472861|PMID:30760754|PMID:32957961 phenio.json 1,2,3,4,6-Pentakis-O-galloyl-beta-D-glucose|1,2,3,4,6-Pgg|1,2,3,4,6-penta-O-galloyl-beta-D-glucopyranose|1,2,3,4,6-penta-O-galloyl-beta-D-glucopyranoside|1,2,3,4,6-penta-O-galloyl-beta-D-glucose|1,2,3,4,6-penta-O-galloyl-beta-D-glucoside|1,2,3,4,6-pentagalloyl-beta-D-glucopyranose|1,2,3,4,6-pentagalloyl-beta-D-glucopyranoside|1,2,3,4,6-pentagalloyl-beta-D-glucose|1,2,3,4,6-pentakis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose|Pentagalloyl-beta-D-glucose|Pentagalloylglucose|beta-1,2,3,4,6-pentagalloylglucose|beta-D-glucopyranose pentakis(3,4,5-trihydroxybenzoate)|penta-O-galloyl-beta-D-glucopyranose|penta-O-galloyl-beta-D-glucose http://purl.obolibrary.org/obo/CHEBI_18082 3_STAR
CHEBI:18083 biolink:ChemicalSubstance 1-methyladenine Adenine substituted with a methyl group at position N-1. CAS:5142-22-3|HMDB:HMDB0011599|KEGG:C02216|MetaCyc:1-METHYLADENINE|PMID:10208753|PMID:17396151|PMID:22770225|Reaxys:137917 phenio.json 1-Methyladenine|1-methyl-1H-purin-6-amine|1-methyladenine|N1-methyladenine http://purl.obolibrary.org/obo/CHEBI_18083 3_STAR
CHEBI:18084 biolink:ChemicalSubstance testololactone Beilstein:34272|CAS:4416-57-3|KEGG:C04676|LIPID_MAPS_instance:LMST02020061 phenio.json (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,9,10,10a,10b,11,12,12a-dodecahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione|17a-oxa-D-homoandrost-4-ene-3,17-dione|3-Oxo-13,17-secoandrost-4-ene-17,13alpha-lactone|3-oxo-13,17-secoandrost-4-eno-17,13-alpha-lactone|3-oxo-13,17-secoandrost-4-eno-17,13alpha-lactone|D-homo-17a-oxaandrost-4-ene-3,17-dione|Testololactone|hydrotestolactone|testololactone http://purl.obolibrary.org/obo/CHEBI_18084 3_STAR
CHEBI:18085 biolink:ChemicalSubstance glycosaminoglycan Any polysaccharide containing a substantial proportion of aminomonosaccharide residues. KEGG:C02545|Wikipedia:Glycosaminoglycan phenio.json Glycosaminoglycan|Glykosaminoglykan|glicosaminoglicano|glycosaminoglycan|glycosaminoglycane|glycosaminoglycans http://purl.obolibrary.org/obo/CHEBI_18085 3_STAR
CHEBI:18086 biolink:ChemicalSubstance indol-3-ylacetaldehyde An indoleacetaldehyde that is acetaldehyde in which one of the methyl hydrogens are replaced by a indol-3-yl group. It is an intermediate metabolite in the metabolism of tryptophan. CAS:2591-98-2|HMDB:HMDB0001190|KEGG:C00637|KNApSAcK:C00000109|MetaCyc:INDOLE_ACETALDEHYDE|PMID:20217460|PMID:22274708|PMID:4015706|PMID:4031860|PMID:6862384|Reaxys:121586 phenio.json 1H-Indole-3-acetaldehyde|1H-indol-3-ylacetaldehyde|2-(Indol-3-yl)acetaldehyde|Indole-3-acetaldehyde|Indoleacetaldehyde|indole-3-acetaldehyde http://purl.obolibrary.org/obo/CHEBI_18086 3_STAR
CHEBI:18087 biolink:ChemicalSubstance myo-inositol polyphosphate KEGG:C11525 phenio.json myo-Inositol polyphosphate|myo-inositol polyphosphates http://purl.obolibrary.org/obo/CHEBI_18087 3_STAR
CHEBI:180876 biolink:ChemicalSubstance Norfluoxetine CAS:83891-03-6|Chemspider:4382|HMDB:HMDB0060551 phenio.json 3-phenyl-3-[4-(triluoromethyl)phenoxy]propan-1-amine http://purl.obolibrary.org/obo/CHEBI_180876 2_STAR
CHEBI:18088 biolink:ChemicalSubstance formononetin A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by a methoxy group at position 4'. Beilstein:1288158|CAS:485-72-3|HMDB:HMDB0005808|KEGG:C00858|KNApSAcK:C00002525|LINCS:LSM-19000|LIPID_MAPS_instance:LMPK12050037|MetaCyc:FORMONONETIN|PMID:16108819|PMID:24023812|Reaxys:237979|Wikipedia:Formononetin phenio.json 4'-O-methyldaidzein|7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone|7-Hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one|7-Hydroxy-4'-methoxyisoflavone|7-hydroxy-3-(4-methoxyphenyl)-4H-benzopyran-4-one|7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one|Formononetin|biochanin B|formononetol http://purl.obolibrary.org/obo/CHEBI_18088 3_STAR
CHEBI:18089 biolink:ChemicalSubstance N-benzoylglycine An N-acylglycine in which the acyl group is specified as benzoyl. CAS:495-69-2|HMDB:HMDB0000714|KEGG:C01586|KNApSAcK:C00030483|MetaCyc:CPD-425|PMID:14646363|PMID:15879000|PMID:16760132|PMID:17190852|PMID:19283696|PMID:19891605|PMID:20405919|PMID:22770225|PMID:7153346|PMID:8734460|PMID:9120876|PMID:9609721|Reaxys:1073987|Wikipedia:Hippuric_acid phenio.json Benzamidoacetic acid|Benzamidoessigsaeure|Benzoylaminoacetic acid|Benzoylaminoessigsaeure|Hippurate|Hippuric acid|Hippursaeure|N-Benzoylglycine|N-benzoylglycine|Phenylcarbonylaminoacetic acid http://purl.obolibrary.org/obo/CHEBI_18089 3_STAR
CHEBI:18090 biolink:ChemicalSubstance 3-aminopropanal A propanal having an amino substituent at the 3-position Beilstein:1738024|CAS:352-92-1|FooDB:FDB030407|HMDB:HMDB0001106|KEGG:C05665|MetaCyc:CPD-6082|PMID:11943872|PMID:12513695|PMID:12969020|PMID:15246852|PMID:17362887|PMID:26296314|PMID:34767295|PMID:36727473|PMID:37959847|PMID:9670045 phenio.json 3-Aminopropanal|3-Aminopropionaldehyde|3-aminopropanal|beta-Aminopropion aldehyde|beta-aminopropionaldehyde http://purl.obolibrary.org/obo/CHEBI_18090 3_STAR
CHEBI:180904 biolink:ChemicalSubstance (R)-nicardipine The R-enantiomer of nicardipine. CAS:76093-35-1|Chemspider:5036254|PMID:10204680|PMID:11214770|PMID:2432901|PMID:2981533|PMID:3023614|PMID:3350056|PMID:7503807|PMID:8641321 phenio.json (-)-nicardipine|(R)-YC-93 free base|2-[benzyl(methyl)amino]ethyl methyl (4R)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate|R-(-)-nicardipine http://purl.obolibrary.org/obo/CHEBI_180904 3_STAR
CHEBI:180905 biolink:ChemicalSubstance 2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate A dihydropyridine that is 1,4-dihydropyridine substituted by a methyl, {2-[benzyl(methyl)amino]ethoxy}carbonyl, 3-nitrophenyl, methoxycarbonyl and methyl groups at positions 2, 3, 4, 5 and 6, respectively. phenio.json 2-(benzylmethylamino)ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)pyridine-3,5-dicarboxylate|2-[benzyl(methyl)amino]ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate http://purl.obolibrary.org/obo/CHEBI_180905 3_STAR
CHEBI:180906 biolink:ChemicalSubstance terpenoid phytoalexin A class of terpenoids formed in plants in response to fungal infection, physical damage, chemical injury, or a pathogenic process. phenio.json terpenoid phytoalexins http://purl.obolibrary.org/obo/CHEBI_180906 3_STAR
CHEBI:18091 biolink:ChemicalSubstance asparagusic acid Beilstein:112178|CAS:2224-02-4|KEGG:C01892|KNApSAcK:C00000304 phenio.json 1,2-dithiolane-4-carboxylic acid|Asparagusate|Asparagusic acid|asparagusic acid http://purl.obolibrary.org/obo/CHEBI_18091 3_STAR
CHEBI:180911 biolink:ChemicalSubstance suramin(6-) An organosulfate oxoanion that is the hexanion of suramin resulting from the deprotonation of the six sulfo groups; major species at pH 7.3. phenio.json 8,8'-{carbonylbis[iminobenzene-3,1-diylcarbonylimino(4-methylbenzene-3,1-diyl)carbonylimino]}dinaphthalene-1,3,5-trisulfonate|suramin|suramin hexanion http://purl.obolibrary.org/obo/CHEBI_180911 3_STAR
CHEBI:18092 biolink:ChemicalSubstance 8'-apo-beta-carotenol Beilstein:2482406|KEGG:C06733 phenio.json 8'-apo-beta-Carotenol|8'-apo-beta-caroten-8'-ol|8'-apo-beta-carotenol http://purl.obolibrary.org/obo/CHEBI_18092 3_STAR
CHEBI:180930 biolink:ChemicalSubstance 6beta-hydroxyprednisone A glucocorticoid that is prednisone carrying a hydroxy group at the 6beta position. It is a metabolite of prednisone found in human urine. PMID:25800201 phenio.json (1R,3aS,3bS,5R,9aR,9bS,11aS)-1,5-dihydroxy-1-(hydroxyacetyl)-9a,11a-dimethyl-2,3,3a,3b,4,5,9a,9b,11,11a-decahydro-1H-cyclopenta[a]phenanthrene-7,10-dione|6beta,17,21-trihydroxypregna-1,4-diene-3,11,20-trione http://purl.obolibrary.org/obo/CHEBI_180930 3_STAR
CHEBI:180931 biolink:ChemicalSubstance GS-nitroimidazole A by-product in the activation of azathioprine to 6-mercaptopurine phenio.json http://purl.obolibrary.org/obo/CHEBI_180931 2_STAR
CHEBI:180932 biolink:ChemicalSubstance 2-hydroxyatorvastatin lactone An intermediate metabolite of the statin drug atorvastatin phenio.json 2-OH-ATVL http://purl.obolibrary.org/obo/CHEBI_180932 2_STAR
CHEBI:180934 biolink:ChemicalSubstance 4-hydroxyatorvastatin lactone An intermediate metabolite of the statin drug atorvastatin phenio.json 4-OH-ATVL http://purl.obolibrary.org/obo/CHEBI_180934 2_STAR
CHEBI:18094 biolink:ChemicalSubstance 1,4-dihydroxy-2-naphthoic acid A naphthoic acid that is 2-naphthoic acid substituted by hydroxy groups at positions 1 and 4. CAS:31519-22-9|ECMDB:ECMDB04054|KEGG:C03657|KNApSAcK:C00000736|PMID:1091286|PMID:23801651|Reaxys:2111226 phenio.json 1,4-Dihydroxy-2-naphthalenecarboxylic acid|1,4-Dihydroxy-2-naphthoic acid|1,4-dihydroxynaphthalene-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_18094 3_STAR
CHEBI:18095 biolink:ChemicalSubstance trans-4-hydroxy-L-proline An optically active form of 4-hydroxyproline having L-trans-configuration. CAS:51-35-4|Drug_Central:4272|HMDB:HMDB0000725|KEGG:C01157|KNApSAcK:C00001370|MetaCyc:4-HYDROXY-L-PROLINE|PDBeChem:HYP|PMID:1117843|PMID:1166829|PMID:12148113|PMID:14104082|PMID:14995121|PMID:15558350|PMID:16096557|PMID:16656634|PMID:16662024|PMID:16665943|PMID:17021603|PMID:19286848|PMID:590925|PMID:616023|PMID:6616407|PMID:6625779|PMID:6783274|PMID:7248905|PMID:7283558|PMID:7446210|PMID:899882|PMID:946341|Reaxys:81441 phenio.json (2S,4R)-4-hydroxy-2-pyrrolidinecarboxylic acid|(2S,4R)-trans-4-hydroxyproline|(4R)-4-hydroxy-L-proline|Hydroxy-L-proline|Hydroxyproline|Hyp|Hypro|L-4-Hydroxyproline|L-threo-4-hydroxyproline|delta-hydroxyproline|trans-4-Hydroxy-L-proline|trans-4-hydroxy-L-proline|trans-Hydroxyproline|trans-L-Hydroxyproline http://purl.obolibrary.org/obo/CHEBI_18095 3_STAR
CHEBI:18096 biolink:ChemicalSubstance N-acetylarylalkylamine A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen has been replaced by an aryl-substituted alkyl group. KEGG:C02998|MetaCyc:N-Acetylarylalkylamines phenio.json N-Acetylaralkylamine|N-Acetylarylalkylamine|N-acetyl aralkylamine|N-acetyl aralkylamines|N-acetyl arylalkylamines|N-acetylarylalkylamines|an N-acetylarylalkylamine http://purl.obolibrary.org/obo/CHEBI_18096 3_STAR
CHEBI:18097 biolink:ChemicalSubstance ferricytochrome b5 CAS:9035-39-6|KEGG:C00996 phenio.json Ferricytochrome b5 http://purl.obolibrary.org/obo/CHEBI_18097 3_STAR
CHEBI:18098 biolink:ChemicalSubstance CMP-N-glycoloyl-beta-neuraminic acid A CMP-N-acyl-beta-neuraminic acid in which the N-acyl group is glycoloyl. Beilstein:7789465|KEGG:C03691|PMID:15556760|PMID:27373998|Reaxys:7789465 phenio.json CMP-N-glycoloylneuraminate|CMP-N-glycolylneuraminate|CMP-Neu5Gc|CMP-NeuNGc|CMP-beta-Neu5Gc|cytidine 5'-[3,5-dideoxy-5-(2-hydroxyacetamido)-D-glycero-beta-D-galacto-non-2-ulopyranosylonic acid monophosphate]|cytidine-5'-monophosphono-N-glycoloyllneuraminic acid http://purl.obolibrary.org/obo/CHEBI_18098 3_STAR
CHEBI:18099 biolink:ChemicalSubstance cyclohexanol An alcohol that consists of cyclohexane bearing a single hydroxy substituent. The parent of the class of cyclohexanols. CAS:108-93-0|DrugBank:DB03703|KEGG:C00854|MetaCyc:CYCLOHEXANOL|PDBeChem:CXL|PMID:11682644|PMID:23825601|Reaxys:906744|UM-BBD_compID:c0175|Wikipedia:Cyclohexanol phenio.json 1-Cyclohexanol|Cyclohexan-1-ol|Cyclohexanol|Cyclohexyl alcohol|Hexahydrophenol|Hexalin|Hydrophenol|Hydroxycyclohexane|cyclohexanol http://purl.obolibrary.org/obo/CHEBI_18099 3_STAR
CHEBI:18100 biolink:ChemicalSubstance multi-methyl-branched fatty acyl-CoA A branched-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any multi-methyl-branched fatty acid. KEGG:C04013|PMID:3880746 phenio.json Multi-methyl-branched acyl-CoA|multi-methyl-branched fatty acyl-CoAs|multi-methyl-branched fatty acyl-coenzyme A|multi-methyl-branched fatty acyl-coenzyme As http://purl.obolibrary.org/obo/CHEBI_18100 3_STAR
CHEBI:18101 biolink:ChemicalSubstance 4-hydroxyphenylacetic acid A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. CAS:156-38-7|HMDB:HMDB0000020|KEGG:C00642|MetaCyc:4-HYDROXYPHENYLACETATE|PDBeChem:4HP|PMID:11339992|PMID:21476434|PMID:22296160|PMID:24636068|PMID:24831010|PMID:7126379|PMID:977696|Reaxys:1448766|UM-BBD_compID:c0271|Wikipedia:4-hydroxyphenylacetic_acid phenio.json (4-hydroxyphenyl)acetic acid|(p-hydroxyphenyl)acetic acid|4-Hydroxyphenylacetate|4-Hydroxyphenylacetic acid|4-carboxymethylphenol|4-hydroxybenzeneacetic acid|p-hydroxyphenylacetic acid http://purl.obolibrary.org/obo/CHEBI_18101 3_STAR
CHEBI:18102 biolink:ChemicalSubstance O-octanoyl-L-carnitine The L-enantiomer of an O-octanoylcarnitine. CAS:25243-95-2|HMDB:HMDB0000791|KEGG:C02838|LIPID_MAPS_instance:LMFA07070002|MetaCyc:L-OCTANOYLCARNITINE|PDBeChem:OCB|PMID:22770225|PMID:23078175|PMID:6888266 phenio.json (3R)-3-octanoyloxy-4-(trimethylammonio)butanoate|L-Octanoylcarnitine|L-octanoyl-L-carnitine|O-octanoyl-(R)-carnitine|O-octanoyl-R-carnitine http://purl.obolibrary.org/obo/CHEBI_18102 3_STAR
CHEBI:18103 biolink:ChemicalSubstance L-tyrosine methyl ester 4-sulfate An O-sulfoamino acid consisting of methyl L-tyrosinate in which the hydrogen of the phenolic hydroxy group has been replaced by a sulfo group. KEGG:C04201 phenio.json L-Tyrosine methyl ester 4-sulfate|methyl O-sulfo-L-tyrosinate http://purl.obolibrary.org/obo/CHEBI_18103 3_STAR
CHEBI:18104 biolink:ChemicalSubstance 2-dehydro-3-deoxy-D-fuconic acid A ketoaldonic acid comprising D-fuconic acid lacking the 3-hydroxy substituent and having a keto group at the 2-position. KEGG:C06159 phenio.json 2-Dehydro-3-deoxy-D-fuconate|2-dehydro-3-deoxy-D-fuconic acid|3,6-dideoxy-D-threo-hex-2-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_18104 3_STAR
CHEBI:181043 biolink:ChemicalSubstance Fraxinellone CAS:28808-62-0|Chemspider:110550 phenio.json (3R,3aR)-3-(uran-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzouran-1-one http://purl.obolibrary.org/obo/CHEBI_181043 2_STAR
CHEBI:18105 biolink:ChemicalSubstance keto-D-fructose 1-phosphate The open chain form of D-fructose 1-phosphate. CAS:15978-08-2|HMDB:HMDB0060467|KEGG:C01094|PMID:2078589|PMID:2197090|PMID:2996495|PMID:5246925|Reaxys:1728987 phenio.json 1-O-phosphono-D-fructose|D-Fructose 1-phosphate|D-fructose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_18105 3_STAR
CHEBI:18106 biolink:ChemicalSubstance deacetylipecoside An isoquinoline alkaloid consisting of beta-D-glucose having a (2S,3R,4S)-3-ethenyl-4-{[(1R)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolinium-1-yl]methyl}-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-2-yl group attached at the anomeric centre. KEGG:C07307 phenio.json Deacetylipecoside|methyl (2S,3R,4S)-3-ethenyl-4-{[(1R)-6,7-dihydroxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate http://purl.obolibrary.org/obo/CHEBI_18106 3_STAR
CHEBI:18107 biolink:ChemicalSubstance xanthosine A purine nucleoside in which xanthine is attached to ribofuranose via a beta-N(9)-glycosidic bond. CAS:146-80-5|HMDB:HMDB0000299|KEGG:C01762|KNApSAcK:C00007222|MetaCyc:XANTHOSINE|PMID:10879466|PMID:19176874|PMID:21071429|PMID:22698263|PMID:22731949|PMID:22770225|PMID:22932763|Reaxys:625906|Wikipedia:Xanthosine phenio.json 9-beta-D-Ribofuranosylxanthine|9-beta-D-ribofuranosyl-3,9-dihydro-1H-purine-2,6-dione|9-beta-D-ribofuranosylxanthine|Xanthine riboside|Xanthosine|xanthine 9-beta-D-ribofuranoside|xanthosine http://purl.obolibrary.org/obo/CHEBI_18107 3_STAR
CHEBI:18110 biolink:ChemicalSubstance 3-phosphonatooxypyruvate(3-) A carboxyalkyl phosphate oxoanion resuting from deprotonation of the carboxy and phosphate groups of 3-phosphooxypyruvic acid. KEGG:C03232|MetaCyc:3-P-HYDROXYPYRUVATE phenio.json 2-oxo-3-(phosphonatooxy)propanoate|3-Phosphohydroxypyruvate|3-Phosphonooxypyruvate|3-phosphooxypyruvate|phosphohydroxypyruvate http://purl.obolibrary.org/obo/CHEBI_18110 3_STAR
CHEBI:18111 biolink:ChemicalSubstance ribosomal RNA RNA molecules which are essential structural and functional components of ribosomes, the subcellular units responsible for protein synthesis. KEGG:C00240 phenio.json Ribosomal RNA|rRNA|ribosomal RNA http://purl.obolibrary.org/obo/CHEBI_18111 3_STAR
CHEBI:18112 biolink:ChemicalSubstance 2-aminophenol The aminophenol which has the single amino substituent located ortho to the phenolic -OH group. CAS:95-55-6|DrugBank:DB01726|Gmelin:26978|Gmelin:606075|KEGG:C01987|KNApSAcK:C00007533|PDBeChem:2AF|PMID:11304127|PMID:1395635|PMID:24124510|PMID:24571346|PMID:9683650|Reaxys:606075|UM-BBD_compID:c0316|Wikipedia:2-Aminophenol phenio.json 2-AMINOPHENOL|2-Aminobenzenol|2-Aminophenol|2-Hydroxyaniline|2-aminophenol|o-Aminophenol|o-hydroxyaniline http://purl.obolibrary.org/obo/CHEBI_18112 3_STAR
CHEBI:18115 biolink:ChemicalSubstance 4-hydroxymandelonitrile A cyanohydrin that is obtained by the formal addition of hydrogen cyanide to the aldehyde group of 4-hydroxybenzaldehyde. CAS:13093-65-7|KEGG:C00650|Reaxys:1367224 phenio.json 2-hydroxy-2-(4-hydroxyphenyl)acetonitrile|4-Hydroxymandelonitrile|4-hydroxybenzaldehyde cyanonhydrin|4-hydroxymandelonitrile|alpha,4-dihydroxybenzeneacetonitrile|hydroxy(4-hydroxyphenyl)acetonitrile|p-hydroxymandelonitrile|para-hydroxymandelonitrile http://purl.obolibrary.org/obo/CHEBI_18115 3_STAR
CHEBI:18116 biolink:ChemicalSubstance pseudouridine 5'-phosphate A C-nucleoside phosphate consisting of pseudouridine having a monophosphate group at the 5'-position. CAS:1157-60-4|HMDB:HMDB0001271|KEGG:C01168|PDBeChem:PSU phenio.json (1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol|(1S)-1,4-anhydro-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol 5-(dihydrogen phosphate)|5-(5-O-phosphono-beta-D-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione|Pseudouridine 5'-phosphate http://purl.obolibrary.org/obo/CHEBI_18116 3_STAR
CHEBI:18117 biolink:ChemicalSubstance 3-ADP-2-phosphoglyceric acid A 3-ADP-glyceric acid having a phosphate group at the 2-position of the glyceric acid moiety. KEGG:C03673 phenio.json 3-(ADP)-2-phosphoglycerate|3-{[(adenosin-5'-yl)(hydroxy)phosphoryloxy](hydroxy)phosphoryloxy}-2-(phosphonooxy)propanoic acid http://purl.obolibrary.org/obo/CHEBI_18117 3_STAR
CHEBI:18118 biolink:ChemicalSubstance L-xylono-1,4-lactone KEGG:C02994 phenio.json (3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)dihydrofuran-2(3H)-one|L-Xylono-1,4-lactone|L-xylono-1,4-lactone http://purl.obolibrary.org/obo/CHEBI_18118 3_STAR
CHEBI:18119 biolink:ChemicalSubstance ethyl 3-oxohexanoate CAS:3249-68-1|KEGG:C02975 phenio.json Ethyl 3-oxohexanoate|Ethyl butyrylacetate|ethyl 3-oxohexanoate http://purl.obolibrary.org/obo/CHEBI_18119 3_STAR
CHEBI:18120 biolink:ChemicalSubstance 5-aminopentanamide A fatty amide consisting of pentanamide having an amino substituent at the 5-position. CAS:13023-70-6|KEGG:C00990 phenio.json 5-Aminopentanamide|5-aminopentanamide|5-aminovaleramide|5-aminovaleric acid amide http://purl.obolibrary.org/obo/CHEBI_18120 3_STAR
CHEBI:18123 biolink:ChemicalSubstance N-methylnicotinate An iminium betaine that is the conjugate base of N-methylnicotinic acid, arising from deprotonation of the carboxy group. Beilstein:3905114|CAS:535-83-1|HMDB:HMDB0000875|KEGG:C01004|KNApSAcK:C00001555|MetaCyc:METHYLNICOTINATE|PMID:13128691|PMID:17190852|PMID:185134|PMID:22242555|PMID:22312719|PMID:22393699|PMID:22559314|PMID:24047691|Reaxys:3905114 phenio.json 1-Methyl-3-pyridiniumcarboxylate|1-Methylpyridinio-3-carboxylate|1-methylnicotinate|1-methylpyridinium-3-carboxylate|3-Carboxy-1-methylpyridinium hydroxide inner salt|Betain nicotinate|Betaine nicotinate|Caffearin|Caffearine|Coffearin|Gynesine|N'-Methylnicotinate|N-Methylnicotinate|N-methyl-nicotinate|N-methylnicotinate|Nicotinic acid N-methylbetaine|Trigenelline|Trigonellin|Trigonelline http://purl.obolibrary.org/obo/CHEBI_18123 3_STAR
CHEBI:18124 biolink:ChemicalSubstance phosphonoacetaldehyde A phosphonic acid consisting of acetaldehyde with the phospho group at the 2-position. DrugBank:DB03174|KEGG:C03167|KNApSAcK:C00000799 phenio.json (2-oxoethyl)phosphonic acid|2-Oxoethylphosphonate|2-Phosphonoacetaldehyde|Phosphonoacetaldehyde http://purl.obolibrary.org/obo/CHEBI_18124 3_STAR
CHEBI:18125 biolink:ChemicalSubstance trans-2-coumaric acid The trans-isomer of 2-coumaric acid. CAS:583-17-5|CAS:614-60-8|DrugBank:DB01650|Gmelin:1319861|HMDB:HMDB0002641|KEGG:C01772|PDBeChem:2HC|PMID:23293469|Reaxys:1100900|Wikipedia:O-Coumaric_acid phenio.json (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID|(2E)-3-(2-hydroxyphenyl)-2-propenoic acid|(2E)-3-(2-hydroxyphenyl)prop-2-enoic acid|(E)-2-hydroxycinnamic acid|(E)-3-(2-hydroxy-phenyl)-acrylic acid|(E)-3-(2-hydroxyphenyl)-2-propenoic acid|(E)-o-hydroxycinnamic acid|2-Coumarate|2-Coumaric acid|2-Hydroxycinnamate|o-Coumaric acid|o-hydroxy-trans-cinnamic acid|trans-2-Hydroxycinnamate|trans-2-Hydroxycinnamic acid|trans-o-hydroxycinnamic acid http://purl.obolibrary.org/obo/CHEBI_18125 3_STAR
CHEBI:181259 biolink:ChemicalSubstance Destruxin B Chemspider:378942|Chemspider:9299946 phenio.json (3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone|16-butan-2-yl-10,11,14-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone http://purl.obolibrary.org/obo/CHEBI_181259 2_STAR
CHEBI:18126 biolink:ChemicalSubstance S-acylglutathione Any glutathione carrying an S-acyl substituent. KEGG:C02589 phenio.json S-Acylglutathione|S-acylglutathiones http://purl.obolibrary.org/obo/CHEBI_18126 3_STAR
CHEBI:18127 biolink:ChemicalSubstance cadaverine An alkane-alpha,omega-diamine comprising a straight-chain pentane core with amino substitutents at positions 1 and 5. A colourless syrupy liquid diamine with a distinctive unpleasant odour, it is a homologue of putresceine and is formed by the bacterial decarboxylation of lysine that occurs during protein hydrolysis during putrefaction of animal tissue. It is also found in plants such as soyabean. CAS:462-94-2|DrugBank:DB03854|Gmelin:2310|HMDB:HMDB0002322|KEGG:C01672|KNApSAcK:C00001403|MetaCyc:CADAVERINE|PDBeChem:N2P|PMID:10930630|PMID:11397445|PMID:11517436|PMID:16346523|PMID:16668466|PMID:17439666|PMID:23561112|PMID:23794626|PMID:23811038|PMID:23887488|Reaxys:1697256|Wikipedia:Cadaverine phenio.json 1,5-Diaminopentane|1,5-Pentanediamine|1,5-pentamethylenediamine|Cadaverine|DAPE|PENTANE-1,5-DIAMINE|Pentamethylenediamine|pentane-1,5-diamine http://purl.obolibrary.org/obo/CHEBI_18127 3_STAR
CHEBI:18128 biolink:ChemicalSubstance luteolin 7-O-beta-D-glucosiduronic acid A luteolin glucosiduronic acid consisting of luteolin having a beta-D-glucosiduronic acid residue attached at the 7-position. CAS:29741-10-4|KEGG:C03515|LIPID_MAPS_instance:LMPK12110644|MetaCyc:LUTEOLIN-7-O-BETA-D-GLUCURONIDE|PMID:12088434|PMID:1620743|PMID:7766058|Reaxys:5785426 phenio.json 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranosiduronic acid|Cyanidenon-7-O-beta-D-glucuronic acid|Luteolin 7-O-beta-D-glucuronopyranoside|Luteolin 7-O-glucuronide|Luteolin 7-glucuronide http://purl.obolibrary.org/obo/CHEBI_18128 3_STAR
CHEBI:18129 biolink:ChemicalSubstance (S)-2-hydroxyoctadecanoic acid An optically active form of 2-hydroxyoctadecanoic acid having (S)-configuration. KEGG:C03045|LIPID_MAPS_instance:LMFA01050286 phenio.json (2S)-2-hydroxyoctadecanoic acid|(S)-2-hydroxystearic acid http://purl.obolibrary.org/obo/CHEBI_18129 3_STAR
CHEBI:18130 biolink:ChemicalSubstance (-)-5-oxo-1,2-campholide An optically active 5-oxo-1,2-campholide having (-)-(1R,5R)-configuration. KEGG:C02952|LIPID_MAPS_instance:LMPR0102120042 phenio.json (1R,4R)-5-oxo-1,2-campholide|(1R,5R)-1,8,8-trimethyl-2-oxabicyclo[3.2.1]octane-3,6-dione|5-Oxo-1,2-campholide http://purl.obolibrary.org/obo/CHEBI_18130 3_STAR
CHEBI:18131 biolink:ChemicalSubstance licodione A beta-diketone that is acetylacetone in which a 4-hydroxyphenyl group and a 2,4-dihydroxyphenyl group replace the two methyl groups. CAS:61153-76-2|KEGG:C01592|KNApSAcK:C00006994|LIPID_MAPS_instance:LMPK12120396|MetaCyc:LICODIONE|PMID:10540749|PMID:9055445|Reaxys:2700999 phenio.json 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione|Licodione http://purl.obolibrary.org/obo/CHEBI_18131 3_STAR
CHEBI:18132 biolink:ChemicalSubstance phosphocholine The phosphate of choline; and the parent compound of the phosphocholine family. CAS:107-73-3|DrugBank:DB03945|Gmelin:2594827|HMDB:HMDB0001565|KEGG:C00588|KNApSAcK:C00007299|PDBeChem:PC|PMID:10456913|PMID:10596404|PMID:10811914|PMID:11437497|PMID:11908950|PMID:15267227|PMID:15583011|PMID:18684852|PMID:19369878|PMID:19748321|PMID:19758165|PMID:23572077|PMID:24012478|PMID:6420466|PMID:6790611|PMID:7450902|Reaxys:1784889 phenio.json ChoP|Choline phosphate|N,N,N-trimethyl-2-(phosphonooxy)ethanaminium|N-Trimethyl-2-aminoethylphosphonate|O-Phosphocholine|O-phosphocholine|PHOSPHOCHOLINE|Phosphocholine|Phosphoryl-choline|Phosphorylcholine|Trimethyl(2-(phosphonooxy)ethyl)ammonium http://purl.obolibrary.org/obo/CHEBI_18132 3_STAR
CHEBI:18133 biolink:ChemicalSubstance hexose Any six-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldohexose) or a ketone group at position 2 (ketohexose). GlyGen:G70994MS|GlyTouCan:G70994MS|KEGG:C00738 phenio.json Hexose|WURCS=2.0/1,1,0/[axxxxh-1x_1-5_2*NCC/3=O]/1/|hexoses http://purl.obolibrary.org/obo/CHEBI_18133 3_STAR
CHEBI:18134 biolink:ChemicalSubstance 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid A steroid acid consisting of 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene having a carboxy group at the 4-position. KEGG:C04840 phenio.json 3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylate|3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_18134 3_STAR
CHEBI:18135 biolink:ChemicalSubstance catechol A benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other. CAS:120-80-9|CAS:12385-08-9|DrugBank:DB02232|Gmelin:2936|HMDB:HMDB0000957|KEGG:C00090|KEGG:C01785|KEGG:C15571|KNApSAcK:C00002644|MetaCyc:CATECHOL|PDBeChem:CAQ|PMID:10651166|PMID:11470755|PMID:15951152|PMID:16610220|Reaxys:471401|UM-BBD_compID:c0097|Wikipedia:Catechol phenio.json 1,2-Benzenediol|1,2-Dihydroxybenzene|2-hydroxyphenol|Brenzcatechin|Catechol|Pyrocatechol|alpha-hydroxyphenol|benzene-1,2-diol|catechol|o-Benzenediol|o-hydroxyphenol|pyrocatechin http://purl.obolibrary.org/obo/CHEBI_18135 3_STAR
CHEBI:18136 biolink:ChemicalSubstance 3-(2,3-dihydroxyphenyl)propanoic acid A monocarboxylic acid that is propionic acid carrying a 2,3-dihydroxyphenyl substituent at C-3; a microbial metabolite of quinoline. Beilstein:2938830|CAS:3714-73-6|KEGG:C04044 phenio.json 2,3-DHP|2,3-Dhppa|2,3-Dihydroxyphenylpropionic acid|2,3-dihydroxy-beta-phenylpropionic acid|2,3-dihyrroxybenzenepropanoic acid|3,4-dihydroxyhydrocinnamic acid|3-(2,3-dihydroxyphenyl)propanoic acid|3-(2,3-dihydroxyphenyl)propionic acid|hydrocaffeic acid http://purl.obolibrary.org/obo/CHEBI_18136 3_STAR
CHEBI:18137 biolink:ChemicalSubstance heparan sulfate alpha-D-glucosaminide A heparan sulfate having an alpha-D-glucosaminyl residue at the non-reducing end. The heparan sulfate part consists of a variably sulfated repeating disaccharide unit. KEGG:C04384|KEGG:C17141 phenio.json Heparan sulfate alpha-D-glucosaminide http://purl.obolibrary.org/obo/CHEBI_18137 3_STAR
CHEBI:18138 biolink:ChemicalSubstance biuret A member of the class of condensed ureas that is the compound formed by the condensation of two molecules of urea; the parent compound of the biuret group of compounds. Used as a non-protein nitrogen source in ruminant feed. CAS:108-19-0|Gmelin:49702|KEGG:C06555|MetaCyc:CPD-809|PMID:24575873|PMID:5391979|Reaxys:1703510|UM-BBD_compID:c0164|Wikipedia:Biuret phenio.json (aminocarbonyl)urea|2-imidodicarbonic diamide|Biuret|allophanamide|biuret|carbamoylurea|dicarbonimidic diamide|imidodicarbonic diamide|ureidoformamide http://purl.obolibrary.org/obo/CHEBI_18138 3_STAR
CHEBI:18139 biolink:ChemicalSubstance trimethylamine A tertiary amine that is ammonia in which each hydrogen atom is substituted by an methyl group. CAS:75-50-3|Gmelin:1309|HMDB:HMDB0000906|KEGG:C00565|KNApSAcK:C00001433|MetaCyc:TRIMETHYLAMINE|PDBeChem:KEN|PMID:14047118|PMID:15304308|PMID:15752091|PMID:17190852|PMID:1801314|PMID:24591617|PMID:2501587|PMID:5161463|Reaxys:956566|Wikipedia:Trimethylamine phenio.json (CH3)3N|N(CH3)3|N,N,N-trimethylamine|N,N-Dimethylmethanamine|N,N-dimethylmethanamine|NMe3|TMA|Trimethylamin|Trimethylamine|tridimethylaminomethane http://purl.obolibrary.org/obo/CHEBI_18139 3_STAR
CHEBI:18140 biolink:ChemicalSubstance hydrogen halide phenio.json hydrogen halide|hydrogen halides http://purl.obolibrary.org/obo/CHEBI_18140 3_STAR
CHEBI:18142 biolink:ChemicalSubstance N(6')-acetylkanamycin B An N(6')-acetylkanamycin derived from kanamycin B. KEGG:C03154 phenio.json (1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 6-acetamido-2-amino-2,6-dideoxy-alpha-D-glucopyranoside|N6'-Acetylkanamycin-B http://purl.obolibrary.org/obo/CHEBI_18142 3_STAR
CHEBI:18144 biolink:ChemicalSubstance all-trans-nonaprenyl diphosphate A nonaprenyl diphosphate where all C=C double bonds have (E)-configuration. CAS:60037-55-0|KEGG:C04145|KNApSAcK:C00007289 phenio.json (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl trihydrogen diphosphate|Diphosphoric acid, mono(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl) ester, (all-E)-|Solanesyl diphosphate|Solanesyl pyrophosphate|all-trans-Nonaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_18144 3_STAR
CHEBI:18145 biolink:ChemicalSubstance (R,R,R)-alpha-tocopherol An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. Beilstein:5300493|CAS:59-02-9|Chemspider:14265|DrugBank:DB00163|Drug_Central:4280|FooDB:FDB000565|HMDB:HMDB0001893|KEGG:C02477|KNApSAcK:C00007366|LIPID_MAPS_instance:LMPR02020001|MetaCyc:ALPHA-TOCOPHEROL|PDBeChem:VIV|PMID:11427352|PMID:12899840|PMID:14657365|PMID:16512933|PMID:17031012|PMID:17310859|PMID:19389964|PMID:19663978|PMID:20209471|PMID:21591326|PMID:23599266|PMID:28694484|PMID:31013594|PMID:33197771|Reaxys:94012|Wikipedia:Alpha-Tocopherol phenio.json (+)-alpha-tocopherol|(2R)-2,5,7,8-TETRAMETHYL-2-[(4R,8R)-4,8,12-TRIMETHYLTRIDECYL]CHROMAN-6-OL|(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol|(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol|(2R,4'R,8'R)-alpha-tocopherol|(R,R,R)-alpha-tocopherol|(all-R)-alpha-tocopherol|5,7,8-trimethyltocol|RRR-alpha-tocopherol|Vitamin E|alpha-Tocopherol|d-alpha-tocopherol http://purl.obolibrary.org/obo/CHEBI_18145 3_STAR
CHEBI:18146 biolink:ChemicalSubstance (R)-canadine A canadine which has R configuration. Beilstein:96685|KEGG:C11818 phenio.json (13aR)-9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline|(R)-Canadine|(R)-canadine http://purl.obolibrary.org/obo/CHEBI_18146 3_STAR
CHEBI:18147 biolink:ChemicalSubstance beta-maltose A maltose that has beta-configuration at the reducing end anomeric centre. Beilstein:5758727|CAS:133-99-3|CAS:69-79-4|Drug_Central:1628|Gmelin:1617409|KEGG:C01971|MetaCyc:MALTOSE|PMID:10923783|PMID:15665241|PMID:17439666|PMID:1839610|PMID:19443021|PMID:20477758|PMID:20480118|PMID:31537530|PMID:7796915|PMID:8495446|Patent:CN101484460|Patent:EP2045255|Patent:KR20090026341|Patent:US2009292116|Reaxys:90844|Wikipedia:Maltose phenio.json 4-(alpha-D-Glucopyranosido)-alpha-glucopyranose|4-O-alpha-D-Glucopyranosyl-D-glucose|4-O-alpha-D-glucopyranosyl-beta-D-glucopyranose|D-Maltose|Glca1-4Glcb|Glcalpha1-4Glcbeta|Maltobiose|alpha-D-Glcp-(1->4)-beta-D-Glcp|alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranose|beta-D-glucopyranose, 4-O-alpha-D-glucopyranosyl-|beta-Maltose|beta-maltose http://purl.obolibrary.org/obo/CHEBI_18147 3_STAR
CHEBI:18148 biolink:ChemicalSubstance alpha-D-glucose 1,6-bisphosphate A D-glucose 1,6-bisphosphate in which both phosphate groups are monophosphates. CAS:10139-18-1|DrugBank:DB02835|FooDB:FDB023185|HMDB:HMDB0003514|KEGG:C01231|MetaCyc:ALPHA-GLUCOSE-16-BISPHOSPHATE|PDBeChem:G16|PMID:125609|PMID:1449560|PMID:1533182|PMID:1825156|PMID:20153838|PMID:2140696|PMID:31356|PMID:37556117|PMID:8418857|Reaxys:94613 phenio.json 1,6-di-O-phosphono-alpha-D-glucopyranose|D-Glucose 1,6-biphosphate|alpha-D-Glucose 1,6-biphosphate|alpha-D-glucopyranose 1,6-bis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_18148 3_STAR
CHEBI:18150 biolink:ChemicalSubstance 7-phospho-2-dehydro-3-deoxy-D-arabino-heptonic acid A ketoaldonic acid phosphate consisting of 2-dehydro-3-deoxy-D-arabino-heptonic acid having a phospho group at the 7-position. Beilstein:9347056|CAS:2627-73-8|KEGG:C04691|KNApSAcK:C00007497 phenio.json 2-Dahp|2-Dehydro-3-deoxy-D-arabino-heptonate 7-phosphate|3-Deoxy-D-arabino-hept-2-ulosonate 7-phosphate|3-Deoxy-D-arabino-heptulosonic acid 7-phosphate|3-Deoxy-arabino-heptulonate 7-phosphate|3-deoxy-7-O-phosphono-D-arabino-hept-2-ulosonic acid|3-deoxy-D-arabino-2-heptulosonic acid 7-(dihydrogen phosphate)|3-deoxy-D-arabino-heptulosonate-7-phosphate|DAHP http://purl.obolibrary.org/obo/CHEBI_18150 3_STAR
CHEBI:18151 biolink:ChemicalSubstance menaquinol Any polyprenylhydroquinone having a polyprenyl moiety at position 2 and a methyl group at position 3.. KEGG:C05819 phenio.json Menaquinol|Reduced menaquinone|Reduced vitamin K2|Vitamin K2 hydroquinone|a menaquinol http://purl.obolibrary.org/obo/CHEBI_18151 3_STAR
CHEBI:18152 biolink:ChemicalSubstance myricetin A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. It has been isolated from the leaves of Myrica rubra and other plants. CAS:529-44-2|DrugBank:DB02375|HMDB:HMDB0002755|KEGG:C10107|KNApSAcK:C00001071|LINCS:LSM-2957|LIPID_MAPS_instance:LMPK12110001|MetaCyc:MYRICETIN|PDBeChem:MYC|PMID:19407970|PMID:19778600|PMID:22482362|PMID:23099505|PMID:23232835|PMID:23265454|PMID:23736695|Reaxys:332331|Wikipedia:Myricetin phenio.json 3,3',4',5,5',7-Hexahydroxyflavone|3,5,7,3',4',5'-Hexahydroxyflavone|3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one|Cannabiscetin|Myricetin|Myricetol http://purl.obolibrary.org/obo/CHEBI_18152 3_STAR
CHEBI:18153 biolink:ChemicalSubstance ethene BPDB:2009|Beilstein:1730731|CAS:74-85-1|Gmelin:214|KEGG:C06547|KNApSAcK:C00000175|UM-BBD_compID:c0359 phenio.json Aethen|Aethylen|CH2=CH2|Ethylene|H2C=CH2|R-1150|ethene http://purl.obolibrary.org/obo/CHEBI_18153 3_STAR
CHEBI:18154 biolink:ChemicalSubstance polysaccharide A biomacromolecule consisting of large numbers of monosaccharide residues linked glycosidically. This term is commonly used only for those containing more than ten monosaccharide residues. KEGG:C00420 phenio.json Glycan|Glycane|Glykan|Glykane|Polysaccharide|glycans|polisacarido|polisacaridos|polysaccharides http://purl.obolibrary.org/obo/CHEBI_18154 3_STAR
CHEBI:18157 biolink:ChemicalSubstance aerobactin CAS:26198-65-2|FooDB:FDB023292|HMDB:HMDB0004051|KEGG:C05554|MetaCyc:AEROBACTIN|PMID:17600077|PMID:22716772|PMID:23460907|PMID:24664504|PMID:26056379|PMID:28654175|PMID:28736222|PMID:29618511|PMID:29991301|PMID:31032610|PMID:31328596|PMID:31847813|PMID:32432457|PMID:6456229|Wikipedia:Aerobactin phenio.json (8S,16S)-3,12,21-trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid|Aerobactin|N(2),N(2)'-(3-carboxy-3-hydroxypentanedioyl)bis(N(6)-acetyl-N(6)-hydroxy-L-lysine) http://purl.obolibrary.org/obo/CHEBI_18157 3_STAR
CHEBI:18163 biolink:ChemicalSubstance alpha-NeuNAc-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-NeuNAc-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer A sialotetraosylceramide consisting of a branched hexasaccharide made up from two sialyl residues, two galactose residues, one N-acetylgalactosamine residue and a glucose residue at the reducing end attached to the ceramide portion via a beta-linkage. KEGG:C04927|KEGG:G00111|PMID:15546874|PMID:1567198|PMID:1724444|PMID:17855742|PMID:19221437|PMID:19726417|PMID:2303428|PMID:2448252|PMID:24841627|PMID:25748038|PMID:25867522|PMID:26050638|PMID:28416698|PMID:6204642|PMID:7534889|PMID:7553668|PMID:7691279|PMID:7693874 phenio.json (2S,3R,4E)-2-acylamino-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|(Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)2 (Cer)1|GD1a|N-Acetylneuraminyl-D-galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide|NeuAc(alpha2-3)Gal(beta1-3)GalNAc(beta1-4)[NeuAc(alpha2-3)]Gal(beta1-4)Glc(beta1-1)Cer|NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-3)Galbeta1-4Glcbeta1-1Cer|NeuAcalpha2->3Galbeta1->3GalNAcbeta1->4(NeuAcalpha2->3)Galbeta1->4Glcbeta1-1Cer|alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine|alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphing-4-enine|alpha-NeupNAc-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-NeupNAc-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer|ganglioside GD1a http://purl.obolibrary.org/obo/CHEBI_18163 3_STAR
CHEBI:18164 biolink:ChemicalSubstance (2S)-2-hydroxyphytanic acid A 20-carbon, methyl-branched hydroxy fatty acid and intermediate in phytanic acid degradation; accumulates in patients with peroxisimal disorders. KEGG:C02982|PMID:1385561 phenio.json (2S)-2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid|L-2-hydroxyphytanic acid http://purl.obolibrary.org/obo/CHEBI_18164 3_STAR
CHEBI:18165 biolink:ChemicalSubstance isopenicillin N Beilstein:5311821|DrugBank:DB03550|KEGG:C05557|KNApSAcK:C00000778|PDBeChem:IP1 phenio.json (2S,5R,6R)-6-[(5S)-5-amino-5-carboxypentanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6beta-[(5S)-5-amino-5-carboxypentanamido]-2,2-dimethylpenam-3alpha-carboxylic acid|ISOPENICILLIN N|Isopenicillin N http://purl.obolibrary.org/obo/CHEBI_18165 3_STAR
CHEBI:181662 biolink:ChemicalSubstance Meranzin hydrate Chemspider:4247554 phenio.json 8-(2,3-dihydroxy-3-methylbutyl)-7-methoxychromen-2-one http://purl.obolibrary.org/obo/CHEBI_181662 2_STAR
CHEBI:18167 biolink:ChemicalSubstance alpha-maltose A maltose that has alpha-configuration at the reducing end anomeric centre. CAS:4482-75-1|Gmelin:1485260|HMDB:HMDB0000163|KEGG:C00897|MetaCyc:ALPHA-MALTOSE|PDBeChem:MAL|PMID:17669381|PMID:19443021|PMID:25568069|PMID:31537530|Reaxys:1292753|Wikipedia:Maltose phenio.json 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose|Glca1-4Glca|Glcalpha1-4Glca|Glcalpha1-4Glcalpha|MALTOSE|alpha-D-Glcp-(1->4)-alpha-D-Glcp|alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose|alpha-Malt sugar|alpha-Maltose|alpha-maltose http://purl.obolibrary.org/obo/CHEBI_18167 3_STAR
CHEBI:18168 biolink:ChemicalSubstance 2-oxophytanic acid KEGG:C02117 phenio.json 2-Oxophytanate|2-Oxophytanic acid|3,7,11,15-tetramethyl-2-oxohexadecanoic acid http://purl.obolibrary.org/obo/CHEBI_18168 3_STAR
CHEBI:18169 biolink:ChemicalSubstance 1D-myo-inositol 3-phosphate Beilstein:2622083|CAS:2831-74-5|KEGG:C04006|PDBeChem:LIP phenio.json 1D-myo-Inositol 3-monophosphate|1D-myo-Inositol 3-phosphate|1L-myo-Inositol 1-phosphate|1L-myo-inositol 1-(dihydrogen phosphate)|D-myo-Inositol 3-monophosphate|D-myo-Inositol 3-phosphate|Inositol 3-phosphate|L-myo-Inositol 1-phosphate|Myoinositol 3-phosphate http://purl.obolibrary.org/obo/CHEBI_18169 3_STAR
CHEBI:18170 biolink:ChemicalSubstance selenic acid CAS:7783-08-6|KEGG:C05697|PDBeChem:SE4 phenio.json H2SeO4|Selenic acid|[SeO2(OH)2]|dihydroxidodioxidoselenium|selenic acid http://purl.obolibrary.org/obo/CHEBI_18170 3_STAR
CHEBI:18171 biolink:ChemicalSubstance 8-O-methylsterigmatocystin CAS:17878-69-2|KEGG:C03686|KNApSAcK:C00023634|LIPID_MAPS_instance:LMPK10000003 phenio.json (3aR,12cS)-6,8-dimethoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one|7-O-Methylsterigmatocystin|8-O-methylsterigmatocystin|O-Methyl sterigmatocystin|O-Methylsterigmatocystin http://purl.obolibrary.org/obo/CHEBI_18171 3_STAR
CHEBI:18172 biolink:ChemicalSubstance fluoroacetate A haloacetate(1-) resulting from the deprotonation of the carboxy group of fluoroacetic acid. CAS:513-62-2|Gmelin:323482|KEGG:C06108|Reaxys:3536125|UM-BBD_compID:c0801 phenio.json FCH2CO2 anion|fluoroacetate|fluoroacetic acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_18172 3_STAR
CHEBI:18176 biolink:ChemicalSubstance 2-coumaric acid A monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. AGR:IND43878326|AGR:IND44077244|CAS:583-17-5|PMID:24248866|PMID:24868863|Reaxys:2207352 phenio.json 2-Hydroxycinnamate|2-hydroxycinnamic acid|3-(2-hydroxyphenyl)acrylic acid|3-(2-hydroxyphenyl)prop-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_18176 3_STAR
CHEBI:18177 biolink:ChemicalSubstance N-acetylphenylethylamine Beilstein:2208721|CAS:877-95-2|KEGG:C06746 phenio.json N-(2-Phenylethyl)-acetamide|N-(2-phenylethyl)acetamide|N-Acetylphenylethylamine|N-acetylphenethylamine|N-beta-phenylethylacetamide|N-phenethylacetamide http://purl.obolibrary.org/obo/CHEBI_18177 3_STAR
CHEBI:18179 biolink:ChemicalSubstance phosphoinositide Any phosphatidylinositol that is phosphorylated at one or more of the hydroxy groups of inositol. PMID:10782093|PMID:15269334|PMID:17035995|PMID:19154715 phenio.json http://purl.obolibrary.org/obo/CHEBI_18179 3_STAR
CHEBI:18183 biolink:ChemicalSubstance 5-oxo-L-proline An optically active form of 5-oxoproline having L-configuration. Beilstein:5251861|CAS:98-79-3|DrugBank:DB03088|Gmelin:1125330|HMDB:HMDB0000267|KEGG:C01879|KNApSAcK:C00007403|MetaCyc:5-OXOPROLINE|PDBeChem:PCA|PMID:17439666|PMID:22560249|PMID:22619187|Reaxys:82132|Wikipedia:Pyroglutamic_acid|YMDB:YMDB00107 phenio.json (-)-2-pyrrolidone-5-carboxylic acid|(2S)-5-oxopyrrolidine-2-carboxylic acid|(S)-(-)-2-pyrrolidone-5-carboxylic acid|(S)-pyroglutamic acid|5-Oxo-L-proline|5-Pyrrolidone-2-carboxylic acid|5-oxo-L-proline|L-5-Pyrrolidone-2-carboxylic acid|L-Pyroglutamic acid|PYROGLUTAMIC ACID|Pyroglutamate|Pyroglutamic acid|pidolic acid http://purl.obolibrary.org/obo/CHEBI_18183 3_STAR
CHEBI:18184 biolink:ChemicalSubstance 3,5,3'-triiodothyropyruvic acid KEGG:C03832 phenio.json 3,5,3'-triiodophenylpyruvic acid|3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoate|3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-2-oxopropanoic acid http://purl.obolibrary.org/obo/CHEBI_18184 3_STAR
CHEBI:18185 biolink:ChemicalSubstance gamma-tocopherol A tocopherol in which the chroman-6-ol core is substituted by methyl groups at positions 7 and 8. It is found particularly in maize (corn) oil and soya bean (soybean) oils. AGR:IND605428769|AGR:IND607289207|CAS:54-28-4|Chemspider:83708|DrugBank:DB15394|FooDB:FDB002431|HMDB:HMDB0001492|KEGG:C02483|KNApSAcK:C00007365|LIPID_MAPS_instance:LMPR02020065|MetaCyc:GAMA-TOCOPHEROL|PMID:10875465|PMID:1146729|PMID:11811542|PMID:14871472|PMID:14988604|PMID:15189696|PMID:15190048|PMID:15213374|PMID:15256801|PMID:15493460|PMID:15753151|PMID:15932790|PMID:16115338|PMID:16336861|PMID:16384840|PMID:16400056|PMID:16481153|PMID:16875031|PMID:17823432|PMID:18582912|PMID:19838939|PMID:22411374|PMID:22513202|PMID:22607470|PMID:22888664|PMID:23429409|PMID:2388136|PMID:23993952|PMID:25501796|PMID:25916693|PMID:28211759|PMID:28506847|PMID:28629117|PMID:30361021|PMID:31136626|PMID:31583056|PMID:31957471|PMID:32065446|PMID:32197490|PMID:32488024|PMID:33352218|PMID:33549947|PMID:6618108|PMID:6875389|PMID:6959572|PMID:8514270|PMID:9537614|PMID:9808643|Reaxys:93072|Wikipedia:Gamma-Tocopherol phenio.json (+)-gamma-tocopherol|(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol|(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol|(2R)-3,4-dihydro-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-2H-1-benzopyran-6-ol|(2R,4'R,8'R)-gamma-tocopherol|(R,R,R)-gamma-tocopherol|7,8-dimethyltocol|D-gamma-tocopherol|E308|RRR-gamma-tocopherol|gamma-Tocopherol|gamma-tocopherol http://purl.obolibrary.org/obo/CHEBI_18185 3_STAR
CHEBI:18186 biolink:ChemicalSubstance tyrosine An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. CAS:55520-40-6|CAS:556-03-6|Gmelin:27744|KEGG:C01536|KNApSAcK:C00001397|PMID:17190852|Reaxys:515881 phenio.json 2-Amino-3-(p-hydroxyphenyl)propionic acid|2-amino-3-(4-hydroxyphenyl)propanoic acid|3-(p-Hydroxyphenyl)alanine|Tyr|Tyrosin|Tyrosine|Y|tirosina|tyrosine http://purl.obolibrary.org/obo/CHEBI_18186 3_STAR
CHEBI:18187 biolink:ChemicalSubstance (E)-3,7,11,15-tetramethylhexadec-2-en-1-yl diphosphate HMDB:HMDB0011116 phenio.json (2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl trihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_18187 3_STAR
CHEBI:18188 biolink:ChemicalSubstance (S)-3-aminoisobutyrate KEGG:C03284|PDBeChem:BIB phenio.json (2S)-3-amino-2-methylpropanoate|(S)-3-Amino-2-methylpropanoate|(S)-3-Amino-isobutanoate|(S)-3-Amino-isobutyrate|(S)-beta-aminoisobutyrate|BETA-AMINO ISOBUTYRATE|L-3-Amino-isobutanoate|L-3-Amino-isobutyrate|L-3-aminoisobutyrate http://purl.obolibrary.org/obo/CHEBI_18188 3_STAR
CHEBI:18191 biolink:ChemicalSubstance thioredoxin disulfide A protein disulfide that is the oxidised form of a thioredoxin, in which two cysteine residues are joined by formation of a disulfide bridge. KEGG:C00343|PMID:23121505 phenio.json Oxidized thioredoxin|Thioredoxin disulfide|Thioredoxin sulfide http://purl.obolibrary.org/obo/CHEBI_18191 3_STAR
CHEBI:18193 biolink:ChemicalSubstance 10-deacetylbaccatin III CAS:32981-86-5|KEGG:C11700 phenio.json 10-Deacetylbaccatin III|10-deacetylbaccatin III|5beta,20-epoxy-1,7beta,10beta,13alpha-tetrahydroxy-9-oxotax-11-ene-2alpha,4alpha-diyl 4-acetate 2-benzoate http://purl.obolibrary.org/obo/CHEBI_18193 3_STAR
CHEBI:18195 biolink:ChemicalSubstance alpha,alpha'-trehalose 6,6'-bismycolate A trehalose mycolate compound consisting of two mycolate groups attached to the 6- and 6'-positions of alpha,alpha'-trehalose. KEGG:C04465|LIPID_MAPS_instance:LMFA01160002|PMID:16341241 phenio.json 6-O-[(11E)-3-hydroxy-2-tetradecyloctadec-11-enoyl]-alpha-D-glucopyranosyl 6-O-[(11E)-3-hydroxy-2-tetradecyloctadec-11-enoyl]-alpha-D-glucopyranoside|alpha,alpha'-Trehalose 6,6'-bismycolate|alpha,alpha'-trehalose 6,6'-bismycolate http://purl.obolibrary.org/obo/CHEBI_18195 3_STAR
CHEBI:18197 biolink:ChemicalSubstance ditrans,polycis-undecaprenyl diphosphate An undecaprenyl diphosphate in which the eight double bonds closest to the phosphate group have Z configuration, while the next two double bonds have E configuration. KEGG:C04574 phenio.json (2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl trihydrogen diphosphate|Bactoprenyl diphosphate|Undecaprenyl diphosphate|di-trans,poly-cis-Undecaprenyl diphosphate|di-trans,poly-cis-undecaprenyl diphosphate|ditrans,polycis-undecaprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_18197 3_STAR
CHEBI:18198 biolink:ChemicalSubstance 4-amino-4-deoxychorismic acid A dicarboxylic acid comprising chorismic acid having its 4-hydroxy group replaced by an amino group. KEGG:C11355|KNApSAcK:C00000730|Reaxys:4317064 phenio.json (3R,4R)-4-amino-3-[(1-carboxyethenyl)oxy]cyclohexa-1,5-diene-1-carboxylic acid|ADC http://purl.obolibrary.org/obo/CHEBI_18198 3_STAR
CHEBI:18199 biolink:ChemicalSubstance UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine UDP-glycopeptide having N-acetylmuramoyl as the glyco portion and L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine as the peptide portion (attached via an amide bond between the amino terminus and the muramoyl carboxy group). KEGG:C04882|Reaxys:10760092 phenio.json UDP-Mur2Ac-L-Ala-gamma-D-Glu-A2pm-D-Ala-D-Ala|UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine|UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanyl-D-alanine|UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine http://purl.obolibrary.org/obo/CHEBI_18199 3_STAR
CHEBI:18200 biolink:ChemicalSubstance isoscoparin A C-glycosyl compound that consists of chrysoeriol substituted by a 1,5-anhydro-D-glucitol moiety at position 6. CAS:20013-23-4|CBA:464459|KEGG:C05990|KNApSAcK:C00001058|LIPID_MAPS_instance:LMPK12110738|MetaCyc:ISOSCOPARIN|PMID:17655145|PMID:18215689|PMID:22529049|PMID:32900444|PMID:33164372|PMID:35318616|PMID:35638105|PMID:36072835|PMID:36845481|PMID:4622942|Reaxys:1444632 phenio.json (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol|6-beta-D-glucopyranosyl-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one|C-glucosyl-6 chrysoeriol|chrysoeriol 6-C-glucoside|isoorientin 3'-O-methyl ether|isoorientin 3'-methyl ether|isoscoparin|isoscoparine http://purl.obolibrary.org/obo/CHEBI_18200 3_STAR
CHEBI:18202 biolink:ChemicalSubstance L-iditol The L-enantiomer of iditol. CAS:488-45-9|HMDB:HMDB0011632|KEGG:C01507|MetaCyc:CPD-369|PMID:13766585|PMID:16346404|Reaxys:1721900 phenio.json (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol|L-Idit|L-Iditol|L-iditol http://purl.obolibrary.org/obo/CHEBI_18202 3_STAR
CHEBI:18203 biolink:ChemicalSubstance penicillin N Beilstein:56934|CAS:525-94-0|Drug_Central:3421|KEGG:C06564|KNApSAcK:C00000780 phenio.json (2S,5R,6R)-6-[(5R)-5-amino-5-carboxypentanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6beta-[(5R)-5-amino-5-carboxypentanamido]-2,2-dimethylpenam-3alpha-carboxylic acid|Penicillin N|adicillin|cephalosporin N http://purl.obolibrary.org/obo/CHEBI_18203 3_STAR
CHEBI:18204 biolink:ChemicalSubstance 16,17-didehydroprogesterone Beilstein:1017308|CAS:1096-38-4|KEGG:C03207 phenio.json 16,17-Didehydroprogesterone|16,17-didehydroprogesterone|16-Dehydroprogesterone|3,20-dioxopregna-4,16-diene|Delta(4,16)-pregnadiene-3,20-dione|pregna-4,16-diene-3,20-dione http://purl.obolibrary.org/obo/CHEBI_18204 3_STAR
CHEBI:18205 biolink:ChemicalSubstance alpha-D-mannose 1-phosphate A D-mannose 1-phosphate with an alpha-configuration at the anomeric position. CAS:15978-07-1|DrugBank:DB17678|KEGG:C00636|KNApSAcK:C00007389|MetaCyc:MANNOSE-1P|PDBeChem:M1P|PMID:16540464|PMID:9451026|Reaxys:87855 phenio.json 1-O-phosphono-alpha-D-mannopyranose|alpha-D-Mannose 1-phosphate|alpha-D-mannopyranose 1-(dihydrogen phosphate)|alpha-D-mannose 1-phosphate http://purl.obolibrary.org/obo/CHEBI_18205 3_STAR
CHEBI:18207 biolink:ChemicalSubstance N-acetyl-D-galactosamine 6-phosphate A galactosamine phosphate that is N-acetyl-D-galactosamine substituted at position 1 by a monophosphate group. KEGG:C06376|MetaCyc:N-ACETYL-D-GALACTOSAMINE-6-PHOSPHATE phenio.json 2-acetamido-2-deoxy-6-O-phosphono-D-galactose|N-Acetyl-D-galactosamine 6-phosphate http://purl.obolibrary.org/obo/CHEBI_18207 3_STAR
CHEBI:18208 biolink:ChemicalSubstance benzylpenicillin A penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group. CAS:61-33-6|DrugBank:DB01053|Drug_Central:2082|Gmelin:781913|HMDB:HMDB0015186|KEGG:C05551|KEGG:D02336|LINCS:LSM-3229|PDBeChem:PNN|PMID:10930630|PMID:11431418|PMID:11906332|PMID:12569987|PMID:12850488|PMID:1384868|PMID:16033609|PMID:1709917|PMID:2083978|PMID:24485692|PMID:24631718|PMID:25998949|PMID:27731424|PMID:29017833|PMID:29355985|PMID:6161899|PMID:7602118|PMID:7716788|Patent:US3024169|Reaxys:44740|Wikipedia:Benzylpenicillin phenio.json (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylic acid|6-(2-phenylacetamido)penicillanic acid|Benzylpenicillin|PCG|PENICILLIN G|PG|Penicillin G|bencilpenicilina|bensylpenicillin|benzyl benicillin|benzylpenicillin|benzylpenicilline|benzylpenicillinic acid|benzylpenicillinum|free penicillin II http://purl.obolibrary.org/obo/CHEBI_18208 3_STAR
CHEBI:18209 biolink:ChemicalSubstance CoM-S-S-CoB COMe:MOL000133|KEGG:C04832|PDBeChem:SHT phenio.json CoM-S-S-CoB|Coenzyme M 7-mercaptoheptanoylthreonine-phosphate heterodisulfide|Coenzyme M-HTP heterodisulfide|N-{7-[(2-Sulfoethyl)dithio]heptanoyl}-3-O-phospho-L-threonine|O-PHOSPHONO-N-{(2E)-7-[(2-SULFOETHYL)DITHIO]HEPT-2-ENOYL}-L-THREONINE|O-phosphono-N-{7-[(2-sulfoethyl)disulfanyl]heptanoyl}-L-threonine http://purl.obolibrary.org/obo/CHEBI_18209 3_STAR
CHEBI:18210 biolink:ChemicalSubstance hyponitrite(2-) Gmelin:130273|KEGG:C01818 phenio.json 2,3-diazy-1,4-dioxy-[4]catenate(2-)|Hyponitrite|[N2O2](2-)|[ON=NO](2-)|bis(oxidonitrate)(N--N)(2-)|diazenediolate|dioxido-1kappaO,2kappaO-dinitrate(N--N)(2-) http://purl.obolibrary.org/obo/CHEBI_18210 3_STAR
CHEBI:18211 biolink:ChemicalSubstance citrulline The parent compound of the citrulline class consisting of ornithine having a carbamoyl group at the N(5)-position. Beilstein:2328251|CAS:627-77-0|PMID:11094453|PMID:11113071|PMID:11696417|PMID:1378088|PMID:16082501|PMID:16708633|PMID:17005970|PMID:17513438|PMID:17558653|PMID:17693747|PMID:18437289|PMID:18440672|PMID:18989563|PMID:19144577|PMID:21129371|PMID:21482070|Reaxys:1725417|Wikipedia:Citrulline phenio.json 2-Amino-5-uredovaleric acid|2-amino-5-(carbamoylamino)pentanoic acid|Cit|Citrullin|Citrulline|DL-2-amino-5-ureidovaleric acid|N(5)-(aminocarbonyl)-DL-ornithine|N(5)-(aminocarbonyl)ornithine|N(5)-carbamoyl-DL-ornithine|N(5)-carbamoylornithine|citrulina|citrulline|dl-citrulline http://purl.obolibrary.org/obo/CHEBI_18211 3_STAR
CHEBI:18212 biolink:ChemicalSubstance selenite(2-) CAS:14124-67-5|Gmelin:100833|KEGG:C05684|UM-BBD_compID:c0741 phenio.json Selenit|Selenite|[SeO3](2-)|selenite|trioxidoselenate(2-)|trioxoselenate(2-)|trioxoselenate(IV) http://purl.obolibrary.org/obo/CHEBI_18212 3_STAR
CHEBI:18215 biolink:ChemicalSubstance syringetin A dimethoxyflavone that is myricetin in which the hydroxy groups at positions 3' and 5' have been replaced by methoxy groups. CAS:4423-37-4|KEGG:C11620|KNApSAcK:C00004767|LIPID_MAPS_instance:LMPK12112498|MetaCyc:SYRINGETIN|PMID:19784998|PMID:21745360|PMID:22980782|Reaxys:344330|Wikipedia:Syringetin phenio.json 3',5'-O-Dimethylmyricetin|3,5,7,4'-Tetrahydroxy-3',5'-dimethoxyflavone|3,5,7-trihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-chromen-4-one|Syringetin http://purl.obolibrary.org/obo/CHEBI_18215 3_STAR
CHEBI:182159 biolink:ChemicalSubstance Cannabidivarin CAS:24274-48-4|Chemspider:9776426|DrugBank:DB14050|KEGG:C20217 phenio.json 2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol http://purl.obolibrary.org/obo/CHEBI_182159 2_STAR
CHEBI:18216 biolink:ChemicalSubstance alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine A sialotetraosylceramide having beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc as the sialotetraosyl component. KEGG:C04911|KEGG:G00110|PMID:1371229|PMID:1379980|PMID:15546874|PMID:16341241|PMID:16758576|PMID:19726417|PMID:2457654|PMID:25748038|PMID:25867522|PMID:26050638|PMID:26405107|PMID:28188832|PMID:28416698|PMID:6204642|PMID:7693874|PMID:8857725|Wikipedia:GM1 phenio.json (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|(Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)1 (Cer)1|D-Galactosyl-1,3-beta-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosyl-N-acylsphingosine|D-Galactosyl-N-acetyl-D-galactosaminyl-(N-acetylneuraminyl)-D-galactosyl-D-glucosylceramide|GM1|GM1a|Gal(beta1-3)GalNAc(beta1-4)[Neu5Ac(alpha2-3)]Gal(beta1-4)Glc(beta1-1)Cer|Galbeta1-3GalNAcbeta1-4(Neu5Acalpha2-3)Galbeta1-4Glcbeta1-1Cer|alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')--N-acylsphing-4-enine|beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer|beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer|ganglioside GM1|monosialo GM1|monosialoganglioside-GM1 http://purl.obolibrary.org/obo/CHEBI_18216 3_STAR
CHEBI:18217 biolink:ChemicalSubstance alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc An amino trisaccharide consisting of two D-galactose residues, linked alpha(1->3), and an N-acetyl-D-glucosamine residue, linked beta(1->4), at the reducing end. Beilstein:5322979|GlyGen:G27798EJ|GlyTouCan:G27798EJ|KEGG:C04847|KEGG:G00304|PMID:10096519|PMID:10355731|PMID:11549456|PMID:12009948|PMID:12544864|PMID:16442513|PMID:17991151|PMID:19913595|PMID:27261450|PMID:28472163|PMID:9741457|Reaxys:5322979 phenio.json (Gal)2 (GlcNAc)1|Galalpha1-3Galbeta1-4GlcNAc|WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3/a4-b1_b3-c1|alpha-D-Galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine|alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-D-GlcNAc|alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc|alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose|alpha-D-galactosyl-1,3-beta-D-galactosyl-1,4-N-acetyl-D-glucosamine|alpha-gal|alpha-gal trisaccharide|alphaGal1-3betaGal1-4GlcNAc|gal-alpha-1,3-gal-beta-1,4-GlcNAc http://purl.obolibrary.org/obo/CHEBI_18217 3_STAR
CHEBI:18218 biolink:ChemicalSubstance 2'-hydroxybiphenyl-2-sulfinate Beilstein:8843408|UM-BBD_compID:c0060 phenio.json 2'-hydroxy-[1,1'-biphenyl]-2-sulfinate|2'-hydroxybiphenyl-2-sulfinate http://purl.obolibrary.org/obo/CHEBI_18218 3_STAR
CHEBI:18219 biolink:ChemicalSubstance ammonium hydroxide A solution of ammonia in water. AGR:IND44476209|AGR:IND44570233|CAS:1336-21-6|KEGG:C01358|KEGG:D04594|MetaCyc:NH4OH|PMID:21145665|PMID:21375888|PMID:21450410|PMID:21535717|PMID:21535721|PMID:21939976|PMID:22532436|PPDB:34|Wikipedia:Ammonium_hydroxide phenio.json Ammonium hydroxide|Ammoniumhydroxid|E527|NH4OH|agua de amoniaco|ammonia aqueous|ammonia solution|ammonia water|ammoniaque|ammonium hydroxide|hidroxido de amonio|hydroxyde d'ammonium http://purl.obolibrary.org/obo/CHEBI_18219 3_STAR
CHEBI:18220 biolink:ChemicalSubstance isoflavone A simplest member of the class of isoflavones that is 4H-chromen-4-one in which the hydrogen at position 3 is replaced by a phenyl group. CAS:574-12-9|Gmelin:1224833|KEGG:C00799|LIPID_MAPS_instance:LMPK12050000|Reaxys:157731 phenio.json 3-Phenylchromone|3-phenyl-4H-1-benzopyran-4-one|3-phenyl-4H-chromen-4-one|Isoflavon|Isoflavone http://purl.obolibrary.org/obo/CHEBI_18220 3_STAR
CHEBI:18222 biolink:ChemicalSubstance xylose An aldopentose, found in the embryos of most edible plants and used in medicine to test for malabsorption by administration in water to the patient. KEGG:C01394|Wikipedia:Xylose phenio.json DL-xylose|Xyl|Xylose|xylo-pentose|xylose http://purl.obolibrary.org/obo/CHEBI_18222 3_STAR
CHEBI:18224 biolink:ChemicalSubstance isoeugenol A phenylpropanoid that is an isomer of eugenol in which the allyl substituent is replaced by a prop-1-enyl group. CAS:97-54-1|Gmelin:2235523|KEGG:C10469|PMID:11033063|PMID:17573874|PMID:17698059|PMID:18416757|PMID:21969073|PMID:21989800|PMID:22613214|PMID:22671430|PMID:22686307|PMID:22827268|PMID:23047101|PMID:23161090|PMID:23281757|PMID:23286982|PMID:23306890|PMID:23391906|PMID:23627552|PMID:29079364|PMID:9084914|Reaxys:1909602|Wikipedia:Isoeugenol phenio.json 1-Hydroxy-2-methoxy-4-propen-1-ylbenzene|1-Hydroxy-2-methoxy-4-propenylbenzene|2-Methoxy-4-propenylphenol|2-methoxy-4-(prop-1-en-1-yl)phenol|3-Methoxy-4-hydroxypropenylbenzene|4-Hydroxy-3-methoxypropenylbenzene|4-Propenylguaiacol|Isoeugenol|Propenylguaiacol|isoeugenol http://purl.obolibrary.org/obo/CHEBI_18224 3_STAR
CHEBI:18225 biolink:ChemicalSubstance myo-inositol 1,3-bisphosphate CAS:103597-56-4|DrugBank:DB02942|KEGG:C04062|PDBeChem:ITP phenio.json 1D-myo-Inositol 1,3-bisphosphate|D-myo-Inositol 1,3-bisphosphate|Inositol 1,3-bisphosphate|PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER|myo-Inositol 1,3-bisphosphate|myo-inositol 1,3-bis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_18225 3_STAR
CHEBI:18226 biolink:ChemicalSubstance (R)-6-hydroxynicotine KEGG:C03043|UM-BBD_compID:c0470 phenio.json (R)-5-(1-methyl-pyrrolidin-2-yl)-1H-pyridin-2-one|(R)-5-(1-methyl-pyrrolidin-2-yl)-pyridin-2-ol|(R)-6-Hydroxynicotine|5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol|d-6-hydroxynicotine http://purl.obolibrary.org/obo/CHEBI_18226 3_STAR
CHEBI:18227 biolink:ChemicalSubstance sterigmatocystin An organic heteropentacyclic compound whose skeleton comprises a xanthene ring system ortho-fused to a dihydrofuranofuran moiety. The parent of the class of sterigmatocystins. CAS:10048-13-2|KEGG:C00961|KNApSAcK:C00000563|LIPID_MAPS_instance:LMPK10000001|PMID:11727790|PMID:12739707|PMID:15283159|PMID:15968996|PMID:17540384|PMID:19998385|PMID:20929267|PMID:21119680|PMID:21431817|PMID:21530923|PMID:21688557|Reaxys:1299458|Wikipedia:Sterigmatocystin phenio.json (3aR,12cS)-8-hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one|8-Hydroxy-6-methoxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one|Sterigmatocystin|sterigmatocystin http://purl.obolibrary.org/obo/CHEBI_18227 3_STAR
CHEBI:18228 biolink:ChemicalSubstance 1D-myo-inositol 1,3,4-trisphosphate KEGG:C01243|PDBeChem:I3S phenio.json (1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOSITOL|1D-myo-Inositol 1,3,4-trisphosphate|1D-myo-inositol 1,3,4-tris(dihydrogen phosphate)|1D-myo-inositol 1,3,4-trisphosphate|D-myo-Inositol 1,3,4-trisphosphate|Inositol 1,3,4-trisphosphate http://purl.obolibrary.org/obo/CHEBI_18228 3_STAR
CHEBI:18229 biolink:ChemicalSubstance deacetoxycephalosporin C CAS:26924-74-3|DrugBank:DB03938|KEGG:C06565|PDBeChem:P1C phenio.json (6R,7R)-7-{[(5R)-5-amino-5-carboxypentanoyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|DAOC|De(acetyloxy)cephalosporin C|Deacetoxycephalosporin C|Desacetoxycephalosphorin C http://purl.obolibrary.org/obo/CHEBI_18229 3_STAR
CHEBI:18230 biolink:ChemicalSubstance chlorophyll a Beilstein:1208847|Beilstein:4651978|CAS:479-61-8|COMe:MOL000003|DrugBank:DB02133|Gmelin:475109|KEGG:C05306|KNApSAcK:C00001528|PDBeChem:CLA phenio.json (SP-4-2)-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenyl (3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(2-)-kappaN(23),kappaN(24),kappaN(25),kappaN(26))-magnesium|CHLOROPHYLL A|Chlorophyll|Chlorophyll a|[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl (2(2)R,17S,18S)-7-ethyl-2(1),2(2),17,18-tetrahydro-2(2)-(methoxycarbonyl)-3,8,13,17-tetramethyl-2(1)-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoato(2-)]magnesium http://purl.obolibrary.org/obo/CHEBI_18230 3_STAR
CHEBI:18231 biolink:ChemicalSubstance arsenic acid An arsenic oxoacid comprising one oxo group and three hydroxy groups attached to a central arsenic atom. CAS:7778-39-4|Gmelin:2294|KEGG:C01478|PPDB:2913 phenio.json Arsenic acid|H3AsO4|Orthoarsenic acid|[AsO(OH)3]|arsenic acid|arsoric acid|tetraoxoarsenic acid|trihydrogen tetraoxoarsenate|trihydroxidooxidoarsenic http://purl.obolibrary.org/obo/CHEBI_18231 3_STAR
CHEBI:18232 biolink:ChemicalSubstance D-galactosamine 6-phosphate A galactosamine phosphate that is D-galactosamine substituted at position 1 by a monophosphate group. KEGG:C06377|MetaCyc:D-GALACTOSAMINE-6-PHOSPHATE|PMID:15133084|PMID:16630633|PMID:3102459|PMID:8054717|Reaxys:4143677 phenio.json 2-amino-2-deoxy-6-O-phosphono-D-galactopyranose|2-amino-2-deoxy-D-galactopyranose 6-(dihydrogen phosphate)|D-Galactosamine 6-phosphate http://purl.obolibrary.org/obo/CHEBI_18232 3_STAR
CHEBI:18233 biolink:ChemicalSubstance xyloglucan A glucan that consists of a backbone of alpha-(1->4)-linked glucose residues, most of which are substituted with (1->6)-linked xylose side-chains. KEGG:C00807|Wikipedia:Xyloglucan phenio.json Xyloglucan|xyloglucan http://purl.obolibrary.org/obo/CHEBI_18233 3_STAR
CHEBI:18234 biolink:ChemicalSubstance alpha,alpha'-trehalose 6-mycolate A trehalose monomycolate comprising alpha,alpha'-trehalose having the mycolate group attached to the 6-position. KEGG:C04218|LIPID_MAPS_instance:LMFA01160001 phenio.json 6-O-[(11E)-3-hydroxy-2-tetradecyloctadec-11-enoyl]-alpha-D-glucopyranosyl alpha-D-glucopyranoside|alpha,alpha'-Trehalose 6-mycolate|alpha,alpha'-trehalose 6-mycolate http://purl.obolibrary.org/obo/CHEBI_18234 3_STAR
CHEBI:18236 biolink:ChemicalSubstance 6-demethylsterigmatocystin CAS:30461-65-5|KEGG:C03683|LIPID_MAPS_instance:LMPK10000002 phenio.json (3aR,12cS)-6,8-dihydroxy-3a,12c-dihydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one|6-Demethylsterigmatocystin|6-demethylsterigmatocystin|demethylsterigmatocystin http://purl.obolibrary.org/obo/CHEBI_18236 3_STAR
CHEBI:18237 biolink:ChemicalSubstance glutamic acid An alpha-amino acid that is glutaric acid bearing a single amino substituent at position 2. CAS:617-65-2|Gmelin:101971|KEGG:C00302|KEGG:D04341|KNApSAcK:C00001358|KNApSAcK:C00019577|PMID:15739367|PMID:17190852|PMID:24616376|PMID:24984001|Reaxys:1723799|Wikipedia:Glutamic_acid phenio.json 2-Aminoglutaric acid|2-aminopentanedioic acid|DL-Glutamic acid|DL-Glutaminic acid|E|Glu|Glutamate|Glutamic acid|Glutaminic acid|Glutaminsaeure|glutamic acid http://purl.obolibrary.org/obo/CHEBI_18237 3_STAR
CHEBI:18240 biolink:ChemicalSubstance 4-hydroxy-L-proline The L-stereoisomer of 4-hydroxyproline. CAS:51-35-4|HMDB:HMDB0006055|KEGG:C01015|KNApSAcK:C00001370|Reaxys:81441|Wikipedia:4-hydroxy-L-proline phenio.json (2S)-4-hydroxypyrrolidine-2-carboxylic acid|4-Hydroxy-L-proline|4-hydroxy-L-proline|L-Hydroxyproline|cis-4-Hydroxy-L-Proline|hydroxy-L-proline http://purl.obolibrary.org/obo/CHEBI_18240 3_STAR
CHEBI:18241 biolink:ChemicalSubstance 2'-deoxyribonucleoside 5'-monophosphate A 2'-deoxyribonucleoside monophosphate compound with the phosphate group in the 5'-position. KEGG:C00676|KEGG:C03607 phenio.json 2'-Deoxynucleoside 5'-monophosphate|2'-Deoxynucleoside 5'-phosphate|2'-deoxyribonucleoside 5'-monophosphates|Deoxynucleoside 5'-phosphate|Deoxynucleoside phosphate http://purl.obolibrary.org/obo/CHEBI_18241 3_STAR
CHEBI:18242 biolink:ChemicalSubstance cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid KEGG:C06579|UM-BBD_compID:c0379 phenio.json (2S,3R)-2,3-dihydroxy-2,3-dihydro-p-cumate|cis-2,3-Dihydroxy-2,3-dihydro-p-cumate|cis-5,6-Dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylate|rel-(5R,6S)-5,6-dihydroxy-4-(propan-2-yl)cyclohexa-1,3-diene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_18242 3_STAR
CHEBI:182421 biolink:ChemicalSubstance 4-Aminobenzamide CAS:2835-68-9|Chemspider:68568 phenio.json 4-aminobenzamide http://purl.obolibrary.org/obo/CHEBI_182421 2_STAR
CHEBI:18243 biolink:ChemicalSubstance dopamine Catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group. CAS:51-61-6|DrugBank:DB00988|Drug_Central:947|HMDB:HMDB0000073|KEGG:C03758|KEGG:D07870|KNApSAcK:C00001408|LINCS:LSM-4630|MetaCyc:DOPAMINE|PMID:10629745|PMID:11149432|PMID:9422813|Reaxys:1072822|Wikipedia:Dopamine phenio.json 2-(3,4-Dihydroxyphenyl)ethylamine|2-(3,4-dihydroxyphenyl)ethylamine|3,4-Dihydroxyphenethylamine|3-Hydroxytyramine|4-(2-Aminoethyl)-1,2-benzenediol|4-(2-Aminoethyl)benzene-1,2-diol|4-(2-aminoethyl)-1,2-benzenediol|4-(2-aminoethyl)benzene-1,2-diol|4-(2-aminoethyl)catechol|4-(2-aminoethyl)pyrocatechol|Deoxyepinephrine|Dopamine|Hydroxytyramin|dopamina|dopamine|dopaminum http://purl.obolibrary.org/obo/CHEBI_18243 3_STAR
CHEBI:18244 biolink:ChemicalSubstance 1-alkyl-sn-glycero-3-phosphoethanolamine A glycerophosphoethanolamine that is sn-glycero-3-phosphoethanolamine carrying any alkyl substituent at position 1. KEGG:C04476 phenio.json 1-Alkyl-2-lyso-sn-glycero-3-phosphoethanolamine|1-alkyl-sn-glycero-3-phosphoethanolamines|1-alkylglycerophosphoethanolamine|1-alkylglycerophosphoethanolamines http://purl.obolibrary.org/obo/CHEBI_18244 3_STAR
CHEBI:18246 biolink:ChemicalSubstance (1->4)-beta-D-glucan A beta-D-glucan in which the glucose units are connected by (1->4) linkages. CAS:9004-34-6|HMDB:HMDB0006944|KEGG:C00760|KEGG:D00093|KEGG:G10481 phenio.json (1,4-beta-D-Glucosyl)n|(1,4-beta-D-Glucosyl)n+1|(1,4-beta-D-Glucosyl)n-1|(1,4-beta-D-glucosyl)n|(1->4)-beta-D-glucopyranan|1,4-beta-D-Glucan|Cellulose http://purl.obolibrary.org/obo/CHEBI_18246 3_STAR
CHEBI:18247 biolink:ChemicalSubstance 5-amino-6-(5-phospho-D-ribitylamino)uracil 5-O-Phosphono-D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 5,6-diaminopyrimidine-2,4(1H,3H)-dione. Beilstein:6445473|KEGG:C04454 phenio.json 1-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-ylamino)-1-deoxy-5-O-phosphono-D-ribitol|1-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-ylamino)-1-deoxy-D-ribitol 5-(dihydrogen phosphate)|1-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)amino]-1-deoxy-5-O-phosphono-D-ribitol|5-Amino-2,6-dioxy-4-(5'-phospho-D-ribitylamino)pyrimidine|5-Amino-2,6-dioxy-4-(5'-phosphoribitylamino)pyrimidine|5-Amino-6-(5'-phosphoribitylamino)uracil|5-Amino-6-(5-phospho-D-ribitylamino)uracil|5-Amino-6-(5-phosphoribitylamino)uracil http://purl.obolibrary.org/obo/CHEBI_18247 3_STAR
CHEBI:18248 biolink:ChemicalSubstance iron atom An iron group element atom that has atomic number 26. CAS:7439-89-6|DrugBank:DB01592|HMDB:HMDB0015531|KEGG:C00023|Reaxys:4122945|WebElements:Fe phenio.json 26Fe|Eisen|Fe|Iron|fer|ferrum|hierro|iron http://purl.obolibrary.org/obo/CHEBI_18248 3_STAR
CHEBI:182489 biolink:ChemicalSubstance 2,3-Bis(3-hydroxybenzyl)butane-1,4-diol CAS:76543-16-3|Chemspider:110294 phenio.json 2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol http://purl.obolibrary.org/obo/CHEBI_182489 2_STAR
CHEBI:18249 biolink:ChemicalSubstance ergosta-5,7,22,24(28)-tetraen-3beta-ol A 3beta-sterol having double bonds in the 5-, 7- and 22-positions and a methylene group at position 24. Beilstein:2397531|KEGG:C05440 phenio.json (22E)-24-methylcholesta-5,7,22,24(24(1))-tetraen-3beta-ol|(22E)-ergosta-5,7,22,24(28)-tetraen-3beta-ol|5,7,22,24(28)-Ergostatetraenol|Ergosta-5,7,22,24(24(1))-tetraen-3beta-ol|Ergosta-5,7,22,24(241)-tetraen-3beta-ol|Ergosta-5,7,22,24(28)-tetraen-3beta-ol|ergosta-5,7,22,24(28)-tetraen-3beta-ol http://purl.obolibrary.org/obo/CHEBI_18249 3_STAR
CHEBI:18250 biolink:ChemicalSubstance chondroitin 4'-sulfate A chondroitin sulfate in which the site of sulfation is carbon 4 of the N-acetylgalactosamine (GalNAc) sugar. CAS:24967-93-9|KEGG:C00634|KEGG:D00080|MetaCyc:Chondroitin-Sulfate-A|PMID:7538297|Reaxys:8611783 phenio.json Chondroitin 4'-sulfate|Chondroitin 4-sulfate|Chondroitin sulfate A|chondroitin 4-(hydrogen sulfate)|chondroitin A sulfate|chondroitin sulfate type A http://purl.obolibrary.org/obo/CHEBI_18250 3_STAR
CHEBI:18251 biolink:ChemicalSubstance UDP-D-galactofuranose A UDP-sugar having D-galactose as the sugar component. phenio.json uridine 5'-[3-(D-galactofuranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_18251 3_STAR
CHEBI:18252 biolink:ChemicalSubstance zymosterol Beilstein:2568614|CAS:128-33-6|KEGG:C05437|KNApSAcK:C00023749|LIPID_MAPS_instance:LMST01010066 phenio.json 5alpha-Cholesta-8,24-dien-3beta-ol|5alpha-cholesta-8,24-dien-3beta-ol|Zymosterol|delta8,24-Cholestadien-3beta-ol|zymosterol|zymostrol http://purl.obolibrary.org/obo/CHEBI_18252 3_STAR
CHEBI:18253 biolink:ChemicalSubstance 5-guanidino-2-oxopentanoate KEGG:C03771 phenio.json 2-oxo-5-guanidino-pentanoate|2-oxo-5-guanidinopentanoate|5-carbamimidamido-2-oxopentanoate|5-guanidino-2-oxopentanoate http://purl.obolibrary.org/obo/CHEBI_18253 3_STAR
CHEBI:182530 biolink:ChemicalSubstance 6-O-Methyl-N-deacetylisoipecoside aglycon KEGG:C21583 phenio.json methyl (2R,3R,4S)-3-ethenyl-2-hydroxy-4-[[(1S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxylate http://purl.obolibrary.org/obo/CHEBI_182530 2_STAR
CHEBI:18254 biolink:ChemicalSubstance ribonucleoside Any nucleoside where the sugar component is D-ribose. KEGG:C00911 phenio.json Ribonucleoside|a ribonucleoside|ribonucleosides http://purl.obolibrary.org/obo/CHEBI_18254 3_STAR
CHEBI:18256 biolink:ChemicalSubstance 4-formylbenzenesulfonic acid Beilstein:2718823|CAS:5363-54-2|KEGG:C06679 phenio.json 4-Formylbenzenesulfonate|4-Sulfobenzaldehyde|4-formylbenzenesulfonic acid|p-formylbenzenesulphonic acid http://purl.obolibrary.org/obo/CHEBI_18256 3_STAR
CHEBI:18257 biolink:ChemicalSubstance ornithine An alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. CAS:616-07-9|Gmelin:847696|KEGG:C01602|KNApSAcK:C00001384|PMID:15449570|PMID:17190852|PMID:22264337|Reaxys:1722296 phenio.json 2,5-Diaminopentanoic acid|2,5-Diaminovaleric acid|2,5-diaminopentanoic acid|DL-Ornithine|Orn|Ornithine|ornithine http://purl.obolibrary.org/obo/CHEBI_18257 3_STAR
CHEBI:18258 biolink:ChemicalSubstance 3,3',5-triiodo-L-thyronine An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism. CAS:6893-02-3|DrugBank:DB00279|Drug_Central:1585|HMDB:HMDB0000265|KEGG:C02465|KEGG:D08128|LINCS:LSM-3991|PDBeChem:T3|PMID:11738632|PMID:15206581|PMID:19339791|Reaxys:2710227|Wikipedia:Triiodothyronine phenio.json 3,3',5-triiodo-L-thyronine|3,5,3'-Triiodo-L-thyronine|3,5,3'-Triiodothyronine|3,5,3'TRIIODOTHYRONINE|4-(4-hydroxy-3-iodophenoxy)-3,5-diiodo-L-phenylalanine|L-3,3',5-triiodothyronine|L-3,5,3'-Triiodothyronine|L-T3|L-triiodothyronine|Liothyronine|O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine|T3|Tertroxin|Tresitope|Triiodothyronine|liothyronine|liothyroninum|liotironina http://purl.obolibrary.org/obo/CHEBI_18258 3_STAR
CHEBI:18259 biolink:ChemicalSubstance N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide A glycotetraosylceramide having N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose as the tetrasaccharide component. CAS:11034-93-8|KEGG:C03272|KEGG:G00094|PMID:1528196|PMID:15495792|PMID:15661151|PMID:1601891|PMID:1724444|PMID:21252262|PMID:21376640|PMID:2448252|PMID:2456994|PMID:3220436|PMID:4026313|PMID:7287743|PMID:7690848|PMID:7691279|PMID:8161226 phenio.json (Gal)2 (GalNAc)1 (Glc)1 (Cer)1|CTH/Gb4|GalNAc-1->3-Gal-1->4-Gal-1->4-Glc-Cer|GalNAcbeta1-3-Galalpha1-4Galbeta1-4Glcbeta1-1Cer|Gb4 Globoside|Gb4 Globotetraosyl ceramide|Gb4Cer|GbOse4Cer|Gbose4Cer|Globoside GL-4|Globoside I|Globotetraosyl ceramide|N-Acetyl-D-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide|N-Acetyl-galactosaminyl-1,3-D-galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide|N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide|N-acetyl-D-galactosaminyl-(1->3)-D-galactosyl-(1->4)-D-galactosyl-(1->4)-D-glucosylceramides|Slt-iiv receptor|VT2vp1 Receptor|a globoside Gb4Cer (d18:1(4E))|beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer|beta-D-GalpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer http://purl.obolibrary.org/obo/CHEBI_18259 3_STAR
CHEBI:18261 biolink:ChemicalSubstance N-carbamoyl-beta-alanine A beta-alanine derivative that is propionic acid bearing a ureido group at position 3. CAS:462-88-4|Gmelin:675230|HMDB:HMDB0000026|KEGG:C02642|MetaCyc:3-UREIDO-PROPIONATE|PDBeChem:URP|PMID:1536562|PMID:17190852|PMID:22770225|Reaxys:1705263|Wikipedia:3-Ureidopropionic_acid phenio.json 3-(carbamoylamino)propanoic acid|3-Ureidopropanoate|3-Ureidopropionate|3-Ureidopropionic acid|3-[(aminocarbonyl)amino]propanoic acid|3-ureidopropanoic acid|N-(AMINOCARBONYL)-BETA-ALANINE|N-(aminocarbonyl)-beta-alanine|N-Carbamoyl-beta-alanine|N-carbamoyl-beta-alanine|Ureidopropanoic acid|Ureidopropionic acid|beta-Ureidopropionic acid http://purl.obolibrary.org/obo/CHEBI_18261 3_STAR
CHEBI:18262 biolink:ChemicalSubstance dodecanoate A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3. Gmelin:333430|KEGG:C02679|MetaCyc:DODECANOATE|Reaxys:3588839 phenio.json 1-undecanecarboxylate|C12 fatty acid anion|CH3-[CH2]10-COO(-)|dodecanoate|dodecoate|dodecylate|duodecyclate|duodecylate|laurate|laurostearate|n-dodecanoate|undecane-1-carboxylate|vulvate http://purl.obolibrary.org/obo/CHEBI_18262 3_STAR
CHEBI:18263 biolink:ChemicalSubstance 1-(5-phospho-D-ribosyl)-ATP phenio.json 1-(5-phospho-D-ribofuranosyl)adenosine 5'-(tetrahydrogen triphosphate) http://purl.obolibrary.org/obo/CHEBI_18263 3_STAR
CHEBI:18265 biolink:ChemicalSubstance 2-aminopteridin-4-ol Beilstein:910525|CAS:2236-60-4|MetaCyc:2-AMINO-4-HYDROXYPTERIDINE phenio.json 2-amino-4-hydroxypteridine|2-aminopteridin-4-ol http://purl.obolibrary.org/obo/CHEBI_18265 3_STAR
CHEBI:18266 biolink:ChemicalSubstance 1D-4-O-methyl-myo-inositol A member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1R,2S,3S,4S,5S,6S-isomer). HMDB:HMDB0029915|KEGG:C06352|KNApSAcK:C00001166|PMID:16668324|PMID:22079289|PMID:24253552 phenio.json (1R,2S,3S,4S,5S,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol|1D-4-O-Methyl-myo-inositol|1D-4-O-methyl-myo-inositol|4-O-Methyl-myo-inositol|D-Ononitol|Ononitol http://purl.obolibrary.org/obo/CHEBI_18266 3_STAR
CHEBI:18267 biolink:ChemicalSubstance 5-oxo-4,5-dihydro-2-furylacetic acid The 4,5-dihydro- derivative of 5-oxo-2-furylacetic acid. KEGG:C03586|KNApSAcK:C00007489|MetaCyc:3-OXOADIPATE-ENOL-LACTONE|PMID:7684040|PMID:9495744|Reaxys:120576 phenio.json (5-oxo-4,5-dihydrofuran-2-yl)acetic acid|2-Oxo-2,3-dihydrofuran-5-acetate|3-Oxoadipate enol-lactone|3-oxoadipate enol-lactone|4,5-Dihydro-5-oxofuran-2-acetate|5-Oxo-4,5-dihydrofuran-2-acetate|5-oxo-4,5-dihydrofuran-2-acetate http://purl.obolibrary.org/obo/CHEBI_18267 3_STAR
CHEBI:18268 biolink:ChemicalSubstance D-glucurono-6,3-lactone CAS:32449-92-6|Drug_Central:3266|KEGG:C02670|KEGG:D01800 phenio.json D-Glucofuranuronic acid, gamma-lactone|D-Glucurone|D-Glucuronic acid lactone|D-Glucurono-3,6-lactone|D-Glucuronolactone|D-glucurono-3,6-lactone|D-glucurono-6,3-lactone|Glucofuranurono-6,3-lactone|Glucurolactone|Glucurone http://purl.obolibrary.org/obo/CHEBI_18268 3_STAR
CHEBI:18269 biolink:ChemicalSubstance (1->6)-alpha-D-glucan An alpha-D-glucan in which the glucose units are connected by (1->6) linkages. KEGG:C00372 phenio.json (1,6-alpha-D-Glucosyl)n|(1,6-alpha-D-glucosyl)n|1,6-alpha-D-Glucan http://purl.obolibrary.org/obo/CHEBI_18269 3_STAR
CHEBI:18271 biolink:ChemicalSubstance 2',3'-cyclic nucleotide KEGG:C01240 phenio.json 2',3'-Cyclic nucleotide|2',3'-cyclic nucleotides|Nucleoside 2',3'-cyclic phosphate http://purl.obolibrary.org/obo/CHEBI_18271 3_STAR
CHEBI:18272 biolink:ChemicalSubstance N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide A glycinamide ribonucleotide having a phosphate group at the 5-position and a formyl group on the glycine nitrogen. KEGG:C04376 phenio.json 5'-Phosphoribosyl-N-formylglycinamide|N-(N-formylglycyl)-5-O-phosphono-D-ribofuranosylamine|N-Formyl-GAR|N-Formylglycinamide ribonucleotide|N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide http://purl.obolibrary.org/obo/CHEBI_18272 3_STAR
CHEBI:18274 biolink:ChemicalSubstance 2'-deoxyribonucleoside KEGG:C02269|KEGG:C03216 phenio.json 2'-Deoxynucleoside|2'-deoxyribonucleosides|2-Deoxy-D-ribosyl-base|Deoxynucleoside|a 2'-deoxyribonucleoside http://purl.obolibrary.org/obo/CHEBI_18274 3_STAR
CHEBI:18276 biolink:ChemicalSubstance dihydrogen An elemental molecule consisting of two hydrogens joined by a single bond. CAS:1333-74-0|Gmelin:3|HMDB:HMDB0001362|KEGG:C00282|MetaCyc:HYDROGEN-MOLECULE|MolBase:748|PMID:15303745|PMID:16517646|PMID:18706888|PMID:19905000|PMID:19908827|PMID:20568549|PMID:24171421|Reaxys:3587189|Wikipedia:Hydrogen phenio.json E 949|E-949|E949|H2|Hydrogen|dihydrogen|molecular hydrogen http://purl.obolibrary.org/obo/CHEBI_18276 3_STAR
CHEBI:18277 biolink:ChemicalSubstance N-(5-phosphonato-beta-D-ribosyl)anthranilate An organophosphate oxoanion resulting from deprotonation of the phosphate and carboxy groups of N-(5-phospho-beta-D-ribosyl)anthranilic acid. KEGG:C04302 phenio.json N-(2-carboxylatophenyl)-5-O-phosphonato-beta-D-ribofuranosylamine|N-(2-carboxylatophenyl)-beta-D-ribofuranosylamine 5-phosphate|N-(5'-Phosphoribosyl)anthranilate|N-(5-Phospho-D-ribosyl)anthranilate|N-(5-Phospho-beta-D-ribosyl)anthranilate|N-(5-phospho-beta-D-ribosyl)anthranilate http://purl.obolibrary.org/obo/CHEBI_18277 3_STAR
CHEBI:18278 biolink:ChemicalSubstance N-acetyl-D-glucosaminyldiphosphodolichol KEGG:C04500|KEGG:G00001 phenio.json N-Acetyl-D-glucosaminyl-diphosphodolichol|N-Acetyl-D-glucosaminyldiphosphodolichol http://purl.obolibrary.org/obo/CHEBI_18278 3_STAR
CHEBI:18280 biolink:ChemicalSubstance phenylglyoxylic acid A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a phenyl group. CAS:611-73-4|DrugBank:DB02279|Gmelin:102031|HMDB:HMDB0001587|KEGG:C02137|MetaCyc:PHENYLGLYOXYLATE|PDBeChem:173|PMID:14598013|PMID:20931367|PMID:22750350|PMID:7066236|Reaxys:606718|Wikipedia:Phenylglyoxylic_acid phenio.json 2-Oxo-2-phenylacetate|2-oxo-2-phenylacetic acid|2-phenylethanoic acid|BENZOYL-FORMIC ACID|Benzoylformate|Benzoylformic acid|Phenylglyoxylate|Phenylglyoxylic acid|alpha-Oxo-benzeneacetic acid|alpha-ketophenylacetic acid|benzeneglyoxylic acid|oxo(phenyl)acetic acid http://purl.obolibrary.org/obo/CHEBI_18280 3_STAR
CHEBI:18281 biolink:ChemicalSubstance 2,5-didehydro-D-gluconic acid CAS:2595-33-7|KEGG:C02780 phenio.json 2,5-Diketogluconic acid|2,5-Dioxo-D-gluconic acid|2,5-diketo-D-gluconic acid|D-threo-2,5-Hexodiulosonic acid|D-threo-hexo-2,5-diulosonic acid http://purl.obolibrary.org/obo/CHEBI_18281 3_STAR
CHEBI:18282 biolink:ChemicalSubstance nucleobase That part of DNA or RNA that may be involved in pairing. KEGG:C00701|Wikipedia:Nucleobase phenio.json Base|nucleobases http://purl.obolibrary.org/obo/CHEBI_18282 3_STAR
CHEBI:18283 biolink:ChemicalSubstance alpha,alpha-trehalose 6-phosphate Beilstein:59815|CAS:4484-88-2|DrugBank:DB02430|KEGG:C00689|KEGG:G09795|KNApSAcK:C00007451 phenio.json Trehalose 6-phosphate|alpha,alpha'-Trehalose 6-phosphate|alpha-D-glucopyranosyl 6-O-phosphono-alpha-D-glucopyranoside|alpha-D-glucopyranosyl alpha-D-glucopyranoside 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_18283 3_STAR
CHEBI:18284 biolink:ChemicalSubstance thiamine(1+) triphosphate(1-) An ammonium betaine that is the conjugate base of thiamine(1+) triphosphate arising from the deptoronation of one of the hydroxy groups of the terminal phosphate group. Beilstein:3812917|CAS:3475-65-8|Chemspider:17927 phenio.json 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl trihydrogen triphosphate|5-(2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethoxy)-1,3,5-trihydroxytriphosphoxan-1-olate 1,3,5-trioxide|TTP|thiamin triphosphate|thiamine triphosphate http://purl.obolibrary.org/obo/CHEBI_18284 3_STAR
CHEBI:18285 biolink:ChemicalSubstance (S)-stylopine A berberine alkaloid isolated from the plants of the family papaveraceae. CAS:84-39-9|KEGG:C05175|KNApSAcK:C00026095|PMID:22029392|Reaxys:96606 phenio.json (12bS)-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[4',5':7,8]isoquino[3,2-a]isoquinoline|(S)-Stylopine|(S)-stylopine|6,7,12b,13e-Tetrahydro-4H-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizine|6,7,12b,13e-tetrahydro-4H-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizine|Stylopine|l-Tetrahydrocoptisine http://purl.obolibrary.org/obo/CHEBI_18285 3_STAR
CHEBI:18287 biolink:ChemicalSubstance L-fucose Any form of fucose having L configuration. CAS:2438-80-4|PMID:20877283 phenio.json (-)-L-fucose|(-)-fucose|6-deoxy-L-galactose|L-(-)-fucose|L-Fuc|L-fucose|L-galactomethylose http://purl.obolibrary.org/obo/CHEBI_18287 3_STAR
CHEBI:18288 biolink:ChemicalSubstance (S)-2-hydroxypropyl-CoM KEGG:C11498|UM-BBD_compID:c0785 phenio.json (S)-2-Hydroxypropyl-CoM|(S)-2-hydroxypropyl-CoM|2-(S)-Hydroxypropyl-CoM|2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid http://purl.obolibrary.org/obo/CHEBI_18288 3_STAR
CHEBI:18289 biolink:ChemicalSubstance quinolin-2(1H)-one A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2. CAS:59-31-4|KEGG:C06415|PDBeChem:OCH|PMID:23689721|Reaxys:2855 phenio.json 2(1H)-Quinolinone|2-quinolone|Carbostyril|QUINOLIN-2(1H)-ONE|Quinolin-2(1H)-one|alpha-Quinolone|o-Aminocinnamic acid lactam|quinolin-2(1H)-one http://purl.obolibrary.org/obo/CHEBI_18289 3_STAR
CHEBI:18291 biolink:ChemicalSubstance manganese atom CAS:7439-96-5|KEGG:C00034|WebElements:Mn phenio.json 25Mn|Mangan|Manganese|Mn|manganese|manganeso|manganum http://purl.obolibrary.org/obo/CHEBI_18291 3_STAR
CHEBI:18292 biolink:ChemicalSubstance jasmonic acid An oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring. BPDB:2440|CAS:6894-38-8|Chemspider:4444606|FooDB:FDB015493|HMDB:HMDB0032797|KEGG:C08491|KNApSAcK:C00000218|LIPID_MAPS_instance:LMFA02020001|PDBeChem:JAA|PMID:17470145|PMID:19704561|PMID:28223489|PMID:33516967|Reaxys:2692609|Wikipedia:Jasmonic_acid phenio.json (-)-Jasmonic acid|(-)-jasmonic acid|(1R,2R)-3-oxo-2-(2Z)-2-penten-ylcyclopentanacetic acid|(1R,2R)-3-oxo-2-(pent-2Z-enyl)-cyclopentaneacetic acid|2-{(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl}acetate|Jasmonate|Jasmonic acid|{(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid http://purl.obolibrary.org/obo/CHEBI_18292 3_STAR
CHEBI:18293 biolink:ChemicalSubstance 5-methoxypsoralen A 5-methoxyfurocoumarin that is psoralen substituted by a methoxy group at position 5. CAS:484-20-8|Drug_Central:3021|HMDB:HMDB0030637|KEGG:C01557|KEGG:D07521|KNApSAcK:C00000575|LINCS:LSM-20001|MetaCyc:5-METHOXYFURANOCOUMARIN|PMID:20433072|PMID:22611312|Reaxys:19560|Wikipedia:Bergapten phenio.json 4-methoxy-7H-furo[3,2-g][1]benzopyran-7-one|4-methoxy-7H-furo[3,2-g]chromen-7-one|5-Methoxyfuranocoumarin|5-Methoxypsoralen|5-methoxypsoralene|Bergapten|Bergaptene|Heraclin|Majudin|O-Methylbergaptol|bergapten http://purl.obolibrary.org/obo/CHEBI_18293 3_STAR
CHEBI:18295 biolink:ChemicalSubstance histamine A member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group. CAS:51-45-6|Drug_Central:1375|Gmelin:2968|HMDB:HMDB0000870|KEGG:C00388|KEGG:D08040|KNApSAcK:C00001414|MetaCyc:HISTAMINE|PDBeChem:HSM|PMID:16399866|PMID:19547708|PMID:19843401|PMID:22770225|PMID:24101735|Reaxys:2012|Wikipedia:Histamine phenio.json 1H-Imidazole-4-ethanamine|2-(1H-imidazol-4-yl)ethanamine|2-(4-Imidazolyl)ethylamine|HISTAMINE|Histamine http://purl.obolibrary.org/obo/CHEBI_18295 3_STAR
CHEBI:18296 biolink:ChemicalSubstance chondroitin 6'-sulfate A chondroitin sulfate in which the site of sulfation is carbon 6 of the N-acetylgalactosamine (GalNAc) sugar. CAS:25322-46-7|KEGG:C00635|MetaCyc:Chondroitin-Sulfate-C|PMID:7538297|PMID:8686873|Reaxys:11312765|Reaxys:9896922 phenio.json Chondroitin 6'-sulfate|Chondroitin 6-sulfate|Chondroitin sulfate C|chondroitin 6'-sulfate|chondroitin 6-(hydrogen sulfate) http://purl.obolibrary.org/obo/CHEBI_18296 3_STAR
CHEBI:182969 biolink:ChemicalSubstance 20alpha-dihydroprednisone A glucocorticoid that is prednisone in which the oxo group at position 20 is replaced by a hydroxy group. It is a metabolite of prednisone found in human urine. CAS:600-92-0|PMID:25800201 phenio.json (1R,3aS,3bS,9aR,9bS,11aS)-1-[(1R)-1,2-dihydroxyethyl]-1-hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,5,9a,9b,11,11a-decahydro-1H-cyclopenta[a]phenanthrene-7,10-dione|(20R)-17,20,21-trihydroxypregna-1,4-diene-3,11-dione|(20R)-hydroxyprednisone|20alpha-dihydro-prednisone http://purl.obolibrary.org/obo/CHEBI_182969 3_STAR
CHEBI:18297 biolink:ChemicalSubstance 1D-myo-inositol 1-phosphate An inositol having myo- configuration substituted at position 1 by a phosphate group. CAS:15421-51-9|DrugBank:DB03542|HMDB:HMDB0000213|KEGG:C01177|KNApSAcK:C00007483|MetaCyc:D-MYO-INOSITOL-1-MONOPHOSPHATE|PDBeChem:IPD|PMID:17439666|Reaxys:2056776 phenio.json (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl dihydrogen phosphate|1D-myo-Inositol 1-monophosphate|1D-myo-Inositol 1-phosphate|D-myo-Inositol 1-phosphate|I1P|Inositol 1-phosphate|Ins(1)P|Ins1P|Myoinositol 1-phosphate http://purl.obolibrary.org/obo/CHEBI_18297 3_STAR
CHEBI:182970 biolink:ChemicalSubstance 20beta-dihydroprednisone A glucocorticoid that is prednisone in which the oxo group at position 20 is replaced by a hydroxy group. It is a metabolite of prednisone found in human urine. CAS:600-93-1|PMID:25800201 phenio.json (1R,3aS,3bS,9aR,9bS,11aS)-1-[(1S)-1,2-dihydroxyethyl]-1-hydroxy-9a,11a-dimethyl-2,3,3a,3b,4,5,9a,9b,11,11a-decahydro-1H-cyclopenta[a]phenanthrene-7,10-dione|(20S)-17,20,21-trihydroxypregna-1,4-diene-3,11-dione|(20S)-hydroxyprednisone|20beta-dihydro-prednisone http://purl.obolibrary.org/obo/CHEBI_182970 3_STAR
CHEBI:18298 biolink:ChemicalSubstance 3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone KEGG:C02785 phenio.json 2-hydroxy-3-methyl-2-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydro-1,4-naphthoquinone|3-Hydroxy-2-methyl-3-phytyl-2,3-dihydronaphthoquinone|3-Hydroxy-vitamin K|3-hydroxy-2-methyl-3-phytyl-2,3-dihydro-1,4-naphthoquinone http://purl.obolibrary.org/obo/CHEBI_18298 3_STAR
CHEBI:18299 biolink:ChemicalSubstance 1-C-(indol-3-yl)glycerol 3-phosphate Beilstein:289763|CAS:4220-97-7|KEGG:C03506 phenio.json (3-Indolyl)-glycerol phosphate|1-(Indol-3-yl)glycerol 3-phosphate|2,3-dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphate|C1-(3-Indolyl)-glycerol 3-phosphate|IGPS|Indole-3-glycerophosphate|Indoleglycerol phosphate http://purl.obolibrary.org/obo/CHEBI_18299 3_STAR
CHEBI:18300 biolink:ChemicalSubstance maleic acid A butenedioic acid in which the double bond has cis- (Z)-configuration. Beilstein:1903639|CAS:110-16-7|DrugBank:DB04299|Gmelin:49854|HMDB:HMDB0000176|KEGG:C01384|KNApSAcK:C00007417|MetaCyc:MALEATE|PDBeChem:MAE|PMID:10952545|PMID:11386868|PMID:22770225|PMID:9591280|Reaxys:605762|Wikipedia:Maleic_acid phenio.json (2Z)-but-2-enedioic acid|(Z)-2-butenedioic acid|(Z)-butenedioic acid|H2male|MALEIC ACID|Maleic acid|cis-1,2-ethylenedicarboxylic acid|cis-Butenedioic acid|cis-but-2-enedioic acid|cis-ethene-1,2-dioic acid|toxilic acid http://purl.obolibrary.org/obo/CHEBI_18300 3_STAR
CHEBI:18301 biolink:ChemicalSubstance (2Z,4E)-4-hydroxymuconic semialdehyde KEGG:C06603|UM-BBD_compID:c0262 phenio.json (2Z,4E)-4-hydroxy-6-oxohexa-2,4-dienoic acid|cis,cis-4-hydroxymuconic semialdehyde http://purl.obolibrary.org/obo/CHEBI_18301 3_STAR
CHEBI:18302 biolink:ChemicalSubstance 1-(5-phospho-beta-D-ribosyl)-5-[(5-phospho-beta-D-ribosylamino)methylideneamino]imidazole-4-carboxamide A 1-(phosphoribosyl)imidazolecarboxamide that is the 5-(5-phospho-beta-D-ribosylamino)methylidene derivative of 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide. KEGG:C04896|PMID:8990314|Reaxys:874842 phenio.json 1-(5-O-phosphono-beta-D-ribofuranosyl)-5-[(5-O-phosphono-beta-D-ribofuranosylamino)methylideneamino]-1H-imidazole-4-carboxamide|1-(5-Phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino]imidazole-4-carboxamide|5'-ProFAR|5-(5-Phospho-D-ribosylaminoformimino)-1-(5-phosphoribosyl)-imidazole-4-carboxamide|N-(5'-Phospho-D-ribosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide|N-(5'-Phosphoribosylformimino)-5-amino-1-(5''-phosphoribosyl)-4-imidazolecarboxamide|Phosphoribosyl-formimino-AICAR-phosphate http://purl.obolibrary.org/obo/CHEBI_18302 3_STAR
CHEBI:18303 biolink:ChemicalSubstance phosphatidyl-L-serine A class of aminophospholipids in which a phosphatidyl group is esterified to the hydroxy group of serine. DrugBank:DB00144|HMDB:HMDB0014291|KEGG:C02737|MetaCyc:L-1-PHOSPHATIDYL-SERINE|PMID:10540156|PMID:15533308|PMID:19687511|PMID:23543734|PMID:3106116|PMID:3196084|PMID:4153523|PMID:8204602|PMID:8626656|PMID:9677350|Patent:EP2322184|Patent:HK1046237|Patent:US2011098249|Wikipedia:Phosphatidylserine phenio.json PS|Phosphatidylserine|Ptd-L-Ser|phosphatidyl-L-serines http://purl.obolibrary.org/obo/CHEBI_18303 3_STAR
CHEBI:18304 biolink:ChemicalSubstance deamido-NAD(+) DrugBank:DB04099|KEGG:C00857|PDBeChem:NXX phenio.json Deamido-NAD|Deamido-NAD+|Deamino-NAD+|adenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_18304 3_STAR
CHEBI:18305 biolink:ChemicalSubstance hydroquinone O-beta-D-glucopyranoside A monosaccharide derivative that is hydroquinone attached to a beta-D-glucopyranosyl residue at position 4 via a glycosidic linkage. CAS:497-76-7|Drug_Central:4267|HMDB:HMDB0029943|KEGG:C06186|KNApSAcK:C00002638|LINCS:LSM-5255|MetaCyc:HYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE|PMID:15287073|PMID:9518563|Reaxys:89673|Wikipedia:Arbutin phenio.json 4-hydroxyphenyl beta-D-glucopyranoside|Arbutin|Hydroquinone-O-beta-D-glucopyranoside|Ursin|Uvasol|hydroquinone O-beta-D-glucopyranoside|p-hydroxyphenyl beta-D-glucopyranoside|p-hydroxyphenyl beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_18305 3_STAR
CHEBI:18306 biolink:ChemicalSubstance thiamine(1+) carboxylic acid A monocarboxylic acid that is thiamine(1+) which carries an oxo group at position 2. Beilstein:3693053|CAS:22907-07-9|Chemspider:388883|KEGG:C02892|PMID:2988447|PMID:4987737|PMID:5344131|PMID:5472363 phenio.json 3-(2'-methyl-4'-amino-5'-pyrimidylmethyl)-4-methylthiazol-5-acetic acid|3-(2'-methyl-4'-amino-5'-pyrimidylmethyl)-4-methylthiazole-5-acetic acid|3-(2-methyl-4-amino-5-pyrimidylmethyl)-4-methylthiazole-5-acetic acid|3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(carboxymethyl)-4-methylthiazolium|3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(carboxymethyl)-4-methyl-1,3-thiazol-3-ium|thiamin acetic acid|thiamine acetic acid http://purl.obolibrary.org/obo/CHEBI_18306 3_STAR
CHEBI:18307 biolink:ChemicalSubstance UDP-D-galactose A UDP-sugar having D-galactose as the sugar component. CAS:2956-16-3|DrugBank:DB03501|HMDB:HMDB0000302|KEGG:C00052|PDBeChem:GDU|PMID:19699703|PMID:24041039|Reaxys:773447 phenio.json UDP-D-galactopyranose|UDP-D-galactose|UDPgalactose|Udp galactose|Udpgal|Uridine 5'-(trihydrogen diphosphate), P'-alpha-D-galactopyranosyl ester|Uridine diphosphate galactose|Uridine diphosphogalactose|Uridine pyrophosphogalactose|Uridinediphosphogalactose|uridine 5'-[3-(D-galactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_18307 3_STAR
CHEBI:18308 biolink:ChemicalSubstance acrylic acid A alpha,beta-unsaturated monocarboxylic acid that is ethene substituted by a carboxy group. CAS:79-10-7|DrugBank:DB02579|Gmelin:1817|HMDB:HMDB0031647|KEGG:C00511|LIPID_MAPS_instance:LMFA01030193|MetaCyc:MY148411|MetaCyc:MY149879|PDBeChem:AKR|PMID:24650085|PMID:24673501|Reaxys:635743|Wikipedia:Acrylic_acid phenio.json 2-Propenoic acid|ACRYLIC ACID|Acrylate|Acrylic acid|Propenoate|Propenoic acid|Vinylformic acid|acroleic acid|ethylenecarboxylic acid|prop-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_18308 3_STAR
CHEBI:183083 biolink:ChemicalSubstance indirubin A member of the class of indolones that is 1,3-dihydro-2H-indol-2-one substituted by a 3-oxo-1,3-dihydro-2H-indol-2-ylidene group at position 3. It is the active component of Dang Gui Long Hui Wan, which has been used in traditional Chinese medicine to treat inflammatory diseases and chronic myeloid leukemia. CAS:479-41-4|DrugBank:DB12379|HMDB:HMDB0240743|KNApSAcK:C00026982|LINCS:LSM-42899|PMID:21207415|PMID:22363408|PMID:31652913|PMID:31796845|PMID:32093032|PMID:32795328|PMID:32914538|PMID:32927253|PMID:32975633|PMID:33283739|PMID:33611057|PMID:34135755|PMID:34161865|PMID:34280616|PMID:34366843|PMID:34396002|Reaxys:88279|Wikipedia:Indirubin phenio.json 3-(1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,3-dihydro-2H-indol-2-one|3-(3-oxo-1,3-dihydro-2H-indol-2-ylidene)-1,3-dihydro-2H-indol-2-one|3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one|C.I. 73200|[Delta(2,3')-biindoline]-2',3-dione|couroupitine B|indigo red|indigopurpurin http://purl.obolibrary.org/obo/CHEBI_183083 3_STAR
CHEBI:183096 biolink:ChemicalSubstance (Z)-progoitrin(1-) PMID:11752388 phenio.json (2R)-2-hydroxy-3-butenyl glucosinolate|progoitrin http://purl.obolibrary.org/obo/CHEBI_183096 2_STAR
CHEBI:183098 biolink:ChemicalSubstance (Z)-glucosinolate(1-) MetaCyc:Glucosinolates phenio.json a (Z)-glucosinolate http://purl.obolibrary.org/obo/CHEBI_183098 2_STAR
CHEBI:18310 biolink:ChemicalSubstance alkane An acyclic branched or unbranched hydrocarbon having the general formula CnH2n+2, and therefore consisting entirely of hydrogen atoms and saturated carbon atoms. KEGG:C01371 phenio.json Alkan|Alkane|RH|alcane|alcanes|alcano|alcanos|alkane|alkanes|an alkane http://purl.obolibrary.org/obo/CHEBI_18310 3_STAR
CHEBI:183102 biolink:ChemicalSubstance alkenyl isothiocyanate phenio.json an alkenyl isothiocyanate http://purl.obolibrary.org/obo/CHEBI_183102 2_STAR
CHEBI:18311 biolink:ChemicalSubstance quinoline-4-carboxylic acid Beilstein:5224|CAS:486-74-8|Gmelin:408550|KEGG:C06414 phenio.json 4-Quinolinecarboxylic acid|Cinchonic acid|Quinoline-4-carboxylate|Quinoline-4-carboxylic acid|quinoline-4-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_18311 3_STAR
CHEBI:18312 biolink:ChemicalSubstance 4-(hydroxymethyl)benzenesulfonic acid Beilstein:3605659|Gmelin:561215|KEGG:C06678 phenio.json 4-(Hydroxymethyl)benzenesulfonate|4-(hydroxymethyl)benzenesulfonic acid|4-Sulfobenzyl alcohol http://purl.obolibrary.org/obo/CHEBI_18312 3_STAR
CHEBI:18313 biolink:ChemicalSubstance alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide A glycotriaosylceramide having alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucose as the trisaccharide component. CAS:71965-57-6|KEGG:C04737|KEGG:G00093|MetaCyc:D-GALACTOSYL-14-D-GALACTOSYL-14-D-|PMID:11437603|PMID:11525645|PMID:11946769|PMID:12227795|PMID:15113548|PMID:1528196|PMID:16120140|PMID:1724444|PMID:17258170|PMID:17674039|PMID:18176841|PMID:18810447|PMID:19655181|PMID:20424866|PMID:20623712|PMID:2120125|PMID:21252262|PMID:21376640|PMID:2448252|PMID:2456994|PMID:2500499|PMID:2960671|PMID:7691279|PMID:7841803 phenio.json Burkitt's lymphoma antigen, bla-CD77|CTH|D-Galactosyl-1,4-D-galactosyl-1,4-D-glucosylceramide|Gal-alpha1->4Gal-beta1->4Glc-beta1->1'Cer|Gal-alpha1->4LacCer|Galalpha1-4Galbeta1-4Glcbeta1-1'ceramide|Gb3|Gb3Cer|GbOSe3Cer|Globotriosylceramide|N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide|Trihexosylceramide|a globoside Gb3Cer (d18:1(4E))|alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer|alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer|alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide|ceramide trihexoside|globotriaosylceramide|globotrihexosylceramide http://purl.obolibrary.org/obo/CHEBI_18313 3_STAR
CHEBI:18314 biolink:ChemicalSubstance L-2-aminopentanoic acid A 2-aminopentanoic acid that has S-configuration. CAS:6600-40-4|KEGG:C01826|LIPID_MAPS_instance:LMFA01100041|MetaCyc:L-2-AMINOPENTANOIC-ACID|PDBeChem:NVA|PMID:24206068|PMID:30288668|PMID:30703532|PMID:31089055|PMID:31540372|PMID:31861122|PMID:32123601|PMID:32149110|PMID:33524560|PMID:35398371|PMID:35543360|PMID:783153|Reaxys:1721162|Wikipedia:Norvaline phenio.json (2S)-2-aminopentanoic acid|(S)-2-Aminopentanoic acid|L-2-Aminopentanoic acid|L-2-Aminovaleric acid|L-2-aminopentanoic acid|L-2-aminovaleric acid|L-Norvaline|L-norvaline http://purl.obolibrary.org/obo/CHEBI_18314 3_STAR
CHEBI:18315 biolink:ChemicalSubstance pyrroloquinoline quinone A pyrroloquinoline having oxo groups at the 4- and 5-positions and carboxy groups at the 2-, 7- and 9-positions. Beilstein:3596812|CAS:72909-34-3|COMe:MOL000073|Chemspider:997|DrugBank:DB03205|FooDB:FDB012848|Gmelin:56633|HMDB:HMDB0013636|KEGG:C00113|KNApSAcK:C00053736|PDBeChem:PQQ|PMID:32695625|PMID:34140030|PMID:34227919|RESID:AA0283|Wikipedia:Pyrroloquinoline_quinone phenio.json 2,4,6-tricarboxylic-pyrrolo[2,3-5,6]quinoline 8,9-quinone|2,7,9-tricarboxy-1H-pyrrolo(2,3-f)quinoline-4,5-dione|4,5-Dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylate|4,5-dihydro-4,5-dioxo-1H-pyrrolo[2,3-5,6]quinoline-2,7,9-tricarboxylic acid|4,5-dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid|Methoxatin|PQQ|PYRROLOQUINOLINE QUINONE|Pyrrolo-quinoline quinone|Pyrroloquinoline quinone|Pyrroloquinoline-quinone|coenzyme PQQ|methoxatin http://purl.obolibrary.org/obo/CHEBI_18315 3_STAR
CHEBI:18316 biolink:ChemicalSubstance 4-ethylamino-6-isopropylamino-1,3,5-triazin-2-ol A monohydroxy-1,3,5-triazine that is atrazine in which the chloro group has been replaced by a hydroxy group. CAS:2163-68-0|KEGG:C06552|MetaCyc:HYDROXYATRAZINE|PMID:11476505|PMID:20299293|PMID:22153354|PMID:24062064|Reaxys:612018|UM-BBD_compID:c0161 phenio.json 2-hydroxyatrazine|4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine|4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-ol|4-(ethylamino)-6-(isopropylamino)-s-triazin-2-ol|Hydroxyatrazine|hydroxyatrazine|hydroxydechloroatrazine http://purl.obolibrary.org/obo/CHEBI_18316 3_STAR
CHEBI:18317 biolink:ChemicalSubstance N-acetyl-LL-2,6-diaminopimelate(2-) A dicarboxylic acid dianion resulting from removal of a proton from both carboxy groups of N-acetyl-LL-2,6-diaminopimelic acid. KEGG:C04390|MetaCyc:CPD-1771 phenio.json (2S,6S)-2-acetamido-6-aminoheptanedioate|N(2)-acetyl-L,L-2,6-diaminoheptanedioate|N(6)-acetyl-L,L-2,6-diaminoheptanedioate|N(6)-acetyl-L-2,6-diaminoheptanedioate|N-acetyl-L,L-2,6-diaminoheptanedioate|N-acetyl-L,L-2,6-diaminopimelate|N-acetyl-L,L-DAP|N-acetyl-LL-2,6-diaminoheptanedioate|N-acetyl-LL-2,6-diaminopimelate|N-acetyl-LL-2,6-diaminopimelate dianion|N2-acetyl-LL-2,6-diaminoheptanedioate|N2-acetyl-LL-2,6-diaminopimelate|N6-acetyl-L,L-2,6-diaminopimelate|N6-acetyl-L-2,6-diaminoheptanedioate|N6-acetyl-L-2,6-diaminopimelate|N6-acetyl-LL-2,6-diaminoheptanedioate|N6-acetyl-LL-2,6-diaminopimelate http://purl.obolibrary.org/obo/CHEBI_18317 3_STAR
CHEBI:18318 biolink:ChemicalSubstance galactosylceramide sulfate A galactosylceramide substituted at O(3) of galactose by a sulfo group. KEGG:C06125|KEGG:G11122|LIPID_MAPS_instance:LMSP06020000|PMID:1378088|PMID:16341241|PMID:16758576|PMID:17855742|PMID:21167756|PMID:25748038|PMID:27242221|PMID:6095072|PMID:8104274|Wikipedia:Sulfatide phenio.json 3-O-sulfo-beta-D-galactosylceramide|Cerebroside 3-sulfate|Galactosylceramidesulfate|N-{(2S,3R,4E)-3-hydroxy-1-(3-O-sulfo-beta-D-galactopyranosyloxy)octadec-4-en-2-yl}alkanamide|Sulfatide|galactosylceramide sulfates|sulphatide http://purl.obolibrary.org/obo/CHEBI_18318 3_STAR
CHEBI:18319 biolink:ChemicalSubstance SAICAR A 1-(phosphoribosyl)imidazolecarboxamide resulting from the formal condesation of the darboxy group of 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid with the amino group of L-aspartic acid. CAS:3031-95-6|HMDB:HMDB0000797|KEGG:C04823|MetaCyc:P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE|PMID:23086999|PMID:24606918|Wikipedia:Phosphoribosylaminoimidazolesuccinocarboxamide phenio.json (2S)-2-[5-amino-1-(5-O-phosphono-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid|(S)-2-[5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido]succinate|1-(5'-Phosphoribosyl)-4-(N-succinocarboxamide)-5-aminoimidazole|1-(5'-Phosphoribosyl)-5-amino-4-(N-succinocarboxamide)-imidazole|5'-Phosphoribosyl-4-(N-succinocarboxamide)-5-aminoimidazole|N-{[5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazol-4-yl]carbonyl}-L-aspartic acid|SAICA riboside|SAICAR|Succino-AICAR|succinyl-5-aminoimidazole-4-carboxamide-1-ribose-5-phosphate|succinylaminoimidazolecarboxamide ribose-5'-phosphate http://purl.obolibrary.org/obo/CHEBI_18319 3_STAR
CHEBI:18320 biolink:ChemicalSubstance 1,4-dithiothreitol The threo-diastereomer of 1,4-dimercaptobutane-2,3-diol. Beilstein:8144556|CAS:3483-12-3|DrugBank:DB04447|KEGG:C00265|LINCS:LSM-36870|PMID:16901854|PMID:18022205|PMID:23673948|PMID:24124079|PMID:7592847 phenio.json (R*,R*)-1,4-dimercapto-2,3-butanediol|1,4-Dithiothreitol|1,4-dithiothreitol|Cleland's reagent|DL-threo-1,4-Dimercapto-2,3-butanediol|DTL|DTT|Dithiothreitol|Dithiotreitol|rac-Dithiothreitol|rel-(2R,3R)-1,4-disulfanylbutane-2,3-diol|threo-1,4-Dimercapto-2,3-butanediol http://purl.obolibrary.org/obo/CHEBI_18320 3_STAR
CHEBI:18321 biolink:ChemicalSubstance 1-(sn-glycero-3-phospho)-1D-myo-inositol A myo-inositol monophosphate derivative that is 1D-myo-inositol substituted at position 1 by an sn-glycero-3-phospho group. HMDB:HMDB0011649|KEGG:C01225|MetaCyc:CPD-541|Reaxys:3219210 phenio.json 1-(sn-glycero-3-Phospho)-1D-myo-inositol|1-(sn-glycero-3-phospho)-1D-myo-inositol|1D-myo-inositol 1-[(2R)-2,3-dihydroxypropyl hydrogen phosphate]|3-Phosphoglyceroinositol|Glyerophosphoinositol|GroPIns|sn-glycero-3-Phospho-1-inositol http://purl.obolibrary.org/obo/CHEBI_18321 3_STAR
CHEBI:18322 biolink:ChemicalSubstance 6-oxohexanoate A straight-chain fatty acid anion and the conjugate base of 6-oxohexanoic acid, formed by deprotonation of the carboxylic acid group. KEGG:C06102|MetaCyc:6-OXO-HEXANOATE|UM-BBD_compID:c0112 phenio.json 6-oxohexanoate|adipate semialdehyde http://purl.obolibrary.org/obo/CHEBI_18322 3_STAR
CHEBI:18323 biolink:ChemicalSubstance anserine A dipeptide comprising of beta-alanine and 3-methyl-L-histidine units. CAS:584-85-0|HMDB:HMDB0000194|KEGG:C01262|MetaCyc:CPD-401|PMID:18076890|PMID:22895378|PMID:24211545|Reaxys:89932 phenio.json Anserine|N(alpha)-(beta-alanyl)-N(pros)-methylhistidine|beta-Alanyl-N(pai)-methyl-L-histidine|beta-alanyl-3-methyl-L-histidine http://purl.obolibrary.org/obo/CHEBI_18323 3_STAR
CHEBI:183235 biolink:ChemicalSubstance 2''-O-crotonyl-ADP-D-ribose Major microspecies at pH 7.3 phenio.json 2''-O-(2E)-but-2-enoyl-ADP-D-ribose http://purl.obolibrary.org/obo/CHEBI_183235 2_STAR
CHEBI:18325 biolink:ChemicalSubstance 2-succinatobenzoate DrugBank:DB02251|KEGG:C02730 phenio.json 2-(3-carboxylatopropanoyl)benzoate|2-Succinylbenzoate|2-succinylbenzoate|Succinylbenzoate|o-Succinylbenzoate|o-succinatobenzoate http://purl.obolibrary.org/obo/CHEBI_18325 3_STAR
CHEBI:183255 biolink:ChemicalSubstance lysophosphatidylserine 18:1 A lysophosphatidylserine in which the remaining acyl group (position not specified) contains 18 carbons and 1 double bond. phenio.json LPS 18:1|LPS(18:1)|Lyso-PS(18:1)|lysophosphatidylserine(18:1) http://purl.obolibrary.org/obo/CHEBI_183255 2_STAR
CHEBI:18327 biolink:ChemicalSubstance N-formimidoyl-L-glutamate(2-) A dicarboxylic acid anion resuting from removal of a proton from both carboxy groups of N-formimidoyl-L-glutamic acid. KEGG:C00439 phenio.json (2S)-2-(methanimidamido)pentanedioate|N-methanimidoyl-L-glutamate http://purl.obolibrary.org/obo/CHEBI_18327 3_STAR
CHEBI:18328 biolink:ChemicalSubstance 13-hydroxylupanine CAS:15358-48-2|KEGG:C02621|KNApSAcK:C00002221 phenio.json (+)-13alpha-Hydroxylupanine|(2S,7R,7aR,14R,14aR)-2-hydroxydodecahydro-2H,11H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocin-11-one|13-Hydroxylupanine|13-Hydroxylupinine|13alpha-hydroxyspartein-2-one http://purl.obolibrary.org/obo/CHEBI_18328 3_STAR
CHEBI:18329 biolink:ChemicalSubstance 5alpha-androstane-3beta,17beta-diol An androstane-3,17-diol that is 5alpha-androstane substituted by beta-hydroxy groups at positions 3 and 17. It is a metabolite of dihydrotestosterone. CAS:571-20-0|DrugBank:DB03882|HMDB:HMDB0000493|KEGG:C12525|LIPID_MAPS_instance:LMST02020053|PDBeChem:AOM|PMID:15958594|Reaxys:2559488 phenio.json (3beta,5alpha,17beta)-androstane-3,17-diol|3beta,17beta-dihydroxy-5alpha-androstane|5-ALPHA-ANDROSTANE-3-BETA,17BETA-DIOL|5alpha-Androstan-3beta,17beta-diol|5alpha-androstane-3beta,17beta-diol http://purl.obolibrary.org/obo/CHEBI_18329 3_STAR
CHEBI:18330 biolink:ChemicalSubstance isovitexin A C-glycosyl compound that consists of apigenin substituted by a 1,5-anhydro-D-glucitol moiety at position 6. CAS:29702-25-8|CAS:38953-85-4|KEGG:C01714|KNApSAcK:C00001059|LIPID_MAPS_instance:LMPK12110338|MetaCyc:ISOVITEXIN|PMID:16142640|PMID:22475010|PMID:22683902|PMID:23057589|Reaxys:66651|Wikipedia:Isovitexin phenio.json (1S)-1,5-anhydro-1-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-6-yl]-D-glucitol|6-C-Glucosylapigenin|6-Glucosylapigenin|Apigenin 6-C-glucoside|Apigenin-6-C-glucoside|Isovitexin|Saponaretin|beta-D-isovitexin http://purl.obolibrary.org/obo/CHEBI_18330 3_STAR
CHEBI:18331 biolink:ChemicalSubstance keratan 6'-sulfate A keratan sulfate with random sulfation at the 6'-position. phenio.json http://purl.obolibrary.org/obo/CHEBI_18331 3_STAR
CHEBI:18332 biolink:ChemicalSubstance L-thyroxine The L-enantiomer of thyroxine. Beilstein:2228515|Beilstein:7002831|CAS:51-48-9|DrugBank:DB00451|Drug_Central:2646|KEGG:C01829|KEGG:D08125|LINCS:LSM-5447|PDBeChem:T44|PMID:15206581|PMID:18996189|PMID:20483419|PMID:2062236|PMID:21035598|PMID:24216002|PMID:24548294|PMID:24610609|VSDB:3004|Wikipedia:Levothyroxine phenio.json 3,3',5,5'-tetraiodo-L-thyronine|3,5,3',5'-TETRAIODO-L-THYRONINE|3,5,3',5'-tetraiodo-L-thyronine|4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine|L-T4|L-Thyroxine|L-thyroxine|LT4|Levothyroxin|O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine|T4|levothyroxine http://purl.obolibrary.org/obo/CHEBI_18332 3_STAR
CHEBI:18333 biolink:ChemicalSubstance D-arabinitol The D-enantiomer of arabinitol. CAS:488-82-4|HMDB:HMDB0000568|KEGG:C01904|KNApSAcK:C00001156|PMID:10921974|PMID:23261427|PMID:8204415|Reaxys:1720520|Wikipedia:D-arabinitol phenio.json D-Arabinitol|D-Arabinol|D-Arabitol|D-Lyxitol|D-arabinitol http://purl.obolibrary.org/obo/CHEBI_18333 3_STAR
CHEBI:18334 biolink:ChemicalSubstance adenosine 5'-(pentahydrogen tetraphosphate) A purine ribonucleoside 5'-tetraphosphate having adenine as the nucleobase. KEGG:C03483|PDBeChem:AQP phenio.json Adenosine 5'-tetraphosphate|Adenosine tetraphosphate|adenosine 5'-(pentahydrogen tetraphosphate) http://purl.obolibrary.org/obo/CHEBI_18334 3_STAR
CHEBI:18335 biolink:ChemicalSubstance pyridoxamine 5'-phosphate A vitamin B6 phosphate that is the phosphoric ester derivative of pyridoxamine. CAS:529-96-4|COMe:MOL000123|HMDB:HMDB0001555|KEGG:C00647|KNApSAcK:C00007506|PDBeChem:PMP|PMID:1783639|PMID:18491919|PMID:22445054|PMID:2580028|Reaxys:233653 phenio.json 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE|Pyridoxamine 5'-phosphate|Pyridoxamine 5'-phosphoric acid|Pyridoxamine 5-phosphate|Pyridoxamine 5-phosphoric acid|Pyridoxamine phosphate|[4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate|pyridoxamine 5'-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_18335 3_STAR
CHEBI:18336 biolink:ChemicalSubstance 4-(phosphonooxy)-L-threonine KEGG:C06055|PDBeChem:4TP phenio.json 4-(Phosphonooxy)-L-threonine|4-(Phosphonooxy)-threonine|4-(phosphonooxy)-L-threonine|O-Phospho-4-hydroxy-L-threonine|O-phospho-4-hydroxy-L-threonine http://purl.obolibrary.org/obo/CHEBI_18336 3_STAR
CHEBI:18337 biolink:ChemicalSubstance 5-amino-6-(5-phospho-beta-D-ribosylamino)uracil An N-glycosyl compound that consists of 5,6-diaminouracil in which one of the hydrogens on the 6-amino function is substituted by a 5-phospho-beta-D-ribosyl residue. KEGG:C01268|KNApSAcK:C00019665 phenio.json 5-Amino-6-(5'-phosphoribosylamino)uracil|5-Amino-6-(5-phosphoribosylamino)uracil|5-Amino-6-(ribosylamino)-2,4-(1H,3H)-pyrimidinedione 5'-phosphate|N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine|N-(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-beta-D-ribofuranosylamine 5-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_18337 3_STAR
CHEBI:18340 biolink:ChemicalSubstance cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid CAS:100459-00-5|KEGG:C06321|UM-BBD_compID:c0280 phenio.json 1,2t-dihydroxycyclohexa-3,5-diene-1r-carboxylic acid|1,6-Dihydroxy-cis-2,4-cyclohexadiene-1-carboxylic acid|1,t-2-dihydroxycyclohexa-3,5-diene-r-1-carboxylic acid|rel-(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_18340 3_STAR
CHEBI:18341 biolink:ChemicalSubstance diacetylchitobiosyldiphosphodolichol A chitobiosyldiphosphodolichol compound having two acetyl substituents in unspecified positions. phenio.json diacetylchitobiosyldiphosphodolichols http://purl.obolibrary.org/obo/CHEBI_18341 3_STAR
CHEBI:183424 biolink:ChemicalSubstance O-Arachidonoyl ethanolamine CAS:287937-12-6|Chemspider:4650158|HMDB:HMDB0013655|LIPID_MAPS_instance:LMFA00000014 phenio.json 2-aminoethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate http://purl.obolibrary.org/obo/CHEBI_183424 2_STAR
CHEBI:18344 biolink:ChemicalSubstance kynurenic acid A quinolinemonocarboxylic acid that is quinoline-2-carboxylic acid substituted by a hydroxy group at C-4. CAS:492-27-3|HMDB:HMDB0000715|KEGG:C01717|KNApSAcK:C00026453|KNApSAcK:C00026494|LINCS:LSM-24962|MetaCyc:KYNURENATE|PDBeChem:KYA|PMID:10088651|PMID:10867830|PMID:10881031|PMID:11051465|PMID:11129102|PMID:11191832|PMID:11244357|PMID:11334243|PMID:11452979|PMID:11521749|PMID:11982504|PMID:12503245|PMID:12757473|PMID:12926536|PMID:14724046|PMID:14770276|PMID:15206728|PMID:15364012|PMID:15517427|PMID:15605380|PMID:15961072|PMID:16088227|PMID:16220290|PMID:16388784|PMID:16416446|PMID:16457470|PMID:16603336|PMID:16644124|PMID:16845213|PMID:16888405|PMID:16920787|PMID:17023091|PMID:17364732|PMID:17573079|PMID:17959203|PMID:18231708|PMID:18235993|PMID:18346850|PMID:18462830|PMID:18836681|PMID:18950711|PMID:19187269|PMID:19523966|PMID:19616570|PMID:19815960|PMID:19816853|PMID:22065206|PMID:22108572|PMID:22224417|PMID:22732505|PMID:22770225|PMID:22814028|PMID:22915278|PMID:23030614|PMID:7882580|PMID:8579218|PMID:8637415|PMID:9078543|Reaxys:147451|Wikipedia:Kynurenic_acid phenio.json 4-Hydroxy-2-chinolincarbonsaeure|4-Hydroxy-2-quinolinecarboxylic acid|4-hydroxy-2-quinolinecarboxylic acid|4-hydroxyquinaldic acid|4-hydroxyquinaldinic acid|4-hydroxyquinoline-2-carboxylic acid|Kynurenate|Kynurenic acid|Kynurensaeure http://purl.obolibrary.org/obo/CHEBI_18344 3_STAR
CHEBI:18346 biolink:ChemicalSubstance vanillin A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. Beilstein:472792|CAS:121-33-5|FooDB:FDB000838|Gmelin:3596|HMDB:HMDB0012308|KEGG:C00755|KEGG:D00091|KNApSAcK:C00002683|KNApSAcK:C00029531|MetaCyc:VANILLIN|PDBeChem:V55|PMCID:PMC7790484|PMCID:PMC8235570|PMID:18479250|PMID:19238838|PMID:19812218|PMID:21417387|PMID:21542597|PMID:21846089|PMID:22308371|PMID:29950589|PMID:31661600|PMID:33477040|PMID:33938405|PMID:34013088|PMID:34035660|UM-BBD_compID:c0193|Wikipedia:Vanillin phenio.json 3-methoxy-4-hydroxybenzaldehyde|4-Hydroxy-3-methoxy-benzaldehyde|4-Hydroxy-3-methoxybenzaldehyde|4-formyl-2-methoxyphenol|4-hydroxy-3-methoxybenzaldehyde|4-hydroxy-m-anisaldehyde|Vanillaldehyde|Vanillin|methylprotocatechuic aldehyde|p-hydroxy-m-methoxybenzaldehyde|p-vanillin|vaniline|vanillaldehyde|vanillic aldehyde|vanillin http://purl.obolibrary.org/obo/CHEBI_18346 3_STAR
CHEBI:18347 biolink:ChemicalSubstance L-norleucine A non-proteinogenic L-alpha-amino acid comprising hexanoic acid carrying an amino group at C-2. It does not occur naturally. Beilstein:1721750|Beilstein:5241165|CAS:327-57-1|DrugBank:DB04419|Gmelin:261032|HMDB:HMDB0001645|KEGG:C01933|LIPID_MAPS_instance:LMFA01100042|MetaCyc:L-2-AMINOHEXANOATE|PDBeChem:NLE|Reaxys:1721750|Wikipedia:Norleucine phenio.json (2S)-2-aminohexanoic acid|(S)-2-Aminohexanoic acid|2-Aminocaproic acid|2-Aminohexanoic acid|Caprine|Glycoleucine|L(+)-norleucine|L-(+)-Norleucine|L-(+)-norleucine|L-2-Aminohexanoate|L-2-Aminohexanoic acid|L-Aminohexanoate|L-Aminohexanoic acid|L-Norleucine|L-norleucine|NORLEUCINE|Nle|alpha-aminocaproic acid|norleucine http://purl.obolibrary.org/obo/CHEBI_18347 3_STAR
CHEBI:18348 biolink:ChemicalSubstance 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate A phosphatidylinositol bisphosphate in which the two phosphate groups are at C-4 and C-5 of the inositol moiety which has the 1D-myo configuration. KEGG:C04637|PMID:6095072 phenio.json 1,2-Diacyl-sn-glycero-3-phospho-(1'-myo-inositol-4',5'-bisphosphate)|1-O-(3-sn-phosphatidyl)-1D-myo-inositol 4,5-bis(dihydrogen phosphate)|1-Phosphatidyl-1D-myo-inositol 4,5-bisphosphate|1-Phosphatidyl-D-myo-inositol 4,5-bisphosphate|PIP2|PIPP|Phosphatidyl-myo-inositol 4,5-bisphosphate|Phosphatidylinositol-4,5-bisphosphate|PtsIns(4,5)P2|PtsIns-4,5-P2 http://purl.obolibrary.org/obo/CHEBI_18348 3_STAR
CHEBI:18349 biolink:ChemicalSubstance N(1)-(5-phospho-D-ribosyl)glycinamide DrugBank:DB02236|KEGG:C03838 phenio.json 5'-Phosphoribosylglycinamide|5'-Phosphoribosylglycineamide|GAR|Glycinamide ribonucleotide|Glycineamide ribonucleotide|Glycineamideribotide|N-glycyl-5-O-phosphono-D-ribofuranosylamine|N-glycyl-D-ribofuranosylamine 5-(dihydrogen phosphate)|N1-(5-Phospho-D-ribosyl)glycinamide http://purl.obolibrary.org/obo/CHEBI_18349 3_STAR
CHEBI:18350 biolink:ChemicalSubstance isoquinolin-1(2H)-one CAS:491-30-5|KEGG:C06324 phenio.json 1(2H)-Isoquinolinone|1(2H)-isoquinolinone|Isoquinolin-1(2H)-one|isoquinolin-1(2H)-one http://purl.obolibrary.org/obo/CHEBI_18350 3_STAR
CHEBI:183508 biolink:ChemicalSubstance methyl-branched fatty acyl-CoA(4-) A branched-chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any methyl-branched-chain fatty acyl-CoA; major species at pH 7.3. phenio.json methyl-FA-CoA(4-)|methyl-FA-coenzyme A(4-)|methyl-branched fatty acyl-coenzyme A(4-)|methyl-fatty acyl-CoA(4-)|methyl-substituted fatty acyl-CoA(4-)|methyl-substituted fatty acyl-coenzyme A(4-)|methylacyl-CoAs(4-) http://purl.obolibrary.org/obo/CHEBI_183508 3_STAR
CHEBI:183509 biolink:ChemicalSubstance branched-chain fatty acyl-CoA(4-) A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any branched-chain fatty acyl-CoA; major species at pH 7.3. phenio.json branched-chain FA-CoA(4-)|branched-chain FA-coenzyme A(4-)|branched-chain fatty acyl-CoAs(4-)|branched-chain fatty acyl-coenzyme A(4-)|branched-chain fatty acyl-coenzyme As(4-) http://purl.obolibrary.org/obo/CHEBI_183509 3_STAR
CHEBI:18351 biolink:ChemicalSubstance 4-hydroxyhexan-3-one A hexanone that is hexan-3-one substituted by a hydroxy group at position 4. CAS:4984-85-4|KEGG:C02948|LIPID_MAPS_instance:LMFA12000029|MetaCyc:CPD-1132|PMID:17497614|PMID:19224568|Reaxys:1560286 phenio.json 4-Hydroxy-3-hexanone|4-Hydroxyhexan-3-one|4-hydroxyhexan-3-one|Propioin http://purl.obolibrary.org/obo/CHEBI_18351 3_STAR
CHEBI:183510 biolink:ChemicalSubstance 2-methylacyl-CoA(4-) A methyl-branched fatty acyl-CoA(4-) arising from the deprotonation of the phosphate and diphosphate OH groups of 2-methylacyl-CoA; major microspecies at pH 7.3. phenio.json 2-methylacyl-CoAs(4-)|2-methylacyl-coenzyme A(4-) http://purl.obolibrary.org/obo/CHEBI_183510 3_STAR
CHEBI:183511 biolink:ChemicalSubstance 2-methylacyl-CoA A methyl-branched fatty acyl-CoA in which the unspecified acyl group carries a methyl substituent at position 2. phenio.json 2-methylacyl-CoAs|2-methylacyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_183511 3_STAR
CHEBI:18353 biolink:ChemicalSubstance vanillyl alcohol A monomethoxybenzene that is 2-methoxyphenol substituted by a hydroxymethyl group at position 4. CAS:498-00-0|HMDB:HMDB0032012|KEGG:C06317|PMID:21705974|PMID:23615732|PMID:24508370|PMID:24725964|Reaxys:1910044|UM-BBD_compID:c0588|Wikipedia:Vanillyl_alcohol phenio.json 4-(hydroxymethyl)-2-methoxyphenol|4-Hydroxy-3-methoxy-benzenemethanol|4-Hydroxy-3-methoxybenzenemethanol|4-Hydroxy-3-methoxybenzyl alcohol|4-hydroxy-3-methoxy-benzenemethanol|4-hydroxy-3-methoxybenzenemethanol|4-hydroxy-3-methoxybenzyl alcohol|Vanillyl alcohol http://purl.obolibrary.org/obo/CHEBI_18353 3_STAR
CHEBI:18354 biolink:ChemicalSubstance (R)-2-hydroxypropyl-CoM KEGG:C11496|UM-BBD_compID:c0784 phenio.json (R)-2-Hydroxypropyl-CoM|(R)-2-hydroxypropyl-CoM|2-(R)-Hydroxypropyl-CoM|2-{[(2R)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid http://purl.obolibrary.org/obo/CHEBI_18354 3_STAR
CHEBI:18355 biolink:ChemicalSubstance 2-hydroxypenta-2,4-dienoic acid A 5-carbon, bis-unsaturated, alpha-hydroxy fatty acid metabolite of the proteobacterium substrate 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (HOPDA). PMID:16964968 phenio.json 2-hydroxy-2,4-pentadienoic acid|2-hydroxypenta-2,4-dienoic acid|HPD http://purl.obolibrary.org/obo/CHEBI_18355 3_STAR
CHEBI:183569 biolink:ChemicalSubstance Lucidone Chemspider:9428886|LIPID_MAPS_instance:LMPK12120439 phenio.json 3-hydroxy-4-methoxy-2-[(E)-3-phenylprop-2-enoyl]cyclopenta-2,4-dien-1-one http://purl.obolibrary.org/obo/CHEBI_183569 2_STAR
CHEBI:18357 biolink:ChemicalSubstance (R)-noradrenaline The R-enantiomer of noradrenaline. Beilstein:4231961|CAS:51-41-2|DrugBank:DB00368|Drug_Central:1960|HMDB:HMDB0000216|KEGG:C00547|KEGG:D00076|KNApSAcK:C00001424|PDBeChem:LNR|Reaxys:2804840|Wikipedia:Norepinephrine phenio.json (-)-arterenol|(-)-noradrenaline|(-)-norepinephrine|(R)-(-)-norepinephrine|(R)-4-(2-amino-1-hydroxyethyl)-1,2-benzenediol|(R)-norepinephrine|4-[(1R)-2-Amino-1-hydroxyethyl]-1,2-benzenediol|4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol|Arterenol|L-NOREPINEPHRINE|L-Noradrenaline|Noradrenaline|Norepinephrine|norepinefrina|norepinephrine|norepinephrinum http://purl.obolibrary.org/obo/CHEBI_18357 3_STAR
CHEBI:18358 biolink:ChemicalSubstance methoxsalen A member of the class of psoralens that is 7H-furo[3,2-g]chromen-7-one in which the 9 position is substituted by a methoxy group. It is a constituent of the fruits of Ammi majus. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered topically or orally in conjunction with UV-A for phototherapy treatment of vitiligo and severe psoriasis. CAS:298-81-7|DrugBank:DB00553|Drug_Central:30|HMDB:HMDB0014693|KEGG:C01864|KEGG:D00139|KNApSAcK:C00000576|LINCS:LSM-3410|PDBeChem:8MO|PMID:15009205|PMID:28166217|PMID:7945434|Patent:US2889337|Reaxys:196453|Wikipedia:Methoxsalen phenio.json 6-hydroxy-7-methoxy-5-benzofuranacrylic acid delta-lactone|8-MOP|8-MP|8-Methoxyfuranocoumarin|8-Methoxypsoralen|8-methoxy-2',3',6,7-furocoumarin|8-methoxy-4',5':6,7-furocoumarin|8-methoxy-[furano-3'.2':6.7-coumarin]|8-methoxypsoralen|9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one|9-methoxy-7H-furo[3,2-g]chromen-7-one|METHOXSALEN|Meladinine|Meloxine|Methoxsalen|O-Methylxanthotoxol|O-methylxanthotoxol|Oxsoralen|Ultra Mop|Uvadex|Xanthotoxin|xanthotoxin http://purl.obolibrary.org/obo/CHEBI_18358 3_STAR
CHEBI:18359 biolink:ChemicalSubstance holo-[acyl-carrier protein] KEGG:C00229 phenio.json ACP|Acyl-carrier protein|[Acyl-carrier protein] http://purl.obolibrary.org/obo/CHEBI_18359 3_STAR
CHEBI:18360 biolink:ChemicalSubstance 13-(2-methylcrotonoyloxy)lupanine KEGG:C04170 phenio.json (+)-13alpha-Tigloyloxylupanine|(2S,7R,7aR,14R,14aR)-11-oxododecahydro-2H,11H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocin-2-yl (2E)-2-methylbut-2-enoate|13-(2-Methylcrotonoyl)oxylupanine|13-(2-Methylcrotonoyl)oxylupinine|2-oxospartein-13beta-yl 2-methylcrotonate http://purl.obolibrary.org/obo/CHEBI_18360 3_STAR
CHEBI:18361 biolink:ChemicalSubstance diphosphate(4-) CAS:14000-31-8|Gmelin:26938|KEGG:C00013|PDBeChem:DPO phenio.json DIPHOSPHATE|Diphosphat|Diphosphate|P2O7(4-)|PPi|Pyrophosphat|Pyrophosphate|[O3POPO3](4-)|diphosphate|mu-oxido-bis(trioxidophosphate)(4-)|mu-oxo-hexaoxodiphosphate|pyrophosphate ion http://purl.obolibrary.org/obo/CHEBI_18361 3_STAR
CHEBI:18362 biolink:ChemicalSubstance 17-O-deacetylvindoline A vinca alkaloid that is vindoline in which the acetate ester group at position 17 has been hydrolysed to give the corresponding secondary alcohol. KEGG:C01091|KNApSAcK:C00024529|Reaxys:63743|Wikipedia:Deacetylvindoline phenio.json 17-O-Deacetylvindoline|17-O-deacetylvindoline|Deacetylvindoline|Desacetylvindoline|methyl (2beta,3beta,4beta,5alpha,12beta,19alpha)-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate|methyl 3beta,4beta-dihydroxy-16-methoxy-1-methyl-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate http://purl.obolibrary.org/obo/CHEBI_18362 3_STAR
CHEBI:18363 biolink:ChemicalSubstance reticulinylium A benzylisoquinoline alkaloid that is obtained by selective dehydrogenation at the 1,2-position of reticuline. CAS:16202-17-8|KEGG:C06167|KNApSAcK:C00027111|PMID:15081299|PMID:15921406|Reaxys:4158880 phenio.json 1,2-Dehydroreticuline|1,2-Dehydroreticulinium|1,2-dehydroreticuline|3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinolinium|7-hydroxy-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-3,4-dihydroisoquinolinium http://purl.obolibrary.org/obo/CHEBI_18363 3_STAR
CHEBI:183638 biolink:ChemicalSubstance ketanserin(1+) A piperidinium ion obtained by protonation of the piperidine nitrogen of ketanserin; major microspecies at pH 7.3. phenio.json 1-[2-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)ethyl]-4-(4-fluorobenzoyl)piperidinium|ketanserin cation http://purl.obolibrary.org/obo/CHEBI_183638 3_STAR
CHEBI:183639 biolink:ChemicalSubstance SRT 1720 phenio.json http://purl.obolibrary.org/obo/CHEBI_183639 1_STAR
CHEBI:18364 biolink:ChemicalSubstance 14-demethyllanosterol A 3beta-sterol formed formally by loss of a methyl group from the 14-position of lanosterol. CAS:7448-02-4|KEGG:C05108|KNApSAcK:C00023776|Reaxys:2302110 phenio.json (3beta,5alpha)-4,4-dimethylcholesta-8,24-dien-3-ol|14-Demethyllanosterol|14-desmethyllanosterol|4,4-Dimethyl-5alpha-cholesta-8,24-dien-3beta-ol|4,4-Dimethyl-8,24-cholestadienol|4,4-dimethyl-5alpha-cholesta-8,24-dien-3beta-ol|4,4-dimethylcholesta-8(9),24-dien-3beta-ol|4,4-dimethylzymosterol http://purl.obolibrary.org/obo/CHEBI_18364 3_STAR
CHEBI:18365 biolink:ChemicalSubstance naphthalene-1,3,6,8-tetrol A naphthalenetetrol that is naphthalene substituted by hydroxy groups at positions 1, 3, 6 and 8. CAS:18512-30-6|KEGG:C04033|KNApSAcK:C00000548 phenio.json 1,3,6,8-Naphthalenetetrol|1,3,6,8-Tetrahydroxynaphthalene|naphthalene-1,3,6,8-tetrol http://purl.obolibrary.org/obo/CHEBI_18365 3_STAR
CHEBI:18366 biolink:ChemicalSubstance Arg-tRNA(Arg) KEGG:C02163 phenio.json Arg-tRNA(Arg)|L-Arginyl-tRNA|L-Arginyl-tRNA(Arg) http://purl.obolibrary.org/obo/CHEBI_18366 3_STAR
CHEBI:18367 biolink:ChemicalSubstance phosphate(3-) A phosphate ion that is the conjugate base of hydrogenphosphate. CAS:14265-44-2|Gmelin:1997|KEGG:C00009|PDBeChem:PO4|Reaxys:3903772|Wikipedia:Phosphate phenio.json Orthophosphate|PHOSPHATE ION|PO4(3-)|Phosphate|[PO4](3-)|phosphate|tetraoxidophosphate(3-)|tetraoxophosphate(3-)|tetraoxophosphate(V) http://purl.obolibrary.org/obo/CHEBI_18367 3_STAR
CHEBI:18368 biolink:ChemicalSubstance D-glucosyl-N-acylsphingosine Sphingosine substituted at the 1-hydroxy group by a D-glucosyl group and at the 2-amino group by an acyl group. KEGG:C01190|KEGG:G10238|MetaCyc:Glucosyl-Cermaides|PMID:10951276|PMID:10970788|PMID:12649340|PMID:19443184|PMID:20919653 phenio.json D-Glucosyl-N-acylsphingosine|Glucocerebroside|Glucosylceramide|N-acyl-D-glucosylsphingosine http://purl.obolibrary.org/obo/CHEBI_18368 3_STAR
CHEBI:18370 biolink:ChemicalSubstance 7-deoxyloganin CAS:26660-57-1|KEGG:C06071|KNApSAcK:C00003077 phenio.json 7-Deoxyloganin|7-deoxyloganin|Deoxyloganin|methyl (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate http://purl.obolibrary.org/obo/CHEBI_18370 3_STAR
CHEBI:18371 biolink:ChemicalSubstance cis-4-carboxymethylenebut-2-en-4-olide Beilstein:3649017|CAS:3374-46-7|CAS:73237-79-3|KEGG:C04431|UM-BBD_compID:c0299 phenio.json (2E)-(5-oxofuran-2(5H)-ylidene)acetic acid|(5-oxo-2(5H)-furanylidene)acetic acid|4-Carboxymethylenebut-2-en-4-olide|cis-4-Carboxymethylenebut-2-en-4-olide http://purl.obolibrary.org/obo/CHEBI_18371 3_STAR
CHEBI:18372 biolink:ChemicalSubstance 7,8-dihydroneopterin 3'-triphosphate KEGG:C04895|KNApSAcK:C00007510 phenio.json (2R,3S)-3-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropyl tetrahydrogen triphosphate|2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine triphosphate|6-(L-erythro-1,2-Dihydroxypropyl 3-triphosphate)-7,8-dihydropterin|6-(L-erythro-1,2-dihydroxy-3-triphosphooxypropyl)-7,8-dihydropterin|6-[(1S,2R)-1,2-Dihydroxy-3-triphosphooxypropyl]-7,8-dihydropterin|7,8-Dihydroneopterin 3'-triphosphate|7,8-dihydroneopterin 3'-triphosphate http://purl.obolibrary.org/obo/CHEBI_18372 3_STAR
CHEBI:18373 biolink:ChemicalSubstance (7S)-salutaridinol Beilstein:1552912|KEGG:C05220 phenio.json 3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-4,7alpha-diol|5,6,8,14-Tetradehydro-3,6-dimethoxy-17-methyl-morphinan-4,7-diol|Salutaridinol|salutaridinol-II http://purl.obolibrary.org/obo/CHEBI_18373 3_STAR
CHEBI:18374 biolink:ChemicalSubstance 1-(5-phospho-beta-D-ribosyl)-5'-AMP An AMP-sugar in which the hydrogen at position 1 of AMP is substituted by a 5-phospho-beta-D-ribosyl group. KEGG:C02741|KNApSAcK:C00007241|Reaxys:7064825 phenio.json 1-(5-O-phosphono-beta-D-ribofuranosyl)adenosine 5'-(dihydrogen phosphate)|1-(5-Phospho-beta-D-ribosyl)-AMP|1-(5-Phosphoribosyl)-AMP|1-(5-phospho-beta-D-ribofuranosyl)-5'-adenylic acid|5-phosphoribosyl-AMP|N1-(5-Phospho-D-ribosyl)-AMP|Phosphoribosyl-AMP http://purl.obolibrary.org/obo/CHEBI_18374 3_STAR
CHEBI:18375 biolink:ChemicalSubstance nucleoside 3',5'-cyclic phosphate A ribosyl or deoxyribosyl derivative of a pyrimidine or purine base in which C-3 and C-5 of the ribose ring are engaged in formation of a cyclic mono-, di-, tri- or tetra-phosphate. phenio.json nucleoside 3',5'-cyclic phosphates http://purl.obolibrary.org/obo/CHEBI_18375 3_STAR
CHEBI:18376 biolink:ChemicalSubstance dermatan sulfate Any of a group of glycosaminoglycans with repeating units consisting of variously sulfated beta1->4-linked L-iduronyl-(alpha1->3)-N-acetyl-D-galactosamine units. Beilstein:8390617|CAS:24967-94-0|KEGG:C00426 phenio.json Chondroitin sulfate B|Dermatan L-iduronate|beta-Heparin http://purl.obolibrary.org/obo/CHEBI_18376 3_STAR
CHEBI:18377 biolink:ChemicalSubstance N-formylkynurenine CAS:1022-31-7|FooDB:FDB022486|HMDB:HMDB0001200|KNApSAcK:C00058937|PMID:1018016|PMID:1086300|PMID:1187809|PMID:19353782|PMID:20408979|PMID:21254311|PMID:21527632|PMID:21770952|PMID:21892828|PMID:22860088|PMID:23314482|PMID:25907332|PMID:26560839|PMID:38649417|PMID:4275312|PMID:4674628|PMID:4819957|PMID:4835227|PMID:5168391|PMID:7118867|PMID:8766816 phenio.json 2-amino-4-(2-formamidophenyl)-4-oxo-butanoic acid|2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid|3-(2-formamidobenzoyl)alanine|N'-formylkynurenine|N-formylkynurenine|alpha-amino-2-(formylamino)-gamma-oxobenzenebutanoic acid|formylkynurenine http://purl.obolibrary.org/obo/CHEBI_18377 3_STAR
CHEBI:18379 biolink:ChemicalSubstance nitrile A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it. KEGG:C00726 phenio.json Nitril|Nitrile|R-CN|a nitrile|nitrile|nitriles|nitrilos http://purl.obolibrary.org/obo/CHEBI_18379 3_STAR
CHEBI:183798 biolink:ChemicalSubstance CE(20:4) A cholesterol ester in which the acyl group contains 20 carbons in total and 4 double bonds. phenio.json CE 20:4|ChE 20:4|cholesterol ester 20:4|cholesterol ester(20:4) http://purl.obolibrary.org/obo/CHEBI_183798 2_STAR
CHEBI:18380 biolink:ChemicalSubstance 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate Beilstein:4648351|KEGG:C04932|LIPID_MAPS_instance:LMSL01040002 phenio.json 2,3,2',3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate|2,3-Bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate|2,3-Bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(3-hydroxy-tetradecanoyl)-D-glucosaminyl beta-phosphate|2,3-Bis-(beta-hydroxymyristoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(beta-hydroxymyristoyl)-D-glucosaminyl beta-phosphate|2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose|Lipid A disaccharide|lipid A-disaccharide-1-P|lipid A-disaccharide-1-phosphate http://purl.obolibrary.org/obo/CHEBI_18380 3_STAR
CHEBI:18381 biolink:ChemicalSubstance 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide Beilstein:58077|KEGG:C04734|PDBeChem:FAI phenio.json 1-(4-carbamoyl-5-formamido-1H-imidazol-1-yl)-1-deoxy-D-ribofuranose 5-(dihydrogen phosphate)|1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide|1-(5'-phosphoribosyl)-5-formamido-4-imidazolecarboxamide|5'-Phosphoribosyl-5-formamido-4-imidazolecarboxamide|5'-phosphoribosyl-5-formamido-4-imidazolecarboxamide|5-Formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide|5-Formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide|5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide|5-formamido-1-(5-phosphoribosyl)imidazole-4-carboxamide|FAICAR http://purl.obolibrary.org/obo/CHEBI_18381 3_STAR
CHEBI:183811 biolink:ChemicalSubstance Moxidectin CAS:113507-06-5|Chemspider:22901017|DrugBank:DB11431|Drug_Central:5286|KEGG:D05084 phenio.json (1R,4S,4'E,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one http://purl.obolibrary.org/obo/CHEBI_183811 2_STAR
CHEBI:18383 biolink:ChemicalSubstance 3-aminoalanine A diamino acid that is alanine in which one of the hydrogens of the methyl group is replaced by an amino group. CAS:515-94-6|KEGG:C06393|MetaCyc:CPD-1782|PMID:20480482|PMID:24144917|Reaxys:1721398 phenio.json 2,3-Diaminopropanoate|2,3-Diaminopropanoic acid|2,3-Diaminopropionate|2,3-Diaminopropionic acid|2,3-diaminopropanoic acid|2,3-diaminopropionic acid|Dap|Dpr http://purl.obolibrary.org/obo/CHEBI_18383 3_STAR
CHEBI:18384 biolink:ChemicalSubstance 1D-myo-inositol 4-phosphate CAS:46495-39-0|KEGG:C03546 phenio.json 1D-myo-Inositol 4-monophosphate|1D-myo-Inositol 4-phosphate|1D-myo-inositol 4-(dihydrogen phosphate)|D-myo-Inositol 4-phosphate http://purl.obolibrary.org/obo/CHEBI_18384 3_STAR
CHEBI:18385 biolink:ChemicalSubstance thiamine(1+) A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively. Beilstein:3595616|CAS:70-16-6|Chemspider:1098|DrugBank:DB00152|Drug_Central:2832|FooDB:FDB008424|Gmelin:334462|HMDB:HMDB0000235|KEGG:C00378|KNApSAcK:C00000775|LINCS:LSM-5996|MetaCyc:THIAMINE|PDBeChem:VIB|PMID:10436256|PMID:10542220|PMID:10883001|PMID:11015250|PMID:11435118|PMID:11899071|PMID:11977806|PMID:12111441|PMID:1538220|PMID:15451668|PMID:15862682|PMID:16645728|PMID:17964830|PMID:18652651|PMID:21706007|PMID:21848803|PMID:24079939|PMID:24768306|PMID:7291135|PMID:7731897|PMID:7733128|PMID:8192530|PMID:8205249|PMID:8522961|PMID:8619543|PMID:9387133|Wikipedia:Thiamine phenio.json 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM|3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium|Aneurin|Antiberiberi factor|Thiamin|Thiamine|Vitamin B1|thiamine|thiamine cation|thiamine ion|thiamine(1+) ion|thiaminium|vitamin B1 http://purl.obolibrary.org/obo/CHEBI_18385 3_STAR
CHEBI:18386 biolink:ChemicalSubstance quinaldic acid A quinolinemonocarboxylic acid having the carboxy group at the 2-position. CAS:93-10-7|DrugBank:DB02428|Gmelin:143145|HMDB:HMDB0000842|KEGG:C06325|PMID:23801834|PMID:801703|Reaxys:126322 phenio.json 2-Chinolincarbonsaeure|2-Quinolinecarboxylate|2-Quinolinecarboxylic acid|2-carboxyquinoline|Chinaldinsaeure|QUINALDIC ACID|Quinaldate|Quinaldic acid|Quinaldinic acid|quinoline-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_18386 3_STAR
CHEBI:18387 biolink:ChemicalSubstance N-formimidoyl-L-aspartate(2-) A dicarboxylic acid anion resuting from removal of a proton from both carboxy groups of N-formimidoyl-L-aspartic acid. phenio.json (2S)-2-(methanimidamido)butanedioate|N-methanimidoyl-L-aspartate http://purl.obolibrary.org/obo/CHEBI_18387 3_STAR
CHEBI:18388 biolink:ChemicalSubstance apigenin A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 4', 5 and 7. It induces autophagy in leukaemia cells. CAS:520-36-5|HMDB:HMDB0002124|KEGG:C01477|KNApSAcK:C00003817|LINCS:LSM-5206|LIPID_MAPS_instance:LMPK12110005|MetaCyc:CPD-431|PDBeChem:AGI|PMID:23304222|PMID:23344191|PMID:23354402|PMID:23359392|PMID:28166217|Reaxys:262620|Wikipedia:Apigenin phenio.json 2-(p-hydroxyphenyl)-5,7-dihydroxychromone|4',5,7-Trihydroxyflavone|5,7,4'-Trihydroxyflavone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|Apigenin|C.I. Natural Yellow 1|chamomile|spigenin|versulin http://purl.obolibrary.org/obo/CHEBI_18388 3_STAR
CHEBI:18390 biolink:ChemicalSubstance N-acyl-beta-D-galactosylsphingosine An N-acyl-D-galactosylsphingosine in which the anomeric configuration of the galactosyl residue is beta; sphingosine substituted at the O-1 position by a beta-D-galactosyl group and at the N-2 position by an acyl group. KEGG:C02686|KEGG:G11121|PMID:16083805|PMID:1620344|PMID:27485170|PMID:8866432 phenio.json 1-O-D-galactopyranosyl-2-N-acylsphingosine|1-O-beta-D-galactopyranosylceramide|Cerebroside|D-Galactosyl-N-acylsphingosine|D-Galactosylceramide|GalC|Galactocerebroside|Galactosylceramide|a beta-D-galactosyl-(1<->1')-N-acylsphing-4-enine|beta-GalCer|beta-galactosyl-(1->1)-ceramide|galactocerebrosides|ganglioside GL1b http://purl.obolibrary.org/obo/CHEBI_18390 3_STAR
CHEBI:183905 biolink:ChemicalSubstance Biphenylindanone a Chemspider:8044271 phenio.json 4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid http://purl.obolibrary.org/obo/CHEBI_183905 2_STAR
CHEBI:18391 biolink:ChemicalSubstance D-gluconate A gluconate having D-configuration. Gmelin:83544|HMDB:HMDB0000625|KEGG:C00257|MetaCyc:GLUCONATE|PMID:17439666|Reaxys:3906521 phenio.json 2,3,4,5,6-pentahydroxyhexanoate|D-gluconate|Dextronate|Glycogenate|Glyconate|Maltonate http://purl.obolibrary.org/obo/CHEBI_18391 3_STAR
CHEBI:18392 biolink:ChemicalSubstance bis(beta-glucosyluronic acid)bilirubin CAS:17459-92-6|KEGG:C05787 phenio.json 1,1'-di-O-{3,3'-[8-(carboxyethyl)-2,17-diethenyl-2,7,13,18-tetramethyl-1,19-dioxo-21,24-dihydrobila-4,15-diene-8,12-diyl]dipropanoyl}bis(beta-D-glucopyranuronic acid)|Bilirubin beta-diglucuronide|Bilirubin-bisglucuronoside http://purl.obolibrary.org/obo/CHEBI_18392 3_STAR
CHEBI:183921 biolink:ChemicalSubstance Glutathione ethyl ester CAS:24425-52-3|Chemspider:96831 phenio.json (2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-ethylsulanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid http://purl.obolibrary.org/obo/CHEBI_183921 2_STAR
CHEBI:18393 biolink:ChemicalSubstance naphthalene-1,3,8-triol A naphthalenetriol that is naphthalene substituted by hydroxy groups at positions 1, 3 and 8. KEGG:C01173 phenio.json 1,3,8-Naphthalenertriol|1,3,8-Trihydroxynaphthalene|1,3,8-trihydroxynaphthalene|naphthalene-1,3,8-triol http://purl.obolibrary.org/obo/CHEBI_18393 3_STAR
CHEBI:18394 biolink:ChemicalSubstance 6-O-alpha-D-glucopyranosyl-D-fructofuranose A glycosylfructose that is D-fructofuranose attached to a alpha-D-glucopyranosyl unit at position 6 via a glycosidic linkage. It is found in honey and sugarcane. Beilstein:1435314|CAS:13718-94-0|CAS:15132-06-6|KEGG:C01742|KEGG:G01241|MetaCyc:CPD-230|PMID:17548953|PMID:21895946|PMID:22133441|PMID:22264450|PMID:24866943|Patent:EP1328647|Patent:WO0218603|Reaxys:1435314 phenio.json 6-O-alpha-D-Glucopyranosyl-D-fructofuranose|6-O-alpha-D-glucopyranosyl-D-fructofuranose|6-O-alpha-D-glucopyranosyl-D-fructose|Palatinose|isomaltulose http://purl.obolibrary.org/obo/CHEBI_18394 3_STAR
CHEBI:18395 biolink:ChemicalSubstance 2-dehydropantolactone CAS:13031-04-4|KEGG:C01125 phenio.json 2-Dehydropantolactone|2-Dehydropantoyl lactone|2-dehydropantolactone|4,4-dimethyl-4,5-dihydrofuran-2,3-dione|Dihydro-4,4-dimethyl-2,3-Furandione http://purl.obolibrary.org/obo/CHEBI_18395 3_STAR
CHEBI:18396 biolink:ChemicalSubstance beta-D-mannosyldiacetylchitobiosyldiphosphodolichol KEGG:C05860|KEGG:G00003 phenio.json beta-1,4-D-Mannosylchitobiosyldiphosphodolichol|beta-D-Mannosyldiacetylchitobiosyldiphosphodolichol http://purl.obolibrary.org/obo/CHEBI_18396 3_STAR
CHEBI:18397 biolink:ChemicalSubstance 2-phenylethylamine A phenylethylamine having the phenyl substituent at the 2-position. CAS:64-04-0|DrugBank:DB04325|ECMDB:ECMDB02654|Gmelin:50120|HMDB:HMDB0012275|KEGG:C05332|KNApSAcK:C00001426|PDBeChem:PEA|PMID:20390105|PMID:21191624|PMID:23225177|PMID:23564683|PMID:7906896|Reaxys:507488|Wikipedia:2-phenylethylamine phenio.json 2-Phenylethylamine|2-phenylethanamine|Phenethylamine|Phenylethylamine|benzeneethanamine|beta-Phenylethylamine|beta-aminoethylbenzene|beta-phenethylamine http://purl.obolibrary.org/obo/CHEBI_18397 3_STAR
CHEBI:18398 biolink:ChemicalSubstance linear maltodextrin A maltodextrin in which the alpha-(1->4)-linked D-glucose units form a linear chain, typically from 3 to 17 glucose units long. (Cf. amylose, in which the chain length ranges from around 300 to several thousand glucose units). KEGG:C01935|KEGG:D02329|KEGG:G10495|Wikipedia:Maltodextrin phenio.json Linear maltodextrin|Maltodextrin|linear maltodextrin http://purl.obolibrary.org/obo/CHEBI_18398 3_STAR
CHEBI:18399 biolink:ChemicalSubstance codeinone CAS:467-13-0|KEGG:C06171|KNApSAcK:C00027603|PMID:12606908|PMID:1723940|PMID:29779229|PMID:34547292|PMID:3707597 phenio.json (5alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-one|3-methoxy-17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-6-one|Codeinone http://purl.obolibrary.org/obo/CHEBI_18399 3_STAR
CHEBI:18400 biolink:ChemicalSubstance 2-hydroxy-1,4-benzoquinone The simplest member of the class of 2-hydroxy-1,4-benzoquinones, that is 1,4-benzoquinone in which a single hydrogen is replaced by a hydroxy group. CAS:2474-72-8|KEGG:C07103|PMID:1899343|PMID:2801212|Reaxys:1929846|UM-BBD_compID:c0598|Wikipedia:Hydroxy-1,4-benzoquinone phenio.json 2-Hydroxy-1,4-benzoquinone|2-Hydroxy-p-benzoquinone|2-hydroxy-1,4-benzoquinone|2-hydroxycyclohexa-2,5-diene-1,4-dione|Hydroxybenzoquinone http://purl.obolibrary.org/obo/CHEBI_18400 3_STAR
CHEBI:18401 biolink:ChemicalSubstance phenylacetate A monocarboxylic acid anion that is the conjugate base of phenylacetic acid. Gmelin:327522|MetaCyc:PHENYLACETATE|Reaxys:3539899|UM-BBD_compID:c0211 phenio.json 2-phenylacetate|2-phenylethanoate|phenylacetate|phenylacetate anion|phenylacetate(1-)|phenylacetic acid anion http://purl.obolibrary.org/obo/CHEBI_18401 3_STAR
CHEBI:184014 biolink:ChemicalSubstance 7-hydroxyfluphenazine Chemspider:148229 phenio.json 10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-8-(triluoromethyl)phenothiazin-3-ol http://purl.obolibrary.org/obo/CHEBI_184014 2_STAR
CHEBI:18402 biolink:ChemicalSubstance 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid A steroid acid that is 5beta-cholestan-26-oic acid which is substituted by hydroxy groups as the 3alpha, 7alpha, and 12alpha positions. CAS:547-98-8|HMDB:HMDB0000601|HMDB:HMDB0003873|KEGG:C04722|LIPID_MAPS_instance:LMST04030001|Reaxys:5384623 phenio.json (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestan-26-oic acid|3,7,12-trihydroxycholestan-26-oic acid|3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid|coprocholic acid http://purl.obolibrary.org/obo/CHEBI_18402 3_STAR
CHEBI:184023 biolink:ChemicalSubstance Argininosuccinic acid Chemspider:16059|HMDB:HMDB0000052|KEGG:C03406|MetaCyc:L-ARGININO-SUCCINATE phenio.json (2S)-2-[[N'-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid http://purl.obolibrary.org/obo/CHEBI_184023 2_STAR
CHEBI:184024 biolink:ChemicalSubstance Bacoside a Chemspider:21468707 phenio.json (5R,8R,9S,10S,13R,14R,17S)-3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-10-(hydroxymethyl)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,14-tetramethyl-1,2,3,5,6,7,9,11,12,13,15,17-dodecahydrocyclopenta[a]phenanthren-16-one http://purl.obolibrary.org/obo/CHEBI_184024 2_STAR
CHEBI:18403 biolink:ChemicalSubstance L-arabinitol The L-enantiomer of arabinitol. CAS:7643-75-6|HMDB:HMDB0001851|KEGG:C00532|MetaCyc:L-ARABITOL|PMID:13525419|PMID:17979222|PMID:21742908|PMID:22306314|PMID:22609752|PMID:22810910|PMID:23287496|PMID:23436125|PMID:23713061|PMID:24193245|PMID:24643482|PMID:25108762 phenio.json L-Arabinitol|L-Arabinol|L-Arabitol|L-Lyxitol|L-arabinitol|L-arabinol|L-arabitol|L-lyxitol http://purl.obolibrary.org/obo/CHEBI_18403 3_STAR
CHEBI:18404 biolink:ChemicalSubstance 3-methylcatechol A methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pesticide-contaminated soil samples. CAS:488-17-5|DrugBank:DB03454|KEGG:C02923|MetaCyc:CPD-111|PDBeChem:MBD|PMID:20582618|PMID:22854893|PMID:23250222|Reaxys:774602|UM-BBD_compID:c0125|Wikipedia:3-Methylcatechol phenio.json 2,3-Dihydroxytoluene|2,3-dihydroxytoluene|3-METHYLCATECHOL|3-Methylcatechol|3-methylbenzene-1,2-diol|3-methylcatechol http://purl.obolibrary.org/obo/CHEBI_18404 3_STAR
CHEBI:18405 biolink:ChemicalSubstance pyridoxal 5'-phosphate The monophosphate ester obtained by condensation of phosphoric acid with the primary hydroxy group of pyridoxal. CAS:54-47-7|COMe:MOL000108|DrugBank:DB00114|Drug_Central:3506|Gmelin:465416|HMDB:HMDB0001491|KEGG:C00018|KNApSAcK:C00007503|PDBeChem:PLP|PMID:14651974|PMID:16277678|PMID:18491919|PMID:6339724|PMID:7284379|PMID:9866693|Reaxys:234749|Wikipedia:Pyridoxal_phosphate phenio.json (4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate|3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinecarboxaldehyde|3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinaldehyde 5-phosphate|PLP|PYRIDOXAL-5'-PHOSPHATE|Phosphoric acid mono-(4-formyl-5-hydroxy-6-methyl-pyridin-3-ylmethyl) ester|Pyridoxal 5'-phosphate|Pyridoxal 5-phosphate|Pyridoxal phosphate|codecarboxylase|pyridoxal 5'-(dihydrogen phosphate)|pyridoxal 5-monophosphoric acid ester http://purl.obolibrary.org/obo/CHEBI_18405 3_STAR
CHEBI:18406 biolink:ChemicalSubstance AICA ribonucleotide A 1-(phosphoribosyl)imidazolecarboxamide that is acadesine in which the hydroxy group at the 5' position has been converted to its monophosphate derivative. CAS:3031-94-5|DrugBank:DB01700|ECMDB:ECMDB01517|HMDB:HMDB0001517|KEGG:C04677|KNApSAcK:C00007383|PDBeChem:AMZ|PMID:23988673|PMID:25078608|PMID:8227467|Reaxys:52565|Wikipedia:AICA_ribonucleotide|YMDB:YMDB01481 phenio.json 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide|1-(5'-phosphoribosyl)-5-amino-4-imidazolecarboxamide|5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide|5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide|5'-phospho-ribosyl-5-amino-4-imidazole carboxamide|5'-phosphoribosyl-5-amino-4-imidazolecarboxamide|5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide|5-Aminoimidazole-4-carboxamide ribotide|5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole|5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide|5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide|5-aminoimidazole-4-carboxamide ribotide|5-phosphoribosyl-4-carbamoyl-5-aminoimidazole|AICA-ribonucleotide|AICAR|Aica ribonucleotide|acadesine 5'-monophosphate http://purl.obolibrary.org/obo/CHEBI_18406 3_STAR
CHEBI:18407 biolink:ChemicalSubstance hydrogen cyanide A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom CAS:74-90-8|HMDB:HMDB0060292|KEGG:C01326|KNApSAcK:C00007569|MetaCyc:HCN|PMID:19849830|PMID:26700190|PMID:26778429|PMID:26823582|PMID:26940198|PMID:27123778|Reaxys:1718793|Wikipedia:Hydrogen_cyanide phenio.json Blausaeure|Cyanwasserstoff|HCN|Hydrogen cyanide|[CHN]|formonitrile|hydridonitridocarbon|hydrocyanic acid|hydrogen cyanide|hydrogen(nitridocarbonate)|methanenitrile http://purl.obolibrary.org/obo/CHEBI_18407 3_STAR
CHEBI:18408 biolink:ChemicalSubstance cobamamide A member of the class of cobalamins that is vitamin B12 in which the cyano group is replaced by a 5'-deoxyadenos-5'-yl moiety. It is one of the two metabolically active form of vitamin B12. CAS:13870-90-1|DrugBank:DB11191|Gmelin:439994|HMDB:HMDB0002086|KEGG:C00194|MetaCyc:ADENOSYLCOBALAMIN|PDBeChem:B1Z|PMID:11792214|PMID:12093296|PMID:17011224|Reaxys:4122932|Wikipedia:Cobamamide phenio.json (5,6-Dimethylbenzimidazolyl)cobamide coenzyme|(5,6-dimethylbenzimidazolyl)cobamide coenzyme|5'-Deoxy-5'-adenosyl vitamin B12|5'-Deoxy-5'-adenosyl-5,6-dimethylbenzimidazolylcobamide|5'-Deoxy-5'-adenosylcobalamin|5'-deoxyadenosyl vitamin B12|5'-deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide|5'-deoxyadenosylcobalamin|5,6-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide|5,6-Dimethylbenzimidazolyl-Co-5'-deoxy-5'-adenosylcobamide|Adenosylcob(III)alamin|Adenosylcobalamin|AdoCbl|Calomide|Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-(5'-deoxy-5'-adenosyl)cobamide|Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-adenosylcobamide|Cobalamin coenzyme|Cobamamide|Coenzyme B12|DBC coenzyme|DMBC coenzyme|Deoxyadenosylcobalamin|Dibencozide|Funacomide|Vitamin B12 coenzyme|adenosylcob(III)alamin|adenosylcobalamin|alpha-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme|cobamamid|cobamamida|cobamamide|cobamamidum|cobamide coenzyme|coenzyme B-12 http://purl.obolibrary.org/obo/CHEBI_18408 3_STAR
CHEBI:18409 biolink:ChemicalSubstance (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid KEGG:C06010 phenio.json (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid|(S)-2-Acetolactate|(S)-2-Hydroxy-2-methyl-3-oxobutanoate|(S)-2-acetolactate|(S)-2-hydroxy-2-methyl-3-oxobutanoate http://purl.obolibrary.org/obo/CHEBI_18409 3_STAR
CHEBI:18410 biolink:ChemicalSubstance N-formylanthranilate An amidobenzoate consisting of anthranilate carrying an N-formyl group. phenio.json 2-(formylamino)benzoate|2-formamidobenzoate|Formylanthranilate|N-Formylanthranilate|N-formylanthranilate|N-formylanthranilate anion http://purl.obolibrary.org/obo/CHEBI_18410 3_STAR
CHEBI:18411 biolink:ChemicalSubstance laminarabiose A glycosylglucose consisting of D-glucose with undefined anomeric stereochemistry and a beta-D-glucosyl residue attached at the 3-position. Beilstein:1292730|CAS:34980-39-7|KEGG:C02048|KEGG:G00357|KNApSAcK:C00001137|PDBeChem:LB2 phenio.json 3-O-(beta-D-Glucopyranosyl)-D-glucose|3-beta-D-Glucosyl-D-glucose|Laminarabiose|Laminariaceae|Laminaribiose|beta-D-Glc-(1->3)-D-Glc|beta-D-Glcp-(1->3)-D-Glcp|beta-D-Glup-(1->3)-D-Glu|beta-D-glucopyranosyl-(1->3)-D-glucopyranose|beta-D-glucosyl-(1->3)-D-glucose|betaGlcbeta(1-3)Glc http://purl.obolibrary.org/obo/CHEBI_18411 3_STAR
CHEBI:18412 biolink:ChemicalSubstance N(omega)-phospho-L-arginine An arginine derivative that is L-arginine substituted by a phosphono group at N(omega)-position. Beilstein:1729410|CAS:1189-11-3|HMDB:HMDB0029438|KEGG:C05945|PMID:2836197|PMID:7371925|PMID:891981|Reaxys:1729410 phenio.json (2S)-2-amino-5-{[imino(phosphonoamino)methyl]amino}pentanoic acid|Arginine phosphate|L-Arginine phosphate|L-Arginine-NG-phosphoric acid|N(5)-[imino(phosphonoamino)methyl]-L-ornithine|N(omega)-Phospho-L-arginine|N(omega)-phosphono-L-arginine|N-Phospho-L-arginine|N5-[Imino(phosphonoamino)methyl]L-ornithine|Phospho-L-arginine|Phosphoarginine|Phosphoarginine A|alpha-amino-delta-phosphonoguanidinovaleric acid|omega-N-Phosphoarginine|omega-N-phospho-L-arginine http://purl.obolibrary.org/obo/CHEBI_18412 3_STAR
CHEBI:18413 biolink:ChemicalSubstance 2-formamido-N(1)-(5-phospho-D-ribosyl)acetamidine KEGG:C04640 phenio.json 1-(5'-Phosphoribosyl)-N-formylglycinamidine|1-deoxy-1-[2-(formamido)acetimidamido]-D-ribofuranose 5-(dihydrogen phosphate)|2-(Formamido)-N1-(5'-phosphoribosyl)acetamidine|2-(Formamido)-N1-(5-phospho-D-ribosyl)acetamidine|5'-Phosphoribosyl-N-formylglycinamidine|5'-Phosphoribosylformylglycinamidine|N-[2-(formamido)ethanimidoyl]-5-O-phosphono-D-ribofuranosylamine http://purl.obolibrary.org/obo/CHEBI_18413 3_STAR
CHEBI:18415 biolink:ChemicalSubstance N-formimidoylglycine CAS:2140-03-6|KEGG:C02718 phenio.json Formiminoglycine|Glycine, N-(iminomethyl)-|N-(iminomethyl)glycine|N-Formimidoylglycine|N-Formiminoglycine|[(iminomethyl)amino]acetic acid http://purl.obolibrary.org/obo/CHEBI_18415 3_STAR
CHEBI:18416 biolink:ChemicalSubstance N-[(R)-pantothenoyl]-L-cysteine KEGG:C04079 phenio.json D-Pantothenoyl-L-cysteine|N-((R)-Pantothenoyl)-L-cysteine|N-{N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}-L-cysteine http://purl.obolibrary.org/obo/CHEBI_18416 3_STAR
CHEBI:18417 biolink:ChemicalSubstance (RS)-coclaurine CAS:486-39-5|KEGG:C06348 phenio.json (R,S)-Coclaurine|1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol|6-Methoxy-7-hydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline|Coclaurine http://purl.obolibrary.org/obo/CHEBI_18417 3_STAR
CHEBI:18418 biolink:ChemicalSubstance (RS)-norcoclaurine CAS:5843-65-2|KEGG:C06346 phenio.json (+-)-1,2,3,4-Tetrahydro-1-((4-hydroxyphenyl)methyl)-6,7-isoquinolinediol|(+-)-Demethylcoclaurine|(+-)-Norcoclaurine|(+-)-O-Demethylcoclaurine|(R,S)-Norcoclaurine|1-(4-hydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol|6,7-Dihydroxy-1-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline|Higenamine|Norcoclaurine http://purl.obolibrary.org/obo/CHEBI_18418 3_STAR
CHEBI:18419 biolink:ChemicalSubstance lactaldehyde A member of the class of propanals obtained by the reduction of the carboxylic group of lactic acid (2-hydroxypropanoic acid). CAS:598-35-6|KEGG:C05999 phenio.json 2-Hydroxypropanal|2-Hydroxypropionaldehyde|2-hydroxypropanal|2-hydroxypropionaldehyde|Lactaldehyde http://purl.obolibrary.org/obo/CHEBI_18419 3_STAR
CHEBI:18420 biolink:ChemicalSubstance magnesium(2+) CAS:22537-22-0|Gmelin:6857|KEGG:C00305|PDBeChem:MG|PMID:24259558 phenio.json MAGNESIUM ION|Mg(2+)|Mg2+|magnesium cation|magnesium(2+)|magnesium(2+) ion|magnesium(II) cation|magnesium, doubly charged positive ion|magnesium, ion (Mg(2+)) http://purl.obolibrary.org/obo/CHEBI_18420 3_STAR
CHEBI:18421 biolink:ChemicalSubstance superoxide CAS:11062-77-4|Chemspider:4514331|FooDB:FDB022880|Gmelin:487|HMDB:HMDB0002168|KEGG:C00704|MetaCyc:SUPER-OXIDE|PDBeChem:2FK|PMID:10440226|PMID:10523323|PMID:10588368|PMID:11008114|PMID:11333112|PMID:11485972|PMID:12097818|PMID:12137408|PMID:12598407|PMID:14529453|PMID:14703794|PMID:14726604|PMID:15586010|PMID:15807660|PMID:15952898|PMID:1671684|PMID:16771675|PMID:16814528|PMID:17052238|PMID:17303648|PMID:17531522|PMID:18519744|PMID:18827931|PMID:19273321|PMID:19482633|PMID:19628033|PMID:19857607|PMID:19914407|PMID:20868230|PMID:21297912|PMID:21434856|PMID:21473702|PMID:2160451|PMID:217531|PMID:22198225|PMID:22247596|PMID:22521482|PMID:22729857|PMID:22759590|PMID:23542447|PMID:23660153|PMID:23668959|PMID:24567847|PMID:24862271|PMID:2552230|PMID:26047895|PMID:26475962|PMID:26875845|PMID:27066025|PMID:27066179|PMID:27085844|PMID:27357008|PMID:27590268|PMID:27965593|PMID:28341974|PMID:28599858|PMID:28825637|PMID:28842347|PMID:28842493|PMID:29259135|PMID:29385710|PMID:29669742|PMID:29896077|PMID:30307099|PMID:30500433|PMID:30573187|PMID:30886134|PMID:31254369|PMID:31484901|PMID:32144830|PMID:32220789|PMID:32478084|PMID:32667121|PMID:32760286|PMID:32927603|PMID:33248264|PMID:33716500|PMID:33805942|PMID:34635271|PMID:7998676|PMID:8577306|PMID:8720916|PMID:8959373|PMID:9337481|Wikipedia:Superoxide phenio.json (O2)(.-)|Dioxid(1-)|Hyperoxid|O2(-)|O2(.-)|O2-|O2.-|Superoxide anion|dioxidanidyl|dioxide(.1-)|dioxide(1-)|hiperoxido|hyperoxide|superoxide|superoxide anion radical|superoxide radical|superoxide radical anion|superoxido|superoxyde http://purl.obolibrary.org/obo/CHEBI_18421 3_STAR
CHEBI:184217 biolink:ChemicalSubstance PC(19:3(10Z,13Z,16Z)/0:0) Chemspider:24823001|LIPID_MAPS_instance:LMGP01050003 phenio.json [(2R)-2-hydroxy-3-[(10Z,13Z,16Z)-nonadeca-10,13,16-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_184217 2_STAR
CHEBI:18422 biolink:ChemicalSubstance sulfur dioxide CAS:7446-09-5|DrugBank:DB16426|FooDB:FDB013399|Gmelin:1443|HMDB:HMDB0034834|KEGG:C09306|KEGG:D05961|PDBeChem:SO2|PMID:19238997|PMID:36976798|PMID:37049885|PMID:37192218|PMID:37439466|PMID:37844159|PMID:38099545|PMID:38232945|PMID:38305621|PMID:38414396|PMID:38476666|PMID:38642156|PMID:38661196|Wikipedia:Sulfur_dioxide phenio.json R-764|SO2|SULFUR DIOXIDE|Schwefel(IV)-oxid|Schwefeldioxid|Sulfur dioxide|[SO2]|dioxidosulfur|oxosulfane oxide|sulfur dioxide|sulfurous anhydride|sulfurous oxide|sulphur dioxide http://purl.obolibrary.org/obo/CHEBI_18422 3_STAR
CHEBI:18425 biolink:ChemicalSubstance 2-C-methyl-D-erythritol 2,4-cyclic diphosphate CAS:143488-44-2|KEGG:C11453|KNApSAcK:C00007295|PDBeChem:CDI|Wikipedia:2-C-Methyl-D-erythritol-2,4-cyclopyrophosphate phenio.json (6S,7R)-6-(hydroxymethyl)-6-methyl-1,3,5,2,4-trioxadiphosphocane-2,4,7-triol 2,4-dioxide|2-C-Methyl-D-erythritol 2,4-cyclodiphosphate|3-Methyl-1,2,3,4-tetrahydroxybutane-1,3-cyclic bisphosphate|MEcPP http://purl.obolibrary.org/obo/CHEBI_18425 3_STAR
CHEBI:184255 biolink:ChemicalSubstance Bavachinin CAS:19879-30-2|Chemspider:8512670 phenio.json (2S)-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one http://purl.obolibrary.org/obo/CHEBI_184255 2_STAR
CHEBI:18426 biolink:ChemicalSubstance 1D-myo-inositol 1,2-cyclic phosphate A myo-inositol cyclic phosphate that is the 1,2-cyclic phosphate derivative of 1D-myo-inositol. CAS:43119-57-9|KEGG:C04299|PMID:11417877|PMID:2450138|PMID:6860706|PMID:7679286|PMID:9214296|Reaxys:3208785 phenio.json 1D-myo-Inositol 1,2-cyclic phosphate|1D-myo-inositol 1,2-(hydrogen phosphate)|D-myo-Inositol 1,2-cyclic phosphate|myo-inositol 1,2-cyclic phosphate http://purl.obolibrary.org/obo/CHEBI_18426 3_STAR
CHEBI:18427 biolink:ChemicalSubstance 1D-1-O-methyl-myo-inositol A member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1R,2R,3S,4S,5R,6S-isomer). HMDB:HMDB0031437|KEGG:C03659|KNApSAcK:C00048928|PMID:22333437|PMID:23413198 phenio.json (-)-bornesitol|(1R,2R,3S,4S,5R,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol|1-O-Methyl-myo-inositol|1D-1-O-Methyl-myo-inositol|1D-1-O-methyl-myo-inositol|D-(-)-bornesitol|bornesitol http://purl.obolibrary.org/obo/CHEBI_18427 3_STAR
CHEBI:18429 biolink:ChemicalSubstance dehydrovomifoliol A fenchane monoterpenoid that is substituted by methyl groups at positions 3, 5, and 5, and by both a hydroxy group and a 3-oxobut-1-en-1-yl group at position 4. Beilstein:2050826|KEGG:C04223 phenio.json (+/-)-6-Hydroxy-3-oxo-alpha-ionone|(+/-)-6-hydroxy-3-oxo-alpha-ionone|(6RS)-6-hydroxy-9-apo-epsilon-carotene-3,9-dione|4-hydroxy-3,5,5-trimethyl-4-[(1E)-3-oxobut-1-en-1-yl]cyclohex-2-en-1-one|6-hydroxy-3-oxo-alpha-ionone http://purl.obolibrary.org/obo/CHEBI_18429 3_STAR
CHEBI:18430 biolink:ChemicalSubstance 3-hydroxy-16-methoxy-2,3-dihydrotabersonine KEGG:C04578 phenio.json 16-Methoxy-2,3-dihydro-3-hydroxytabersonine|16-methoxy-2,3-dihydro-3-hydroxytabersonine|methyl 3beta-hydroxy-16-methoxy-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidine-3alpha-carboxylate http://purl.obolibrary.org/obo/CHEBI_18430 3_STAR
CHEBI:184300 biolink:ChemicalSubstance ADP-2'-imine-ribofurano[1',2':4,5]oxazolidine(2-) residue PMID:34671164 phenio.json ADP-2'-imine-ribofurano[1',2':4,5]oxazolidine residue http://purl.obolibrary.org/obo/CHEBI_184300 2_STAR
CHEBI:18431 biolink:ChemicalSubstance 7alpha,26-dihydroxycholesterol An oxysterol that is cholesterol which is substituted by hydroxy groups at the 7alpha and 26 positions. Beilstein:6374535|CAS:4725-24-0|KEGG:C06341|LIPID_MAPS_instance:LMST04030081|Reaxys:6374535 phenio.json 5-cholestene-3beta,7alpha,26-triol|7-alpha,27-Dihydroxycholesterol|Cholest-5-ene-3beta,7alpha,26-triol|Cholest-5-ene-3beta,7alpha,27-triol|cholest-5-ene-3beta,7alpha,26-triol http://purl.obolibrary.org/obo/CHEBI_18431 3_STAR
CHEBI:18435 biolink:ChemicalSubstance (+)-7-isojasmonic acid An oxylipin that is [(1S)-3-oxocyclopentyl]acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 on the cyclopentanone ring. KEGG:C16317|KNApSAcK:C00000446|LIPID_MAPS_instance:LMFA02020003|MetaCyc:CPD-731|Reaxys:4180666 phenio.json (+)-7-iso-jasmonic acid|(+)-7-isojasmonic acid|(+)-Epijasmonic acid|2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid|{(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid http://purl.obolibrary.org/obo/CHEBI_18435 3_STAR
CHEBI:184376 biolink:ChemicalSubstance streptidine(2+) A guanidinium ion obtained by protonation of both guanidino groups of streptidine; major species at pH 7.3. phenio.json streptidine|streptidine dication|{[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diazanediyl}bis(aminomethaniminium)|{[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diimino}bis(aminomethaniminium) http://purl.obolibrary.org/obo/CHEBI_184376 3_STAR
CHEBI:184381 biolink:ChemicalSubstance bacitracin A zwitterion MetaCyc:CPD-19353 phenio.json bacitracin A http://purl.obolibrary.org/obo/CHEBI_184381 2_STAR
CHEBI:184385 biolink:ChemicalSubstance N6-[(R)-S8-glutaryldihydrolipoyl]-L-lysine(1-) residue PMID:28435050 phenio.json N(6)-[(R)-S(8)-glutaryldihydrolipoyl]-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_184385 2_STAR
CHEBI:1845 biolink:ChemicalSubstance 4-hydroxy-3-polyprenylbenzoic acid A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted at position 3 by any polyprenyl group. KEGG:C05848|MetaCyc:4-Hydroxy-3-polyprenylbenzoates phenio.json http://purl.obolibrary.org/obo/CHEBI_1845 3_STAR
CHEBI:18450 biolink:ChemicalSubstance (R)-mandelonitrile Beilstein:2613369|Beilstein:3588636|Beilstein:3588637 phenio.json (+)-mandelonitrile|(2R)-hydroxy(phenyl)acetonitrile|(R)-(+)-mandelonitrile|(R)-mandelonitrile|d-mandelonitrile http://purl.obolibrary.org/obo/CHEBI_18450 3_STAR
CHEBI:18481 biolink:ChemicalSubstance (-)-cis-sabinol Beilstein:6912099 phenio.json (1R,3R,5R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol http://purl.obolibrary.org/obo/CHEBI_18481 3_STAR
CHEBI:18504 biolink:ChemicalSubstance (1->3,1->4)-beta-D-glucan A beta-D-glucan of more than 20 D-glucose residues joined by beta-(1->3) and beta-(1->4) glycosidic linkages. phenio.json (1->3,1->4)-beta-D-glucans|beta-1,3-1,4-glucan http://purl.obolibrary.org/obo/CHEBI_18504 3_STAR
CHEBI:185095 biolink:ChemicalSubstance PS(O-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Chemspider:113376658|LIPID_MAPS_instance:LMGP03020093 phenio.json (2S)-2-amino-3-[[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-icosoxypropoxy]-hydroxyphosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_185095 2_STAR
CHEBI:185277 biolink:ChemicalSubstance 5-hydroperoxy-7-[3,5-epidioxy-2-(2-octenyl)-cyclopentyl]-6-heptenoic acid Chemspider:4445995|LIPID_MAPS_instance:LMFA01040028 phenio.json (6Z)-5-hydroperoxy-6-[6-[(E)-oct-2-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-ylidene]hexanoic acid http://purl.obolibrary.org/obo/CHEBI_185277 2_STAR
CHEBI:185613 biolink:ChemicalSubstance Sphingofungin B CAS:121025-45-4|Chemspider:4943512|Chemspider:8605863|LIPID_MAPS_instance:LMSP01080062 phenio.json (E,2S,3R,4R,5S)-2-amino-3,4,5,14-tetrahydroxyicos-6-enoic acid|(E,2S,3R,4R,5S,14R)-2-amino-3,4,5,14-tetrahydroxyicos-6-enoic acid http://purl.obolibrary.org/obo/CHEBI_185613 2_STAR
CHEBI:185704 biolink:ChemicalSubstance Trimidox CAS:95933-74-7|Chemspider:11633195|LINCS:LSM-5297 phenio.json N',3,4,5-tetrahydroxybenzenecarboximidamide http://purl.obolibrary.org/obo/CHEBI_185704 2_STAR
CHEBI:186021 biolink:ChemicalSubstance Liensinine CAS:2586-96-1|Chemspider:141157 phenio.json 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol http://purl.obolibrary.org/obo/CHEBI_186021 2_STAR
CHEBI:18608 biolink:ChemicalSubstance (6S)-5-methyltetrahydrofolate(2-) Beilstein:10132446|MetaCyc:5-METHYL-THF phenio.json (2S)-2-{[4-({[(6S)-2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]amino}pentanedioate|(6S)-5-methyl-5,6,7,8-tetrahydrofolate|(6S)-5-methyltetrahydrofolate http://purl.obolibrary.org/obo/CHEBI_18608 3_STAR
CHEBI:186090 biolink:ChemicalSubstance Limonexic acid Chemspider:4479081 phenio.json (1R,2R,7S,10R,13R,14R,16S,19R,20S)-19-(2-hydroxy-5-oxo-2H-uran-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.02,7.02,10.014,16.014,20]docosane-5,12,17-trione http://purl.obolibrary.org/obo/CHEBI_186090 2_STAR
CHEBI:186253 biolink:ChemicalSubstance Cardamonin CAS:19309-14-9|Chemspider:557026|DrugBank:DB14122|HMDB:HMDB0132913|LINCS:LSM-44652|LIPID_MAPS_instance:LMPK12120245 phenio.json (E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one http://purl.obolibrary.org/obo/CHEBI_186253 2_STAR
CHEBI:18634 biolink:ChemicalSubstance (L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde phenio.json http://purl.obolibrary.org/obo/CHEBI_18634 1_STAR
CHEBI:1864 biolink:ChemicalSubstance 4-hydroxycyclophosphamide A phosphorodiamide that consists of 2-amino-1,3,2-oxazaphosphinan-4-ol 2-oxide having two 2-chloroethyl groups attached to the exocyclic nitrogen. CAS:40277-05-2|KEGG:C07643|Reaxys:526395|Wikipedia:4-Hydroxycyclophosphamide phenio.json 2-[bis(2-chloroethyl)amino]-1,3,2-oxazaphosphinan-4-ol 2-oxide|4-Hydroxycyclophosphamide|Tetrahydro-2-(bis(2-chloroethyl)amino)-2H-1,3,2-oxazaphosphorin-4-ol 2-oxide http://purl.obolibrary.org/obo/CHEBI_1864 3_STAR
CHEBI:186604 biolink:ChemicalSubstance N-linolenoyl glutamine Chemspider:20128289|LIPID_MAPS_instance:LMFA08020213 phenio.json (2S)-5-amino-2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]-5-oxopentanoic acid http://purl.obolibrary.org/obo/CHEBI_186604 2_STAR
CHEBI:18697 biolink:ChemicalSubstance (R)-pantoic acid Beilstein:1722601|CAS:470-29-1|KEGG:C00522|KNApSAcK:C00007622|PDBeChem:PAF phenio.json (2R)-2,4-dihydroxy-3,3-dimethylbutanoic acid|Pantoate|Pantoic acid http://purl.obolibrary.org/obo/CHEBI_18697 3_STAR
CHEBI:18703 biolink:ChemicalSubstance D-pipecolate The D-enantiomer of pipecolate. Gmelin:533523 phenio.json (2R)-piperidine-2-carboxylate|(R)-pipecolate http://purl.obolibrary.org/obo/CHEBI_18703 3_STAR
CHEBI:18723 biolink:ChemicalSubstance nicotine A racemate composed of equimolar amounts of (R)- and (S)-nicotine. Beilstein:82111|CAS:22083-74-5|DrugBank:DB00184|HMDB:HMDB0014330|KEGG:C16150|KNApSAcK:C00002057|PMID:10751565|PMID:11192937|PMID:11471991|PMID:11559179|PMID:11682702|PMID:11714820|PMID:11719700|PMID:11801622|PMID:11818389|PMID:11860617|PMID:12197757|PMID:12700710|PMID:12965231|PMID:14715938|PMID:15183514|PMID:15251917|PMID:15313135|PMID:15458549|PMID:15707677|PMID:15894687|PMID:15960296|PMID:15961264|PMID:16496293|PMID:16950410|PMID:17167832|PMID:17206646|PMID:17438652|PMID:17498149|PMID:17942810|PMID:18077004|PMID:18311975|PMID:18380035|PMID:18383130|PMID:18651995|PMID:18922921|PMID:19100331|PMID:19287496|PMID:19389046|PMID:19465085|PMID:20338106|PMID:20528766|PMID:21636612|PMID:21822688|PMID:21945235|PMID:22129149|PMID:22218403|PMID:22331007|PMID:22377934|PMID:22448647|PMID:22459798|PMID:22529223|PMID:22573728|PMID:22585541|PMID:22589423|PMID:22770225|PMID:22792725|PMID:22855884|PMID:22930863|PMID:22935730|PMID:23108361|PMID:23117126|PMID:7097594|PMID:7564279|PMID:7566693|PMID:7807214|PMID:7896575|PMID:8156919|PMID:8545712|PMID:8764340|PMID:9203638|PMID:9450943|PMID:9621392|Reaxys:82108|UM-BBD_compID:c0468|Wikipedia:Nicotine phenio.json (+-)-3-(1-Methyl-2-pyrrolidinyl)pyridine|(+-)-nicotine|(R,S)-nicotine|(RS)-nicotine|nicotin|nikotin|rac-3-(1-methylpyrrolidin-2-yl)pyridine http://purl.obolibrary.org/obo/CHEBI_18723 3_STAR
CHEBI:187279 biolink:ChemicalSubstance PRIM-O-GLUCOSYLCIMIFUGIN Chemspider:24534049 phenio.json (2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydrouro[3,2-g]chromen-5-one http://purl.obolibrary.org/obo/CHEBI_187279 2_STAR
CHEBI:187431 biolink:ChemicalSubstance Ipurolic acid Chemspider:4446050|LIPID_MAPS_instance:LMFA01050081 phenio.json 3,11-dihydroxytetradecanoic acid http://purl.obolibrary.org/obo/CHEBI_187431 2_STAR
CHEBI:187612 biolink:ChemicalSubstance LY293111 CAS:161172-51-6|Chemspider:154905|DrugBank:DB12850|KEGG:D04074 phenio.json 2-[3-[3-[2-ethyl-4-(4-luorophenyl)-5-hydroxyphenoxy]propoxy]-2-propylphenoxy]benzoic acid http://purl.obolibrary.org/obo/CHEBI_187612 2_STAR
CHEBI:187892 biolink:ChemicalSubstance benzamidine(1+) A carboxamidinium ion obtained by protonation of the amidino group of benzamidine. Major species at pH 7.3. phenio.json benzamidine|benzamidinium http://purl.obolibrary.org/obo/CHEBI_187892 2_STAR
CHEBI:187893 biolink:ChemicalSubstance baclofen zwitterion An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of baclofen. phenio.json baclofen http://purl.obolibrary.org/obo/CHEBI_187893 2_STAR
CHEBI:187896 biolink:ChemicalSubstance tacrine(1+) phenio.json tacrine http://purl.obolibrary.org/obo/CHEBI_187896 2_STAR
CHEBI:1879 biolink:ChemicalSubstance 2-(4-hydroxyphenyl)ethanol A phenol substituted at position 4 by a 2-hydroxyethyl group. CAS:501-94-0|Chemspider:9964|FooDB:FDB012695|HMDB:HMDB0004284|KEGG:C06044|KNApSAcK:C00029515|PDBeChem:YRL|PMID:21162532|PMID:21381678|PMID:22824366|PMID:25074014|Reaxys:1859884|Wikipedia:Tyrosol phenio.json 4-(2-hydroxyethyl)phenol|4-Hydroxybenzeneethanol|4-Hydroxyphenylethanol|Tyrosol|p-Hydroxyphenethyl alcohol|tyrosol http://purl.obolibrary.org/obo/CHEBI_1879 3_STAR
CHEBI:18790 biolink:ChemicalSubstance (S)-mevalonate The (S)-enantiomer of mevalonate. Beilstein:6191681|KEGG:C02104|MetaCyc:CPD-350|PMID:29392731|PMID:34687147 phenio.json (3S)-3,5-dihydroxy-3-methylpentanoate|(3S)-3,5-dihydroxy-3-methylvalerate|(3S)-mevalonate|(S)-3,5-dihydroxy-3-methylpentanoate|(S)-3,5-dihydroxy-3-methylvalerate|(S)-mevalonic acid anion|(S)-mevalonic acid(1-)|L-mevalonate http://purl.obolibrary.org/obo/CHEBI_18790 3_STAR
CHEBI:188074 biolink:ChemicalSubstance rosiglitazone(1-) phenio.json rosiglitazone http://purl.obolibrary.org/obo/CHEBI_188074 2_STAR
CHEBI:188145 biolink:ChemicalSubstance (2R,3R)-nemonapride(1+) phenio.json (2R,3R)-nemonapride http://purl.obolibrary.org/obo/CHEBI_188145 2_STAR
CHEBI:188147 biolink:ChemicalSubstance urea herbicide Any herbicide composed of urea or substituted urea substructure. phenio.json substituted urea herbicide|substituted urea herbicides|urea herbicides http://purl.obolibrary.org/obo/CHEBI_188147 3_STAR
CHEBI:188157 biolink:ChemicalSubstance (S)-timolol(1+) PDBeChem:TIM phenio.json (S)-timolol http://purl.obolibrary.org/obo/CHEBI_188157 2_STAR
CHEBI:188347 biolink:ChemicalSubstance N-methylthiourea A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a methyl group. CAS:598-52-7|Chemspider:2005903|PMID:10725113|PMID:15997371|PMID:16136239|PMID:18464928|PMID:23256569|PMID:23264945|PMID:23873066|PMID:24312826|PMID:24477281|PMID:2568740|PMID:3087930|PMID:3087931|PMID:31093638|PMID:32326038|PMID:33562907|PMID:34788025|PMID:3921689|PMID:6810507|Reaxys:506162 phenio.json 1-methyl-2-thiourea|1-methylthiocarbamide|1-methylthiourea|N-methyl-2-thiourea|N-methylthiocarbamide|N-methylthiourea|methyl thiourea|methyl-2-thiourea|methylthiocarbamide|methylthiourea|monomethylthiourea http://purl.obolibrary.org/obo/CHEBI_188347 3_STAR
CHEBI:188348 biolink:ChemicalSubstance 7-methyloctan-1-ol A primary alcohol that is octane which is substituted by a methyl group at position 7 and a hydroxy group at position 1. It is a fragrance ingredient. CAS:2430-22-0|Chemspider:16158|PMID:20659642|PMID:27315375|PMID:27551504|PMID:31615683|PMID:33797572|PMID:9216748|Reaxys:1733654 phenio.json 7-methyl-1-octanol|7-methyloctan-1-ol|7-methyloctanol|Isononanol|isononyl alcohol http://purl.obolibrary.org/obo/CHEBI_188348 3_STAR
CHEBI:188349 biolink:ChemicalSubstance N-ethylthiourea A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by an ethyl group. CAS:625-53-6|Chemspider:2297335|HMDB:HMDB0252087|PMID:12444606|PMID:12511092|PMID:16599434|PMID:18961514|PMID:1901311|PMID:20422096|PMID:28850075|PMID:31322358|Reaxys:1699551 phenio.json 1-ethyl-2-thiourea|1-ethylthiourea|N-ethylthiocarbamide|N-ethylthiourea|ethyl thiourea|ethyl-2-thiourea|ethylthiourea http://purl.obolibrary.org/obo/CHEBI_188349 3_STAR
CHEBI:188350 biolink:ChemicalSubstance N-acetylthiourea A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by an acetyl group. CAS:591-08-2|Chemspider:2005797|PMID:16480299|PMID:18962206|PMID:22619575|PMID:2481120|Reaxys:969960 phenio.json 1-acetyl-2-thiourea|1-acetylthiourea|1-ethanoylthiourea|N-(aminothioxomethyl)acetamide|N-acetyl-2-thiourea|N-acetylthiocarbamide|N-acetylthiourea|N-carbamothioylacetamide|acetothiourea|acetyl thiourea|acetylthiocarbamide|acetylthiourea http://purl.obolibrary.org/obo/CHEBI_188350 3_STAR
CHEBI:188351 biolink:ChemicalSubstance octane-1-thiol An alkanethiol that is octane substituted by a thiol group at position 1. CAS:111-88-6|Chemspider:7852|HMDB:HMDB0243979|PMID:10517148|PMID:17252789|PMID:17719597|PMID:18211108|PMID:19778022|PMID:20714578|PMID:22849140|PMID:23519474|PMID:23545324|PMID:30625535|PMID:31408346|PMID:32375074|PMID:33561741|PMID:33625852|PMID:34037376|PMID:34182040|PMID:34198766|PMID:35193051|Reaxys:1733101|Wikipedia:1-Octanethiol phenio.json 1-mercaptooctane|1-octanethiol|1-octyl mercaptan|1-octylmercaptan|1-octylthiol|mercaptan C8|n-octanethiol|n-octanethiolate|n-octyl mercaptan|n-octylmercaptan|n-octylthiol|octane-1-thiol|octyl mercaptan|octylmercaptan|octylthiol http://purl.obolibrary.org/obo/CHEBI_188351 3_STAR
CHEBI:188358 biolink:ChemicalSubstance (S)-2-benzylsuccinate phenio.json (S)-2-benzylsuccinate http://purl.obolibrary.org/obo/CHEBI_188358 2_STAR
CHEBI:188470 biolink:ChemicalSubstance N(6)-methyl,N(6)-L-threonylcarbamoyladenosine 5'-phosphate(2-) residue Major microspecies at pH 7.3 phenio.json N(6)-methyl,N(6)-L-threonylcarbamoyladenosine 5'-phosphate residue http://purl.obolibrary.org/obo/CHEBI_188470 2_STAR
CHEBI:188567 biolink:ChemicalSubstance Belnacasan CAS:273404-37-8|Chemspider:9572992|KEGG:D10416 phenio.json (2S)-1-[(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-[(2R,3S)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide http://purl.obolibrary.org/obo/CHEBI_188567 2_STAR
CHEBI:18859 biolink:ChemicalSubstance 1,2,3-tribromopropane Beilstein:1732082|CAS:96-11-7|Gmelin:101184|UM-BBD_compID:c0622 phenio.json 1,2,3-tribromopropane|glycerol tribromohydrin|glyceryl tribromohydrin|s-tribromopropane|sym-tribromopropane http://purl.obolibrary.org/obo/CHEBI_18859 3_STAR
CHEBI:188602 biolink:ChemicalSubstance Seletracetam CAS:357336-74-4|Chemspider:8118337|DrugBank:DB05885|KEGG:D05817 phenio.json (2S)-2-[(4S)-4-(2,2-diluoroethenyl)-2-oxopyrrolidin-1-yl]butanamide http://purl.obolibrary.org/obo/CHEBI_188602 2_STAR
CHEBI:188708 biolink:ChemicalSubstance Methyl Arachidonyl Fluorophosphonate Chemspider:8604682 phenio.json (5Z,8Z,11Z,14Z)-1-[luoro(methoxy)phosphoryl]icosa-5,8,11,14-tetraene http://purl.obolibrary.org/obo/CHEBI_188708 2_STAR
CHEBI:188719 biolink:ChemicalSubstance Ertugliflozin CAS:1210344-57-2|Chemspider:26340533|DrugBank:DB11827|Drug_Central:5270|KEGG:D10313 phenio.json (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol http://purl.obolibrary.org/obo/CHEBI_188719 2_STAR
CHEBI:188730 biolink:ChemicalSubstance ifetroban CAS:143443-90-7|Chemspider:16736637|DrugBank:DB12321 phenio.json 3-[2-[[(1S,2R,3S,4R)-3-[4-(pentylcarbamoyl)-1,3-oxazol-2-yl]-7-oxabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]propanoic acid http://purl.obolibrary.org/obo/CHEBI_188730 2_STAR
CHEBI:188772 biolink:ChemicalSubstance Sophoricoside CAS:152-95-4|Chemspider:4479150 phenio.json 5,7-dihydroxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one http://purl.obolibrary.org/obo/CHEBI_188772 2_STAR
CHEBI:18882 biolink:ChemicalSubstance 1,2-dichloroethene Beilstein:1719345|CAS:540-59-0|Gmelin:100732 phenio.json 1,2-Dichloraethen|1,2-dichloroethene|1,2-dichloroethylene|acetylene dichloride http://purl.obolibrary.org/obo/CHEBI_18882 3_STAR
CHEBI:188851 biolink:ChemicalSubstance Muraglitazar CAS:331741-94-7|Chemspider:178524|DrugBank:DB06510|KEGG:D05091 phenio.json 2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid http://purl.obolibrary.org/obo/CHEBI_188851 2_STAR
CHEBI:18887 biolink:ChemicalSubstance cyclohexa-3,5-diene-1,2-diol Beilstein:3233703 phenio.json 1,2-dihydrobenzene-1,2-diol|cyclohexa-3,5-diene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_18887 3_STAR
CHEBI:188870 biolink:ChemicalSubstance Idoxifene CAS:116057-75-1|Chemspider:2298565|KEGG:D04496 phenio.json 1-[2-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine http://purl.obolibrary.org/obo/CHEBI_188870 2_STAR
CHEBI:188921 biolink:ChemicalSubstance C28-steroid MetaCyc:C28-Steroids|PMID:16460510 phenio.json a C28-steroid http://purl.obolibrary.org/obo/CHEBI_188921 2_STAR
CHEBI:188923 biolink:ChemicalSubstance C29-steroid MetaCyc:C29-Steroids|PMID:16460510 phenio.json a C29-steroid http://purl.obolibrary.org/obo/CHEBI_188923 2_STAR
CHEBI:18898 biolink:ChemicalSubstance 1,2-dinitroglycerol CAS:621-65-8|UM-BBD_compID:c0062 phenio.json 1,2,3-Propanetriol, 1,2-dinitrate|1,2-Dinitroglycerin|1,2-dinitroglycerol|3-hydroxypropane-1,2-diyl dinitrate|Glyceryl-1,2-dinitrate http://purl.obolibrary.org/obo/CHEBI_18898 3_STAR
CHEBI:188998 biolink:ChemicalSubstance alpha-D-xylulofuranose MetaCyc:CPD-24961 phenio.json alpha-D-xylulofuranose http://purl.obolibrary.org/obo/CHEBI_188998 2_STAR
CHEBI:188999 biolink:ChemicalSubstance dopaminechrome (enol form) A member of the class of indolones that is 3,5-dihydro-2H-indole substituted by an oxo group at position 5 and a hydroxy group at position 6. CAS:39984-17-3|PMID:34388859|PMID:8405659 phenio.json 2,3-dihydro-6-hydroxy-5H-indol-5-one|6-hydroxy-2,3-dihydro-5H-indol-5-one|6-hydroxy-2,3-dihydroindol-5-one|6-hydroxy-3,5-dihydro-2H-indol-5-one|aminochrome|aminochrome 1|dopaminochrome http://purl.obolibrary.org/obo/CHEBI_188999 3_STAR
CHEBI:189002 biolink:ChemicalSubstance dopaminechrome (keto form) A member of the class of indoledione that is 2,3,5,6-tetrahydro-1H-indole carrying oxo groups at positions 5 and 6; major microspecies at pH 7.3. It is an endogenous compound formed during dopamine oxidation and can induce neurotoxicity under certain aberrant conditions and induce Parkinson-like syndrome. CAS:67992-45-4|Chemspider:148871|HMDB:HMDB0248311|PMID:22528249|PMID:24434817|PMID:25403520|PMID:25634539|PMID:26345577|PMID:26695514|PMID:27001668|PMID:27020540|PMID:27168424|PMID:28285345|PMID:28392416|PMID:28478529|PMID:28586763|PMID:28763613|PMID:29588162|PMID:29593482|PMID:30203271|PMID:30343424|PMID:30355251|PMID:30983959|PMID:31321384|PMID:32588357|PMID:33510082|PMID:34388859|PMID:34988761|PMID:8405659 phenio.json 2,3,5,6-tetrahydro-1H-indole-5,6-dione|2,3-dihydro-1H-indole-5,6-dione|5,6-indolinedione|5.6-dihydroxyindoline quinone|aminochrome|dopaminechrome|indoline-5,6-dione http://purl.obolibrary.org/obo/CHEBI_189002 3_STAR
CHEBI:189047 biolink:ChemicalSubstance carbovir triphosphate(4-) An organophosphate oxoanion that is the tetraanion of carbovir triphosphate, arising from deprotonation of the four triphosphate OH groups; major species at pH 7.3. PMID:1703154 phenio.json (-)-carbovir 5'-triphosphate tetraanion|(-)-carbovir triphosphate tetraanion|({[(1S,4R)-4-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)cyclopent-2-en-1-yl]methylphosphonato}oxy)(phosphonatooxy)phosphinate|carbovir 5'-triphosphate tetraanion|carbovir triphosphate tetraanion http://purl.obolibrary.org/obo/CHEBI_189047 3_STAR
CHEBI:189052 biolink:ChemicalSubstance carbovir diphosphate(3-) An organophosphate oxoanion that is the trianion of carbovir diphosphate, arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. phenio.json (-)-carbovir 5'-diphosphate trianion|(-)-carbovir diphosphate trianion|({[(1S,4R)-4-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)cyclopent-2-en-1-yl]methylphosphonato}oxy)phosphonate|carbovir 5'-diphosphate trianion|carbovir diphosphate trianion http://purl.obolibrary.org/obo/CHEBI_189052 3_STAR
CHEBI:189053 biolink:ChemicalSubstance carbovir monophosphate(2-) An organophosphate oxoanion that is the dianion of carbovir monophosphate, arising from deprotonation of the monophosphate OH groups; major species at pH 7.3. phenio.json (-)-carbovir 5'-monophosphate dianion|(-)-carbovir 5'-phosphate dianion|(-)-carbovir monophosphate dianion|(-)-carbovir phosphate dianion|[(1S,4R)-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)cyclopent-2-en-1-yl]methyl phosphate|carbovir 5'-monophosphate dianion|carbovir 5'-phosphate dianion|carbovir phosphate dianion http://purl.obolibrary.org/obo/CHEBI_189053 3_STAR
CHEBI:189064 biolink:ChemicalSubstance phytochromobilin(2-) Dicarboxylate anion of phytochromobilin; major species at pH 7.3. phenio.json phytochromobilin http://purl.obolibrary.org/obo/CHEBI_189064 2_STAR
CHEBI:189091 biolink:ChemicalSubstance ribavirin 5'-monophosphate(2-) An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of ribavirin 5'-monophosphate. It is the major species at pH 7.3. phenio.json 1-(5-O-phosphonato-beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide http://purl.obolibrary.org/obo/CHEBI_189091 3_STAR
CHEBI:189092 biolink:ChemicalSubstance ribavirin 5'-diphosphate(3-) An organophosphate oxoanion resulting from the removal of the three diphosphate OH groups of ribavirin 5'-diphosphate. It is the major species at pH 7.3. phenio.json 1-{5-O-[(phosphonatooxy)phosphinato]-beta-D-ribofuranosyl}-1H-1,2,4-triazole-3-carboxamide http://purl.obolibrary.org/obo/CHEBI_189092 3_STAR
CHEBI:189093 biolink:ChemicalSubstance ribavirin 5'-triphosphate(4-) An organophosphate oxoanion resulting from the removal of the four triphosphate OH groups of ribavirin 5'-triphosphate. It is the major species at pH 7.3. phenio.json 1-[5-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-beta-D-ribofuranosyl]-1H-1,2,4-triazole-3-carboxamide http://purl.obolibrary.org/obo/CHEBI_189093 3_STAR
CHEBI:189095 biolink:ChemicalSubstance conidiogenone A diterpenoid with formula C20H32O2. It is isolated from Penicillium cyclopium and exhibits potent conidiation inducing activity. PMID:12455699|PMID:26937844|PMID:30343633|PMID:32502325 phenio.json (-)-conidiogenone|(1R,2R,4aR,6aS,6bR,9aR,10aR)-2-hydroxy-1,4a,7,7,9a-pentamethyldodecahydropentaleno[1,2-c]inden-4(1H)-one http://purl.obolibrary.org/obo/CHEBI_189095 3_STAR
CHEBI:189099 biolink:ChemicalSubstance 1D-myo-inositol 3,4,6-trisphosphate(6-) MetaCyc:CPD-6681|PMID:11909533 phenio.json 1D-myo-inositol 3,4,6-trisphosphate http://purl.obolibrary.org/obo/CHEBI_189099 2_STAR
CHEBI:189104 biolink:ChemicalSubstance Febantel CAS:58306-30-2|Chemspider:4514715|DrugBank:DB11409|KEGG:C75732|KEGG:D04135 phenio.json methyl N-[N'-[2-[(2-methoxyacetyl)amino]-4-phenylsulanylphenyl]-N-methoxycarbonylcarbamimidoyl]carbamate http://purl.obolibrary.org/obo/CHEBI_189104 2_STAR
CHEBI:18913 biolink:ChemicalSubstance (1->3)-alpha-D-mannooligosaccharide phenio.json (1->3)-alpha-D-mannooligosaccharides http://purl.obolibrary.org/obo/CHEBI_18913 3_STAR
CHEBI:18914 biolink:ChemicalSubstance beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-D-glucosaminyl group A group obtained by removing the hydroxy group from the hemiacetal function of beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-D-glucosamine. KEGG:C04850 phenio.json 1,3-beta-D-Galactosyl-(alpha-1,4-L-fucosyl)-N-acetyl-D-glucosaminyl-R|1,3-beta-D-galactosyl-(alpha-1,4-l-fucosyl)-N-acetyl-D-glucosaminyl group|6-deoxy-alpha-L-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucopyranosyl|alpha-L-fucopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-glucopyranosyl|beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl http://purl.obolibrary.org/obo/CHEBI_18914 3_STAR
CHEBI:18915 biolink:ChemicalSubstance beta-D-galactosyl-(1->3)-N-acetyl-D-glucosaminyl group A group obtained by removing the hydroxy group from the hemiacetal function of beta-D-galactosyl-(1->3)-N-acetyl-D-glucosamine. KEGG:C04656 phenio.json 1,3-beta-D-Galactosyl-N-acetyl-D-glucosaminyl-R|2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-glucopyranosyl|beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-D-glucopyranosyl|beta-D-galactosyl-(1->3)-N-acetyl-D-glucosaminyl http://purl.obolibrary.org/obo/CHEBI_18915 3_STAR
CHEBI:18918 biolink:ChemicalSubstance 1,3-dichloropropene A chloropropene with two chloro substituents at positions 1 and 3 respectively.. PMID:19259476|Pesticides:1,3-dichloropropene|Wikipedia:1,3-dichloropropene phenio.json http://purl.obolibrary.org/obo/CHEBI_18918 3_STAR
CHEBI:18946 biolink:ChemicalSubstance delta-lactone A lactone having a six-membered lactone ring. phenio.json 1,5-lactone|1,5-lactones|delta-lactona|delta-lactonas|delta-lactone|delta-lactones http://purl.obolibrary.org/obo/CHEBI_18946 3_STAR
CHEBI:189471 biolink:ChemicalSubstance Pseudolaric acid B Chemspider:24534088 phenio.json (2E,4E)-5-[(1S,7S,8S,9R)-7-acetyloxy-4-methoxycarbonyl-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-en-9-yl]-2-methylpenta-2,4-dienoic acid http://purl.obolibrary.org/obo/CHEBI_189471 2_STAR
CHEBI:189551 biolink:ChemicalSubstance ribavirin carboxylate A monocarboxylic acid anion that is the conjugate base of ribavirin carboxylic acid arising from the deprotonation of the carboxy group. Major species at pH 7.3. phenio.json 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-1,2,4-triazole-3-carboxylate|1-beta-D-ribofuranosyl-1H-1,2,4-triazole-3-carboxylate|ribavirin carboxylic acid anion|ribavirin carboxylic acid(1-) http://purl.obolibrary.org/obo/CHEBI_189551 3_STAR
CHEBI:189554 biolink:ChemicalSubstance S-[(2E,6E,10E)-geranylgeranyl]-L-cysteine zwitterion MetaCyc:CPD-20307|PMID:9287348 phenio.json [(2E,6E,10E)-geranylgeranyl]-L-cysteine http://purl.obolibrary.org/obo/CHEBI_189554 2_STAR
CHEBI:189572 biolink:ChemicalSubstance 2''-O-lipoyl-ADP-D-ribose(2-) PMID:25525879 phenio.json 2''-O-lipoyl-ADP-D-ribose http://purl.obolibrary.org/obo/CHEBI_189572 2_STAR
CHEBI:189573 biolink:ChemicalSubstance 2''-O-biotinyl-ADP-D-ribose(2-) PMID:25525879 phenio.json 2''-O-biotinyl-ADP-D-ribose http://purl.obolibrary.org/obo/CHEBI_189573 2_STAR
CHEBI:189642 biolink:ChemicalSubstance alpha-D-glucuronate A D-glucopyranuronate that has alpha configuration at the anomeric centre. phenio.json alpha-D-glucuronate http://purl.obolibrary.org/obo/CHEBI_189642 2_STAR
CHEBI:189666 biolink:ChemicalSubstance varespladib(1-) A dicarboxylic acid monoamide(1-) that is the conjugate base of varespladib resulting from the deprotonation of the carboxy group; major species at pH 7.3. PMID:33865953 phenio.json ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetate|varespladib|varespladib anion http://purl.obolibrary.org/obo/CHEBI_189666 3_STAR
CHEBI:189667 biolink:ChemicalSubstance 5-methyltetrahydrofolate(2-) A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 5-methyltetrahydrofolic acid; major species at pH 7.3. phenio.json (2S)-2-(4-{[(2-amino-5-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzamido)pentanedioate|5-methyltetrahydrofolic acid dianion|N-(5-methyl-5,6,7,8-tetrahydropteroyl)-L-glutamate(2-) http://purl.obolibrary.org/obo/CHEBI_189667 3_STAR
CHEBI:189668 biolink:ChemicalSubstance varespladib A member of the class of indoles that is 1H-indole substituted by benzyl, ethyl, oxamoyl, and carboxymethoxy groups at positions 1, 2, 3, and 4, respectively. It is an oral secretory phospholipase A2 inhibitor and exhibits anti-inflammatory effects. CAS:172732-68-2|Chemspider:137248|DrugBank:DB11909|HMDB:HMDB0259766|KEGG:D08107|PDBeChem:VRD|PMID:10027849|PMID:12626975|PMID:15467263|PMID:16096451|PMID:20809869|PMID:21446779|PMID:23071714|PMID:27571102|PMID:29439513|PMID:30447275|PMID:30453607|PMID:30518149|PMID:31748642|PMID:32093386|PMID:32442717|PMID:32485836|PMID:32512199|PMID:32560391|PMID:32889027|PMID:33359941|PMID:33865953|PMID:33922825|PMID:34143707|PMID:34562493|PMID:34744732|PMID:34774704|PMID:34929179|PMID:35095526|Patent:CN101838232|Wikipedia:Varespladib phenio.json ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid|2-[2-ethyl-3-oxamoyl-1-(phenylmethyl)indol-4-yl]oxyethanoic acid|2-[[3-(2-Amino-2-oxoacetyl)-2-ethyl-1-(phenylmethyl)-1H-indol-4-yl]oxy]acetic acid|A-001|LY 315920|LY-315920|LY315920|S 5920|S-5920|varespladib|varespladibum http://purl.obolibrary.org/obo/CHEBI_189668 3_STAR
CHEBI:189673 biolink:ChemicalSubstance 2''-O-hexadecanoyl-ADP-D-ribose(2-) phenio.json 2''-O-hexadecanoyl-ADP-D-ribose http://purl.obolibrary.org/obo/CHEBI_189673 2_STAR
CHEBI:189674 biolink:ChemicalSubstance 2''-O-tetradecanoyl-ADP-D-ribose(2-) phenio.json 2''-O-tetradecanoyl-ADP-D-ribose http://purl.obolibrary.org/obo/CHEBI_189674 2_STAR
CHEBI:189697 biolink:ChemicalSubstance (2Z,4E)-2-aminomuconic acid A 2-aminomuconic acid in which the two double bonds adopt a 2Z,4E-configuration. Chemspider:4573610 phenio.json (2Z,4E)-2-amino-2,4-hexadienedioic acid|(2Z,4E)-2-aminohexa-2,4-dienedioic acid|cis,trans-2-aminomuconic acid http://purl.obolibrary.org/obo/CHEBI_189697 3_STAR
CHEBI:189700 biolink:ChemicalSubstance 2-aminomuconate A polyunsaturated dicarboxylic acid dianion arising from the deprotonation of the two carboxy groups of 2-aminomuconic acid. phenio.json 2-aminohexa-2,4-dienedioate|2-aminomuconic acid dianion|alpha-aminomuconate http://purl.obolibrary.org/obo/CHEBI_189700 3_STAR
CHEBI:189750 biolink:ChemicalSubstance Ophthalmate Chemspider:5381694 phenio.json (2S)-2-azaniumyl-5-[[(2S)-1-(carboxylatomethylamino)-1-oxobutan-2-yl]amino]-5-oxopentanoate|ophthalmate http://purl.obolibrary.org/obo/CHEBI_189750 2_STAR
CHEBI:189823 biolink:ChemicalSubstance hydroperoxydocosapentaenoic acid phenio.json hydroperoxydocosapentaenoic acids http://purl.obolibrary.org/obo/CHEBI_189823 3_STAR
CHEBI:189831 biolink:ChemicalSubstance hydroperoxydocosahexaenoic acid phenio.json hydroperoxydocosahexaenoic acids http://purl.obolibrary.org/obo/CHEBI_189831 3_STAR
CHEBI:189832 biolink:ChemicalSubstance hydroperoxy polyunsaturated fatty acid Any polyunsaturated fatty acid carrying one or more hydroperoxy substituents. phenio.json hydroperoxy polyunsaturated fatty acids http://purl.obolibrary.org/obo/CHEBI_189832 3_STAR
CHEBI:189840 biolink:ChemicalSubstance dicarboxylic fatty acid Any fatty acid containing two carboxy groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_189840 2_STAR
CHEBI:189846 biolink:ChemicalSubstance dicarboxylic fatty acid dianion Any fatty acid that contains 2 carboxylic groups. Major microspecies at pH 7.3 phenio.json http://purl.obolibrary.org/obo/CHEBI_189846 2_STAR
CHEBI:189847 biolink:ChemicalSubstance phthiocerol derivatives A lipid derived from phthiocerol. phenio.json http://purl.obolibrary.org/obo/CHEBI_189847 2_STAR
CHEBI:189854 biolink:ChemicalSubstance N(6)-(fatty acyl)-L-lysine residue An L-alpha-amino acid residue derived from any N(6)-(fatty acyl)-L-lysine. phenio.json N(6)-(fatty acyl)-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_189854 2_STAR
CHEBI:189870 biolink:ChemicalSubstance Arg-Phe(1+) A peptide cation obtained by deprotonation of the carboxy terminus and protonation of the side-chain guanidino group and the amino terminus of Arg-Phe; major species at pH 7.3. PMID:35201898 phenio.json (2S)-2-{[(2S)-5-{[amino(iminio)methyl]amino}-2-azaniumylpentanoyl]amino}-3-phenylpropanoate|L-Arg-L-Phe(1+)|L-arginyl-L-phenylalanine|L-arginyl-L-phenylalanine cation|L-arginyl-L-phenylalanine(1+)|R-F(1+)|RF(1+)|arginylphenylalanine(1+) http://purl.obolibrary.org/obo/CHEBI_189870 3_STAR
CHEBI:190006 biolink:ChemicalSubstance (S)-tianeptine The S-enantiomer of tianeptine. PMID:9175617 phenio.json 7-{[(11S)-3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl]amino}heptanoic acid http://purl.obolibrary.org/obo/CHEBI_190006 3_STAR
CHEBI:190007 biolink:ChemicalSubstance (R)-tianeptine The R-enantiomer of tianeptine. PMID:9175617 phenio.json 7-{[(11R)-3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl]amino}heptanoic acid http://purl.obolibrary.org/obo/CHEBI_190007 3_STAR
CHEBI:190008 biolink:ChemicalSubstance 7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid A member of the class of dibenzothiazepines that is 3-chloro-6-methyl-6,11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide substituted by a (6-carboxyhexyl)amino group at position 11. phenio.json 7-[(3-chloro-6,11-dihydro-6-methyl-5,5-dioxidodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid|7-[(3-chloro-6-methyl-5,5-dioxido-6,11-dihydrodibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid|7-[(3-chloro-6-methyl-5,5-dioxo-6,11-dihydro-5H-5lambda(6)-dibenzo[c,f][1,2]thiazepin-11-yl)amino]heptanoic acid http://purl.obolibrary.org/obo/CHEBI_190008 3_STAR
CHEBI:190012 biolink:ChemicalSubstance 3-(alpha-D-6-sulfoquinovosyl)-sn-glycerol(1-) PMID:35074914 phenio.json 3-(6-sulfo-alpha-D-quinovosyl)glycerol|SQGro http://purl.obolibrary.org/obo/CHEBI_190012 2_STAR
CHEBI:190135 biolink:ChemicalSubstance di-mu-sulfido-diiron phenio.json [2Fe-2S] cluster http://purl.obolibrary.org/obo/CHEBI_190135 3_STAR
CHEBI:190214 biolink:ChemicalSubstance SM(d32:1) phenio.json [(2S,3R)-3-hydroxy-2-(tetradecanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_190214 2_STAR
CHEBI:190231 biolink:ChemicalSubstance SM(d41:1) phenio.json [(2S,3R)-3-hydroxy-2-(tricosanoylamino)octadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_190231 2_STAR
CHEBI:190281 biolink:ChemicalSubstance Alamandine Chemspider:62956427|KEGG:C20971 phenio.json (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_190281 2_STAR
CHEBI:190288 biolink:ChemicalSubstance hispidin(1-) An organic anion that is the conjugate base of hispidin resulting from the deprotonation of the 4-hydroxy group; major species at pH 7.3. MetaCyc:CPD-6989|PMID:30478037 phenio.json 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-oxo-2H-pyran-4-olate|hispidin|hispidin anion http://purl.obolibrary.org/obo/CHEBI_190288 3_STAR
CHEBI:19029 biolink:ChemicalSubstance 1-aminopropan-2-yl phosphate phenio.json 1-aminopropan-2-ol O-phosphate|1-aminopropan-2-yl dihydrogen phosphate|2-amino-1-methylethyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_19029 3_STAR
CHEBI:190295 biolink:ChemicalSubstance inorganic calcium salt A calcium salt that lacks C-H bonds PMID:28457049 phenio.json http://purl.obolibrary.org/obo/CHEBI_190295 2_STAR
CHEBI:190297 biolink:ChemicalSubstance inorganic magnesium salt A magnesium salt that lacks C-H bonds PMID:16548135 phenio.json http://purl.obolibrary.org/obo/CHEBI_190297 2_STAR
CHEBI:190299 biolink:ChemicalSubstance organic magnesium salt A magnesium salt with C-H bonds phenio.json http://purl.obolibrary.org/obo/CHEBI_190299 2_STAR
CHEBI:19030 biolink:ChemicalSubstance 1-aminopropan-2-ol Any amino alcohol that is propan-2-ol substituted by an amino group at position 1. CAS:78-96-6|ECMDB:ECMDB04013|HMDB:HMDB0012136|KEGG:C05771|PMID:4362743|PMID:5329339|Reaxys:605275|Wikipedia:1-Amino-2-propanol phenio.json 1-aminopropan-2-ol|1-methyl-2-aminoethanol|2-hydroxypropylamine|alpha-aminoisopropyl alcohol|isopropanolamine|monoisopropanolamine http://purl.obolibrary.org/obo/CHEBI_19030 3_STAR
CHEBI:190300 biolink:ChemicalSubstance inorganic phosphate salt A phosphate salt that lacks C-H bonds PMID:11434984 phenio.json http://purl.obolibrary.org/obo/CHEBI_190300 2_STAR
CHEBI:190303 biolink:ChemicalSubstance inorganic potassium salt A potassium salt that lacks C-H bonds phenio.json http://purl.obolibrary.org/obo/CHEBI_190303 2_STAR
CHEBI:190378 biolink:ChemicalSubstance Leucyl-Asparagine Chemspider:3341296|HMDB:HMDB0028924 phenio.json 4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoic acid http://purl.obolibrary.org/obo/CHEBI_190378 2_STAR
CHEBI:190432 biolink:ChemicalSubstance inorganic aluminium salt A aluminium salt that lacks C-H bonds phenio.json http://purl.obolibrary.org/obo/CHEBI_190432 2_STAR
CHEBI:190438 biolink:ChemicalSubstance inorganic barium salt A barium salt that lacks C-H bonds phenio.json http://purl.obolibrary.org/obo/CHEBI_190438 2_STAR
CHEBI:190463 biolink:ChemicalSubstance ergotamine(1+) A tertiary ammonium ion that is conjugate acid of ergotamine resulting from the protonation of the tertiary amino group; major species at pH 7.3. MetaCyc:CPD-12363 phenio.json 8beta-{[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]carbamoyl}-6-methyl-9,10-didehydroergolin-6-ium|ergotamine|ergotamine cation http://purl.obolibrary.org/obo/CHEBI_190463 3_STAR
CHEBI:190509 biolink:ChemicalSubstance imipenem zwitterion Zwitterionic form of imipenem having an anionic carboxy group and a protonated methaneimidamido group; major species at pH 7.3. phenio.json (5R,6S)-6-[(1R)-1-hydroxyethyl]-3-({2-[(iminiomethyl)amino]ethyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate|imipenem http://purl.obolibrary.org/obo/CHEBI_190509 3_STAR
CHEBI:190523 biolink:ChemicalSubstance fructooligosaccharide carbohydrate-based polymers derived from natural sources that can be utilized by certain gastrointestinal tract bacteria but not by the host animal PDBeChem:138392202|PMID:25717086 phenio.json Fructo-oligosaccharide DP12/GF11 http://purl.obolibrary.org/obo/CHEBI_190523 2_STAR
CHEBI:190529 biolink:ChemicalSubstance phosphatidylinositol 34:0 A 1-phosphatidyl-1D-myo-inositol in which the two acyl groups contain a total of 34 carbon atoms and no double bonds. phenio.json PI 34:0|PI(34:0)|phosphatidylinositol(34:0) http://purl.obolibrary.org/obo/CHEBI_190529 2_STAR
CHEBI:19062 biolink:ChemicalSubstance 1-methylguanosine Guanosine substituted with a methyl group at position N-1. CAS:2140-65-0|HMDB:HMDB0001563|MetaCyc:CPD0-1043|PMID:22770225|PMID:2471265|PMID:6477620|PMID:7592438|Reaxys:1226983|Reaxys:570907 phenio.json 1-methylguanosine|2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-methyl-1,9-dihydro-6H-purin-6-one|N1-Methylguanosine|m1g http://purl.obolibrary.org/obo/CHEBI_19062 3_STAR
CHEBI:190692 biolink:ChemicalSubstance substance P(3+) A peptide cation obtained from the protonation of the amino and guanidino groups of substance P; major species at pH 7.3. phenio.json 1-[(2S)-5-{[amino(iminio)methyl]amino}-2-azaniumylpentanoyl]-L-prolyl-6-azaniumyl-L-norleucyl-L-prolyl-L-glutaminyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-methioninamide|L-Arg-L-Pro-L-Lys-L-Pro-L-Gln-L-Gln-L-Phe-L-Phe-Gly-L-Leu-L-Met-NH2(3+)|RPKPQQFFGLM-NH2(3+)|RPKPQQFFGLM-amide(3+)|substance P|substance P trication http://purl.obolibrary.org/obo/CHEBI_190692 3_STAR
CHEBI:190701 biolink:ChemicalSubstance goralatide(1-) A peptide anion obtained by removal of protons from the two carboxy groups as well as protonation of the primary amino group of goralatide; major species at pH 7.3. PMID:7876104 phenio.json (2S)-1-(N-{(2S)-2-[(N-acetyl-L-seryl)amino]-3-carboxylatopropanoyl}-6-azaniumyl-L-norleucyl)pyrrolidine-2-carboxylate|Ac-SDKP(1-)|Ac-Ser-Asp-Lys-Pro(1-)|AcSDKP(1-)|N-acetyl-L-Ser-L-Asp-L-Lys-L-Pro(1-)|N-acetyl-L-seryl-L-alpha-aspartyl-L-lysyl-L-proline(1-)|N-acetyl-L-seryl-L-aspartyl-L-lysyl-L-proline(1-)|N-acetyl-Ser-Asp-Lys-Pro(1-)|goralatide|seraspenide(1-) http://purl.obolibrary.org/obo/CHEBI_190701 3_STAR
CHEBI:190711 biolink:ChemicalSubstance epoxy fatty acid anion An epoxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of any epoxy fatty acid. phenio.json epoxy fatty acid anions|epoxy fatty acid(1-)|epoxy-FA anion|epoxy-FA(1-)|fatty acid epoxide anion|fatty acid epoxide anions http://purl.obolibrary.org/obo/CHEBI_190711 3_STAR
CHEBI:190712 biolink:ChemicalSubstance epoxy monocarboxylic acid anion Any monocarboxylic acid anion containing at least one epoxy group. phenio.json epoxy monocarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_190712 3_STAR
CHEBI:190744 biolink:ChemicalSubstance dihydrodemethylsterigmatocystin An organic heteropentacyclic compound that is sterigmatocystin in which the methoxy group at position 6 is replaced by a hydroxy group. CAS:30517-66-9|Chemspider:20129490|KEGG:C20444|MetaCyc:CPD-4586|PMID:10543813|PMID:10806361|PMID:16349476|PMID:2802602 phenio.json (3S,7R)-11,15-dihydroxy-6,8,20-trioxapentacyclo[10.8.0.0(2,9).0(3,7).0(14,19)]icosa-1(12),2(9),10,14,16,18-hexaen-13-one|(3aR,12cS)-1,2,3a,12c-tetrahydro-6,8-dihydroxy-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one|(3aR,12cS)-6,8-dihydroxy-1,2,3a,12c-tetrahydro-7H-furo[3',2':4,5]furo[2,3-c]xanthen-7-one|DHDMST|demethyldihydrosterigmatocystin|dihydro-6-demethylsterigmatocystin http://purl.obolibrary.org/obo/CHEBI_190744 3_STAR
CHEBI:19092 biolink:ChemicalSubstance 1-pyrroline Beilstein:103165|CAS:5724-81-2|Gmelin:485825|KEGG:C15668 phenio.json 1-pyrroline|3,4-Dihydro-2H-pyrrole|3,4-dihydro-2H-pyrrole|Delta(1)-pyrroline http://purl.obolibrary.org/obo/CHEBI_19092 3_STAR
CHEBI:190973 biolink:ChemicalSubstance 2''-galloylhyperin CAS:53209-27-1|Chemspider:4955742 phenio.json [(2S,3R,4S,5R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 3,4,5-trihydroxybenzoate http://purl.obolibrary.org/obo/CHEBI_190973 2_STAR
CHEBI:19098 biolink:ChemicalSubstance 1-pyrrolinecarboxylic acid phenio.json 1-pyrrolinecarboxylic acids http://purl.obolibrary.org/obo/CHEBI_19098 3_STAR
CHEBI:191001 biolink:ChemicalSubstance 5-nitroso-8-quinolinol CAS:3565-26-2|Chemspider:18030|KEGG:D94646|LINCS:LSM-2275 phenio.json 5-nitrosoquinolin-8-ol http://purl.obolibrary.org/obo/CHEBI_191001 2_STAR
CHEBI:191155 biolink:ChemicalSubstance Picroside ii Chemspider:2339083 phenio.json [2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate http://purl.obolibrary.org/obo/CHEBI_191155 2_STAR
CHEBI:191156 biolink:ChemicalSubstance Podocarpusflavone a CAS:22136-74-9|Chemspider:4478676 phenio.json 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-methoxyphenyl)chromen-4-one http://purl.obolibrary.org/obo/CHEBI_191156 2_STAR
CHEBI:191177 biolink:ChemicalSubstance Ser-Asp-Lys-Pro A tetrapeptide composed of L-serine, L-aspartic acid, L-lysine, and L-proline joined in sequence by peptide linkages. Chemspider:8401015|PMID:2374142 phenio.json H-Ser-Asp-Lys-Pro-OH|L-Ser-L-Asp-L-Lys-L-Pro|L-Ser-L-Asp-L-Lys-L-Pro-OH|L-seryl-L-alpha-aspartyl-L-lysyl-L-proline|S-D-K-P|SDKP http://purl.obolibrary.org/obo/CHEBI_191177 3_STAR
CHEBI:191178 biolink:ChemicalSubstance goralatide A tetrapeptide that is Ser-Asp-Lys-Pro in which the N-terminal amino group carries an acetyl group. It is selective inhibitor of primitive haematopoietic cell proliferation and exhibits anti-inflammatory, anti-fibrotic, and pro-angiogenic properties. CAS:120081-14-3|Chemspider:59343|HMDB:HMDB0062552|PMID:15256375|PMID:23351021|PMID:23833979|PMID:25331328|PMID:26048023|PMID:26324505|PMID:26350537|PMID:26656271|PMID:27577858|PMID:28075040|PMID:28245754|PMID:2915977|PMID:29269295|PMID:29620193|PMID:29684394|PMID:29722788|PMID:29990624|PMID:30403163|PMID:30826375|PMID:30900390|PMID:30949886|PMID:30972974|PMID:30998852|PMID:31290182|PMID:31387512|PMID:31997585|PMID:32352559|PMID:32435194|PMID:33135306|PMID:33694311|PMID:33948088|PMID:34347311|PMID:34508023|PMID:34576239|PMID:34608942|PMID:34921949|PMID:35101843|PMID:35255573 phenio.json Ac-SDKP|Ac-Ser-Asp-Lys-Pro|Ac-Ser-Asp-Lys-Pro-OH|AcSDKP|N-acetyl-L-Ser-L-Asp-L-Lys-L-Pro|N-acetyl-L-seryl-L-alpha-aspartyl-L-lysyl-L-proline|N-acetyl-Ser-Asp-Lys-Pro|N-acetyl-seryl-aspartyl-lysyl-proline|NAcSerAspLysPro|acetyl-N-Ser-Asp-Lys-Pro|acetyl-seryl-aspartyl-lysyl-proline|goralatida|goralatide|goralatidum|seraspenide http://purl.obolibrary.org/obo/CHEBI_191178 3_STAR
CHEBI:191197 biolink:ChemicalSubstance branched-chain keto acid An oxo carboxylic acid in which the parent hydrocarbon chain has one or more alkyl substituents. Derivatives formed from the first step in the metabolism of branched-chain amino acids and can provide important information on animal health and disease. PMCID:PMC8181598|PMID:23684523|PMID:29324714|PMID:31092703|PMID:31416902|PMID:31504096|PMID:32784821|PMID:32878988|PMID:33522397|PMID:34798641|PMID:35075301 phenio.json BCKA|BCKAs|branched-chain keto acids|branched-chain ketoacid|branched-chain ketoacids http://purl.obolibrary.org/obo/CHEBI_191197 3_STAR
CHEBI:191200 biolink:ChemicalSubstance medium-chain (3S)-hydroxy fatty acyl-CoA(4-) A (3S)-3-hydroxyacyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups of any medium-chain (3S)-hydroxy fatty acyl-CoA; major species at pH 7.3. phenio.json (3S)-medium-chain hydroxy fatty acyl-CoA(4-)|a medium-chain (3S)-3-hydroxyacyl-CoA http://purl.obolibrary.org/obo/CHEBI_191200 2_STAR
CHEBI:191201 biolink:ChemicalSubstance branched-chain keto acid anion An oxo carboxylic acid anion that is the conjugate base of branched-chain keto acid resulting from the deprotonation of the carboxy group. phenio.json BCKA anion|BCKA anions|branched-chain keto acid anions|branched-chain ketoacid anion|branched-chain ketoacid anions http://purl.obolibrary.org/obo/CHEBI_191201 3_STAR
CHEBI:191214 biolink:ChemicalSubstance dilevalol(1+) A secondary ammonium ion that is the conjugate acid of (R,R)-labetalol resulting from the protonation of the secondary amino group; major species at pH 7.3. phenio.json (2R)-N-[(2R)-2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]-4-phenylbutan-2-aminium|(R,R)-labetalol cation|(R,R)-labetalol(1+)|dilevalol cation http://purl.obolibrary.org/obo/CHEBI_191214 3_STAR
CHEBI:191220 biolink:ChemicalSubstance (2S)-methylsuccinate(2-) The dicarboxylate anion of (S)-methylsuccinic acid; major species at pH 7.3. phenio.json (2S)-methylsuccinate http://purl.obolibrary.org/obo/CHEBI_191220 2_STAR
CHEBI:19129 biolink:ChemicalSubstance 11alpha-hydroxy steroid phenio.json 11alpha-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_19129 3_STAR
CHEBI:19138 biolink:ChemicalSubstance 12-HETE A HETE that is icosa-5,8,10,14-tetraenoic acid substituted by a hydroxy group at position 12. It is a metabolite of arachidonic acid. HMDB:HMDB0006111|PMID:24685839|PMID:8207335 phenio.json 12-hydroxy-5,8,10,14-eicosatetraenoic acid|12-hydroxy-5,8,10,14-icosatetraenoic acid http://purl.obolibrary.org/obo/CHEBI_19138 3_STAR
CHEBI:191398 biolink:ChemicalSubstance N(tele)-(ADP-D-ribosyl)-L-histidyl(2-) residue An organic anionic group obtained by deprotonation of the diphosphate OH groups of N(tele)-(ADP-D-ribosyl)-L-histidyl residue; major microspeciess at pH 7.3. PMID:35393539 phenio.json N(tele)-(ADP-D-ribosyl)-L-histidyl residue http://purl.obolibrary.org/obo/CHEBI_191398 2_STAR
CHEBI:191408 biolink:ChemicalSubstance ADP-alpha-D-ribose An ADP-D-ribose with beta configuration at the anomeric centre. Chemspider:394252|DrugBank:DB02059|PDBeChem:AR6|PMID:11825615|PMID:19211509|PMID:20388721|PMID:22248391|PMID:26009185|PMID:28515263|PMID:32903769|PMID:33352458|PMID:7599921|PMID:8327504 phenio.json [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate|adenosine 5'-[3-(alpha-D-ribofuranos-5-O-yl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_191408 3_STAR
CHEBI:191503 biolink:ChemicalSubstance 4-Methoxy-1-naphthol CAS:84-85-5|Chemspider:59913|HMDB:HMDB0032727 phenio.json 4-methoxynaphthalen-1-ol http://purl.obolibrary.org/obo/CHEBI_191503 2_STAR
CHEBI:19168 biolink:ChemicalSubstance 17-oxo steroid Any oxo steroid carrying the oxo group at position 17. phenio.json 17-keto steroid|17-keto steroids|17-ketosteroid|17-ketosteroids|17-oxo steroids|17-oxosteroid|17-oxosteroids|a 17-oxo steroid http://purl.obolibrary.org/obo/CHEBI_19168 3_STAR
CHEBI:191853 biolink:ChemicalSubstance 8-{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}octanoic acid A cyclopentanone that is cyclopentane substituted by a 7-carboxyheptyl, (2Z)-pent-2-en-1-yl, and oxo groups at positions 1, 2, and 3, respectively. Chemspider:21377986|PMID:16963437 phenio.json 3-oxo-2-(2'-[Z]-pentenyl)cyclopentane-1-octanoic acid|3-oxo-2-(cis-2'-pentenyl)-cyclopentane-1-octanoic acid|8-[2-[(Z)-2-pentenyl]-3-oxocyclopentyl]octanoic acid|8-{3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}octanoic acid http://purl.obolibrary.org/obo/CHEBI_191853 3_STAR
CHEBI:191854 biolink:ChemicalSubstance arachidonyl-2'-chloroethylamide A fatty amide obtained by the formal condensation of arachidonic acid with 2-chloroethanamine. It is a potent agonist of the CB1 receptor (Ki = 1.4 nM) and also has a low affinity for the CB2 receptor (Ki = 3100 nM). CAS:220556-69-4|Chemspider:4470547|HMDB:HMDB0247891|PMID:10336536|PMID:12095655|PMID:15006899|PMID:15277316|PMID:15493300|PMID:16649551|PMID:16930590|PMID:18362599|PMID:19751793|PMID:25881484|PMID:25904357|PMID:26820679|PMID:27663280|PMID:28441341|PMID:28859122|PMID:30552944|PMID:30607903|PMID:32413434|PMID:33083022|PMID:33220269|PMID:34090883|PMID:35189809|Wikipedia:Arachidonyl-2'-chloroethylamide phenio.json (5Z,8Z,11Z,14Z)-N-(2-chloroethyl)-5,8,11,14-eicosatetraenamide|(5Z,8Z,11Z,14Z)-N-(2-chloroethyl)icosa-5,8,11,14-tetraenamide|ACEA|N-(2-chloroethyl)-5Z,8Z,11Z,14Z-eicosatetraenamide|arachidonyl-2-chloroethylamide http://purl.obolibrary.org/obo/CHEBI_191854 3_STAR
CHEBI:191855 biolink:ChemicalSubstance 8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoate An oxo monocarboxylic acid anion that is the conjugate base of 8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid resulting from the deprotonation of the carboxy group; major species at pH 7.3. MetaCyc:CPD-730 phenio.json (1S,2S)-OPC-8|(1S,2S)-OPC8 anion|8-[(1S,2S)-3-oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate|8-{(1S,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}octanoate|OPC-8:0(1-) http://purl.obolibrary.org/obo/CHEBI_191855 3_STAR
CHEBI:191856 biolink:ChemicalSubstance helioxanthin A furonaphthodioxole that is furo[3',4':6,7]naphtho[1,2-d][1,3]dioxol-7(9H)-one substituted by a 1,3-benzodioxol-5-yl group at posiiton 10. It is a inhibitor of HBV, HCV and HSV-1 viruses. CAS:18920-47-3|Chemspider:154166|KNApSAcK:C00007211|PMID:12392817|PMID:15658867|PMID:16004082|PMID:17488817|PMID:18249449|PMID:18789903|PMID:20061158|PMID:21107018|PMID:22497733|PMID:23465436|PMID:26047161|PMID:26464283|PMID:33668694|Patent:US6306899 phenio.json 10-(1,3-benzodioxol-5-yl)-9H-[2]benzofuro[6,5-g][1,3]benzodioxol-7-one|10-(1,3-benzodioxol-5-yl)furo[3',4':6,7]naphtho[1,2-d][1,3]dioxol-7(9H)-one|10-(2H-1,3-benzodioxol-5-yl)-2H-furo[3',4':6,7]naphtho[1,2-d][1,3]dioxol-7(9H)-one|HE-145 http://purl.obolibrary.org/obo/CHEBI_191856 3_STAR
CHEBI:191864 biolink:ChemicalSubstance cholesterol ester 16:0 phenio.json CE 16:0|CE(16:0) http://purl.obolibrary.org/obo/CHEBI_191864 2_STAR
CHEBI:191874 biolink:ChemicalSubstance fatty acid 26:0 A saturated fatty acid containing 26 carbons and 0 double bonds. phenio.json FA 26:0|FA(26:0) http://purl.obolibrary.org/obo/CHEBI_191874 3_STAR
CHEBI:191931 biolink:ChemicalSubstance dextran sulfate anion An organosulfate oxoanion resulting from the deprotonation of the sulfo groups of dextran sulfate; major species at pH 7.3. phenio.json dextran polysulfate anion|dextran sulfate polyanion|dextran sulphate anion http://purl.obolibrary.org/obo/CHEBI_191931 3_STAR
CHEBI:191939 biolink:ChemicalSubstance ponatinib(1+) A tertiary ammonium ion that is the conjugate acid of ponatinib resulting from the protonation of the piperazine nitrogen. Major microspecies at pH 7.3. phenio.json 4-{4-[3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamido]-2-(trifluoromethyl)benzyl}-1-methylpiperazin-1-ium|4-{[4-{3-[(imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methylbenzamido}-2-(trifluoromethyl)phenyl]methyl}-1-methylpiperazin-1-ium http://purl.obolibrary.org/obo/CHEBI_191939 3_STAR
CHEBI:19203 biolink:ChemicalSubstance 1H-pyrrole A tautomer of pyrrole that has the double bonds at positions 2 and 4. Beilstein:1159|CAS:109-97-7|Gmelin:1705|PMID:1556177|PMID:2917974 phenio.json 1-aza-2,4-cyclopentadiene|1H-pyrrole|Pyrrol|divinyleneimine|divinylenimine|imidole|monopyrrole|pyrrole http://purl.obolibrary.org/obo/CHEBI_19203 3_STAR
CHEBI:192089 biolink:ChemicalSubstance 3-methoxytyraminium A primary ammonium ion that is the conjugate acid of 3-methoxytyramine resulting from the protonation of the primary amino group; Major microspecies at pH 7.3. MetaCyc:CPD-7650|PMID:7082642|PMID:7703232 phenio.json 2-(4-hydroxy-3-methoxyphenyl)ethan-1-aminium|2-(4-hydroxy-3-methoxyphenyl)ethanaminium|3-MT(1+)|3-methoxy-p-tyraminium|3-methoxytyramine|3-methoxytyramine cation|3-methoxytyramine(1+) http://purl.obolibrary.org/obo/CHEBI_192089 3_STAR
CHEBI:1921 biolink:ChemicalSubstance 4-oxocyclohexanecarboxylic acid A 5-oxo monocarboxylic acid that is cyclohexanone in which one of the hydrogens at position 4 is substituted by a carboxylic acid group. CAS:874-61-3|KEGG:C03767|PMID:14767139|PMID:16789736|PMID:3292236|PMID:4831062|PMID:8281951|Reaxys:1635956 phenio.json 1-cyclohexanone-4-carboxylic acid|4-Ketocyclohexanecarboxylic acid|4-oxocyclohexanecarboxylic acid|cyclohexanone-4-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_1921 3_STAR
CHEBI:192164 biolink:ChemicalSubstance 7-Dehydrocholesterol 5,6-oxide CAS:95841-71-7|Chemspider:111932|LIPID_MAPS_instance:LMST03020672 phenio.json (1S,2R,5S,7S,9R,12R,15R,16R)-2,16-dimethyl-15-[(2R)-6-methylheptan-2-yl]-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-10-en-5-ol http://purl.obolibrary.org/obo/CHEBI_192164 2_STAR
CHEBI:19217 biolink:ChemicalSubstance 2',3'-cyclic purine nucleotide phenio.json 2',3'-cyclic purine nucleotides http://purl.obolibrary.org/obo/CHEBI_19217 3_STAR
CHEBI:192269 biolink:ChemicalSubstance CB1 receptor agonist A cannabinoid receptor agonist that binds to and activates type 1 cannabinoid receptors. Wikipedia:Cannabinoid_receptor_type_1 phenio.json CB1 receptor agonist|CB1 receptor agonists|CB1R agonist|CB1R agonists|cannabinoid receptor 1 agonist|cannabinoid receptor 1 agonists|cannabinoid receptor type 1 agonist|cannabinoid receptor type 1 agonists|type 1 cannabinoid receptor agonist|type 1 cannabinoid receptor agonists http://purl.obolibrary.org/obo/CHEBI_192269 3_STAR
CHEBI:19237 biolink:ChemicalSubstance 2'-deoxyadenosine 5'-phosphate phenio.json 2'-deoxyadenosine 5'-phosphates http://purl.obolibrary.org/obo/CHEBI_19237 3_STAR
CHEBI:192377 biolink:ChemicalSubstance 2,4-dihydroxypyrimidine-5-carboxylic acid A hydroxypyrimidine that is pyrimidine-2,4-diol carrying a carboxy group at position 5. CAS:23945-44-0 phenio.json 2,4-dihydroxy-5-pyrimidinecarboxylic acid|2,4-dihydroxypyrimidine-5-carboxylic acid|uracil-5-carboxylic acid (enol form) http://purl.obolibrary.org/obo/CHEBI_192377 3_STAR
CHEBI:19239 biolink:ChemicalSubstance 2'-deoxyadenosine phosphate phenio.json 2'-deoxyadenosine phosphates http://purl.obolibrary.org/obo/CHEBI_19239 3_STAR
CHEBI:192461 biolink:ChemicalSubstance toosendanin Chemspider:24534091 phenio.json [(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16R,19S,21R)-4-acetyloxy-6-(uran-3-yl)-12,16,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-21-yl] acetate http://purl.obolibrary.org/obo/CHEBI_192461 2_STAR
CHEBI:192484 biolink:ChemicalSubstance ciprofloxacin zwitterion A zwitterion formed from ciprofloxacin by transfer of a proton from the carboxy to the amino group; major species at pH 7.3. MetaCyc:CPD-12843|PMID:11202360|PMID:12084502|PMID:21368411|PMID:9303400 phenio.json 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-dihydroquinoline-3-carboxylate http://purl.obolibrary.org/obo/CHEBI_192484 3_STAR
CHEBI:192486 biolink:ChemicalSubstance ciprofloxacin(1+) A secondary ammonium ion that is the conjugate acid of ciprofloxacin resulting from the protonation of the NH group; major species at acidic pH. PMID:35371545 phenio.json 4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium|ciprofloxacin cation http://purl.obolibrary.org/obo/CHEBI_192486 3_STAR
CHEBI:192499 biolink:ChemicalSubstance anthoxanthin are a type of flavonoid pigments in plants. Anthoxanthins are water-soluble pigments which range in color from white or colorless to a creamy to yellow, often on petals of flowers. Wikipedia:https://en.wikipedia.org/wiki/Anthoxanthin phenio.json http://purl.obolibrary.org/obo/CHEBI_192499 2_STAR
CHEBI:192500 biolink:ChemicalSubstance flavanonol a class of flavonoids that use the 3-hydroxy-2,3-dihydro-2-phenylchromen-4-one (IUPAC name) backbone. Wikipedia:https://en.wikipedia.org/wiki/Flavanonol phenio.json http://purl.obolibrary.org/obo/CHEBI_192500 2_STAR
CHEBI:192504 biolink:ChemicalSubstance elicitor A chemical or biochemical compound that is introduced in small concentrations to a living system to promote the biosynthesis of the target bioactive compound. PMID:25969762|Wikipedia:Elicitor phenio.json elicitors http://purl.obolibrary.org/obo/CHEBI_192504 2_STAR
CHEBI:19252 biolink:ChemicalSubstance 2'-deoxyribonucleoside 3'-monophosphate phenio.json 2'-deoxyribonucleoside 3'-monophosphates http://purl.obolibrary.org/obo/CHEBI_19252 3_STAR
CHEBI:192527 biolink:ChemicalSubstance ochratoxin alpha(1-) Conjugate base of ochratoxin alpha; major species at pH 7.3. MetaCyc:CPD-22713 phenio.json ochratoxin alpha http://purl.obolibrary.org/obo/CHEBI_192527 2_STAR
CHEBI:192536 biolink:ChemicalSubstance cyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-beta-D-glucoside PMID:17425720 phenio.json anthocyanin A3 http://purl.obolibrary.org/obo/CHEBI_192536 2_STAR
CHEBI:192537 biolink:ChemicalSubstance cyanidin 3-O-[6-O-(p-coumaroyl)-2-O-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside)(1-) PMID:17425720 phenio.json anthocyanin A5 http://purl.obolibrary.org/obo/CHEBI_192537 2_STAR
CHEBI:19254 biolink:ChemicalSubstance purine 2'-deoxyribonucleoside A 2'-deoxyribonucleoside that has a purine moiety as the nucleobase (the R group in the illustration). phenio.json purine 2'-deoxyribonucleosides http://purl.obolibrary.org/obo/CHEBI_19254 3_STAR
CHEBI:192545 biolink:ChemicalSubstance LY 379268 An organic heterobicyclic compound that is (1R,5S)-2-oxabicyclo[3.1.0]hexane carrying amino, carboxy, and carboxy groups at positions 4R, 4R and 6R, respectively. It is a potent agonist of group II metabotropic glutamate receptors mGluR2 and mGluR3 (EC50 = 2.69 nM and 4.48 nM, respectively) that exhibits antipsychotic-like action in animal models of schizophrenia. CAS:191471-52-0|PMID:10090786|PMID:21139059|PMID:21477044|PMID:22659409|PMID:22820300|PMID:23593498|PMID:23624743|PMID:23769742|PMID:23827202|PMID:23948211|PMID:23953655|PMID:24631484|PMID:24859609|PMID:25063582|PMID:25158962|PMID:26044619|PMID:26149611|PMID:26241341|PMID:26317098|PMID:26861891|PMID:26955838|PMID:27394931|PMID:29462112|PMID:29562588|PMID:29858599|PMID:30909243|PMID:31306647|PMID:31536785|PMID:31580222|PMID:31705165|PMID:33763176|PMID:34330748|PMID:34416343|PMID:35772967|Wikipedia:LY-379,268 phenio.json (1R,4R,5S,6R)-4-amino-2-oxabicyclo[3.1.0]hexane-4,6-dicarboxylic acid|LY-379,268|LY-379268|LY379268 http://purl.obolibrary.org/obo/CHEBI_192545 3_STAR
CHEBI:19255 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleoside phenio.json pyrimidine 2'-deoxyribonucleosides http://purl.obolibrary.org/obo/CHEBI_19255 3_STAR
CHEBI:192560 biolink:ChemicalSubstance N(tele)-methyl-L-histidine zwitterion A L-histidine zwitterion in which the methyl group is at N(tele)-position; major microspecies at pH 7.3. PMID:35758414 phenio.json N(tele)-methyl-L-histidine http://purl.obolibrary.org/obo/CHEBI_192560 2_STAR
CHEBI:19257 biolink:ChemicalSubstance 2'-deoxyribonucleoside monophosphate phenio.json 2'-deoxyribonucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_19257 3_STAR
CHEBI:19260 biolink:ChemicalSubstance 2'-deoxyribonucleotide phenio.json 2'-deoxyribonucleotides http://purl.obolibrary.org/obo/CHEBI_19260 3_STAR
CHEBI:192700 biolink:ChemicalSubstance genkwanin(1-) Major species at pH 7.3 phenio.json genkwanin http://purl.obolibrary.org/obo/CHEBI_192700 2_STAR
CHEBI:192701 biolink:ChemicalSubstance scutellarein 7-methyl ether MetaCyc:CPD-15630 phenio.json scutellarein 7-methyl ether http://purl.obolibrary.org/obo/CHEBI_192701 2_STAR
CHEBI:192702 biolink:ChemicalSubstance ladanein A dimethoxyflavone that is scutellarein in which the hydroxy groups at positions 4' and 7 are replaced by methoxy groups. It is an effective anti-HCV agent. AGR:IND601124298|CAS:10176-71-3|KNApSAcK:C00003839|LIPID_MAPS_instance:LMPK12111165|MetaCyc:CPD-15632|PMID:11086900|PMID:12677524|PMID:17342612|PMID:17639984|PMID:19361824|PMID:19644796|PMID:20397728|PMID:21108116|PMID:22465429|PMID:24250614|PMID:25002815|PMID:26197515|PMID:26357892|PMID:26969331|PMID:31013747|PMID:31459671|PMID:31678632 phenio.json 4',7-dimethylscutellarein|5,6-dihydroxy-7,4'-dimethoxyflavone|5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5,6-dihydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-chromen-4-one|BJ486K|ladanein http://purl.obolibrary.org/obo/CHEBI_192702 3_STAR
CHEBI:192703 biolink:ChemicalSubstance salvigenin A trimethoxyflavone that is scutellarein in which the hydroxy groups at positions 4', 6, and 7 are replaced by methoxy groups. CAS:19103-54-9|FooDB:FDB006184|HMDB:HMDB0128577|KNApSAcK:C00003840|LIPID_MAPS_instance:LMPK12111166|MetaCyc:CPD-15477|PMID:12562087|PMID:22017660|PMID:22899171|PMID:24270218|PMID:25972379|PMID:26035635|PMID:26669105|PMID:28990868|PMID:29373904|PMID:31161797|PMID:32024626|PMID:32660058|PMID:33395575|PMID:33440186|PMID:33524860|PMID:33715562|PMID:34209510|PMID:34440504|PMID:34630118|PMID:34839965|PMID:34901489|PMID:35448815|PMID:35846999|PMID:840933 phenio.json 5-hydroxy-4',6,7-trimethoxyflavone|5-hydroxy-6,7,4'-trimethoxy-flavone|5-hydroxy-6,7,4'-trimethoxyflavone|5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one|5-hydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one|7-O-methylpectolinarigenin|psathyrotin|salvigenin http://purl.obolibrary.org/obo/CHEBI_192703 3_STAR
CHEBI:192706 biolink:ChemicalSubstance rhamnetin-3-olate Major species at pH 7.3 PMID:14697269 phenio.json 7-methylquercetin-3-olate|rhamnetin http://purl.obolibrary.org/obo/CHEBI_192706 2_STAR
CHEBI:192710 biolink:ChemicalSubstance SM-164 A potent cell-permeable and bivalent Smac mimetic which binds to XIAP, cIAP-1 and cIAP-2 proteins (Ki = 0.56 nM, 0.31 nM and 1.1 nM, respectively). It induces apoptosis and tumor regression in cancer xenograft models. CAS:957135-43-2|PMID:17999504|PMID:19010913|PMID:21282353|PMID:21372226|PMID:21462933|PMID:21901386|PMID:22148838|PMID:23142291|PMID:23240027|PMID:23699656|PMID:31059038|PMID:32332865|PMID:35525732 phenio.json (3S,6S,10aS)-6-{[(2S)-2-(methylamino)propanoyl]amino}-N-[(S)-(1-{4-[4-(4-{4-[(S)-({[(3S,6S,10aS)-6-{[(2S)-2-(methylamino)propanoyl]amino}-5-oxodecahydropyrrolo[1,2-a]azocin-3-yl]carbonyl}amino)(phenyl)methyl]-1H-1,2,3-triazol-1-yl}butyl)phenyl]butyl}-1H-1,2,3-triazol-4-yl)(phenyl)methyl]-5-oxodecahydropyrrolo[1,2-a]azocine-3-carboxamide|SM 164|SM164 http://purl.obolibrary.org/obo/CHEBI_192710 3_STAR
CHEBI:192714 biolink:ChemicalSubstance an N(4)-(oligosaccharide-(1->3)-[oligosaccharide-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc)-L-asparaginyl residue MetaCyc:High-Mannose-N-Glycans phenio.json an N(4)-(oligosaccharide-(1->3)-[oligosaccharide-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc)-L-asparaginyl residue http://purl.obolibrary.org/obo/CHEBI_192714 2_STAR
CHEBI:19274 biolink:ChemicalSubstance 2'-deoxymugineic acid Beilstein:5301911|Beilstein:5301912|CAS:74235-24-8|KEGG:C15485 phenio.json (2S)-1-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]azetidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_19274 3_STAR
CHEBI:192749 biolink:ChemicalSubstance diosmetin-7-olate A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of diosmetin; major microspecies at pH 7.3. phenio.json 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-olate|5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-olate|diosmetin http://purl.obolibrary.org/obo/CHEBI_192749 3_STAR
CHEBI:192768 biolink:ChemicalSubstance rhamnacene-3-olate A flavonol oxoanion that is the conjugate base of rhamnacene resulting from the deprotonation of the 3-hydroxy group; Major species at pH.7.3. phenio.json 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-1-benzopyran-3-olate|5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-4-oxo-4H-chromen-3-olate|rhamnacene http://purl.obolibrary.org/obo/CHEBI_192768 3_STAR
CHEBI:192773 biolink:ChemicalSubstance 3-oxociprofloxacin metabolite of ciprofloxacin CAS:103237-52-1|PMID:2549606|PMID:3790196 phenio.json http://purl.obolibrary.org/obo/CHEBI_192773 2_STAR
CHEBI:192797 biolink:ChemicalSubstance carcininium A primary ammonium ion obtained by protonation of the primary amino group of carcinine; major species at pH 7.3. PMID:25229196 phenio.json 3-{[2-(1H-imidazol-4-yl)ethyl]amino}-3-oxopropan-1-aminium|carcinine|carcinine cation|carcinine(1+) http://purl.obolibrary.org/obo/CHEBI_192797 3_STAR
CHEBI:192798 biolink:ChemicalSubstance sulfociprofloxacin An organosulfonic acid that is ciprofloxacin carrying a sulfo group at position 4 of the piperazine ring. It is a metabolite of ciprofloxacin. CAS:105093-21-8|HMDB:HMDB0242136|PMID:1937996|PMID:2612228|PMID:2731404|PMID:3292209|PMID:34624141|PMID:3758059|PMID:3790196 phenio.json 1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(4-sulfopiperazino)-3-quinolinecarboxylic acid|1-cyclopropyl-6-fluoro-4-oxo-7-(4-sulfopiperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid|BAY-s-9435|Bay s 9435|Bay-s 9435|ciprofloxacin piperazinyl-N(4)-sulfate|sulfo-ciprofloxacin http://purl.obolibrary.org/obo/CHEBI_192798 3_STAR
CHEBI:19281 biolink:ChemicalSubstance 2,2'-bithiophenes A ring assembly that consists of two thiophene rings connected by a single covalent bond. phenio.json http://purl.obolibrary.org/obo/CHEBI_19281 3_STAR
CHEBI:192815 biolink:ChemicalSubstance (2S)-carthamidin-7-methyl ether MetaCyc:CPD-15634|PMID:23184958 phenio.json (2S)-7-methylcarthamidin http://purl.obolibrary.org/obo/CHEBI_192815 2_STAR
CHEBI:192830 biolink:ChemicalSubstance (Z)-omega-(methylsulfanyl)alkyl desulfoglucosinolate A omega-(methylsulfanyl)alkyl desulfoglucosinolate in which the double bond adopts a Z-configuration. phenio.json (Z)-omega-(methylsulfanyl)alkyl desulfoglucosinolate|alpha-(methylsulfanyl)-omega-[(3Z)-3-(hydroxyimino)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]sulfanyl}propyl]polymethanediyl http://purl.obolibrary.org/obo/CHEBI_192830 3_STAR
CHEBI:192831 biolink:ChemicalSubstance (E,E)-piperate Major species at pH 7.3 PMID:33435446 phenio.json (E,E)-piperate http://purl.obolibrary.org/obo/CHEBI_192831 2_STAR
CHEBI:192842 biolink:ChemicalSubstance Methoxyamine CAS:67-62-9|Chemspider:3970 phenio.json O-methylhydroxylamine http://purl.obolibrary.org/obo/CHEBI_192842 2_STAR
CHEBI:192955 biolink:ChemicalSubstance Fluphenazine Sulfoxide CAS:1674-76-6|Chemspider:2300812 phenio.json 2-[4-[3-[5-oxo-2-(triluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol http://purl.obolibrary.org/obo/CHEBI_192955 2_STAR
CHEBI:192979 biolink:ChemicalSubstance nystatin A2 CAS:65086-32-0|PMID:15504830 phenio.json (1R,3S,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,7,9,11,17,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid|nystatin A2 http://purl.obolibrary.org/obo/CHEBI_192979 3_STAR
CHEBI:193017 biolink:ChemicalSubstance 6-Methoxyflavone CAS:26964-24-9|Chemspider:129764|KEGG:D81756|LIPID_MAPS_instance:LMPK12110100 phenio.json 6-methoxy-2-phenylchromen-4-one http://purl.obolibrary.org/obo/CHEBI_193017 2_STAR
CHEBI:193059 biolink:ChemicalSubstance psilocinium Conjugate acid of psilocin; major microspecies at pH 7.3. MetaCyc:CPD-20617|PMID:35583969 phenio.json psilocin http://purl.obolibrary.org/obo/CHEBI_193059 2_STAR
CHEBI:193068 biolink:ChemicalSubstance an L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A(6-) Major species at pH 7.3 MetaCyc:CPD-24513 phenio.json an L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A http://purl.obolibrary.org/obo/CHEBI_193068 2_STAR
CHEBI:193069 biolink:ChemicalSubstance an L-alpha-D-Hep-(1->3)-L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A(6-) Major species at pH 7.3 MetaCyc:CPD-24514 phenio.json an L-alpha-D-Hep-(1->3)-L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A http://purl.obolibrary.org/obo/CHEBI_193069 2_STAR
CHEBI:193072 biolink:ChemicalSubstance (-)-beta-barbatene MetaCyc:CPD-20169|PMID:31621716 phenio.json (-)-beta-barbatene http://purl.obolibrary.org/obo/CHEBI_193072 2_STAR
CHEBI:193089 biolink:ChemicalSubstance phenyl phosphate(2-) Major microspecies at pH 7.3. MetaCyc:PHENOL-PHOSPHATE phenio.json phenyl phosphate http://purl.obolibrary.org/obo/CHEBI_193089 2_STAR
CHEBI:193092 biolink:ChemicalSubstance O-phospho-3-sulfolactate(4-) A quadruply-charged carboxyalkyl phosphate oxoanion resulting from global deprotonation of O-phospho-3-sulfolactic acid; major microspecies at pH 7.3. MetaCyc:CPD-11803|PMID:36037354 phenio.json O-phospho-3-sulfolactate http://purl.obolibrary.org/obo/CHEBI_193092 2_STAR
CHEBI:193101 biolink:ChemicalSubstance petunidin(1-) Major microspecies at pH 7.3. PMID:35651780 phenio.json petunidin http://purl.obolibrary.org/obo/CHEBI_193101 2_STAR
CHEBI:193107 biolink:ChemicalSubstance N(6),N(6)-dimethyl-L-lysinium Major microspecies at pH 7.3. PMID:31885262 phenio.json N(6),N(6)-dimethyl-L-lysine http://purl.obolibrary.org/obo/CHEBI_193107 2_STAR
CHEBI:193111 biolink:ChemicalSubstance methylcarbamate The conjugate base of methylcarbamic acid; major microspecies at pH 7.3. MetaCyc:CPD-22706 phenio.json N-methyl carbamate|N-methylcarbamate|methylcarbamate http://purl.obolibrary.org/obo/CHEBI_193111 2_STAR
CHEBI:193124 biolink:ChemicalSubstance N,N-dimethyltryptaminium Major microspecies at pH 7.3 phenio.json N,N-dimethyltryptamine http://purl.obolibrary.org/obo/CHEBI_193124 2_STAR
CHEBI:193141 biolink:ChemicalSubstance a lipid A(4-) Major species at pH 7.3 PMID:11013210 phenio.json a lipid A http://purl.obolibrary.org/obo/CHEBI_193141 2_STAR
CHEBI:193149 biolink:ChemicalSubstance an acyl-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA(6-) Major species at pH 7.3 PMID:10092655|PMID:11830594 phenio.json an acyl-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA http://purl.obolibrary.org/obo/CHEBI_193149 2_STAR
CHEBI:193151 biolink:ChemicalSubstance D-isoleucine zwitterion An alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of D-isoleucine; major species at pH 7.3. PMID:23426681 phenio.json D-isoleucine http://purl.obolibrary.org/obo/CHEBI_193151 2_STAR
CHEBI:19324 biolink:ChemicalSubstance 2,3-bisphosphoglycerate phenio.json 2,3-bis(phosphonatooxy)propanoate|2,3-diphosphoglycerate http://purl.obolibrary.org/obo/CHEBI_19324 3_STAR
CHEBI:19331 biolink:ChemicalSubstance (2,4,5-trichlorophenoxy)acetate A chlorophenoxyacetate anion obtained by deprotonation of the carboxy group of (2,4,5-trichlorophenoxy)acetic acid. Gmelin:434053|MetaCyc:CPD-10896|UM-BBD_compID:c0361 phenio.json (2,4,5-trichlorophenoxy)acetate|2,4,5-trichlorophenoxyacetate http://purl.obolibrary.org/obo/CHEBI_19331 3_STAR
CHEBI:19333 biolink:ChemicalSubstance 2,4,6-trichloroanisole A monomethoxybenzene that is 1,3,5-trichlorobenzene in which one of the hydrogens is replaced by a methoxy group. CAS:87-40-1|KEGG:C11510 phenio.json 1,3,5-Trichloro-2-methoxybenzene|1,3,5-trichloro-2-methoxybenzene|2,4,6-trichloroanisole|Methyl 2,4,6-trichlorophenyl ether|Tyrene http://purl.obolibrary.org/obo/CHEBI_19333 3_STAR
CHEBI:193350 biolink:ChemicalSubstance ferulic acid A member of the class of ferulic acids that is cinnamic acid substituted by a methoxy and a hydroxy group at positions 3 and 4 of the phenyl ring. CAS:1135-24-6|Chemspider:689|KEGG:C01494|PMID:37615264|PMID:37752317|PMID:38604452|PMID:38887323|PMID:39280296 phenio.json 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid|3-(4-hydroxy-3-methoxyphenyl)acrylic acid|3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid|3-methoxy-4-hydroxycinnamic acid|4'-hydroxy-3'-methoxycinnamic acid|4-hydroxy-3-methoxycinnamic acid|coniferic acid|ferulaic acid http://purl.obolibrary.org/obo/CHEBI_193350 3_STAR
CHEBI:19351 biolink:ChemicalSubstance (2,4-dichlorophenoxy)acetate A chlorophenoxyacetate anion that is the conjugate base of (2,4-dichlorophenoxy)acetic acid, obtained by deprotonation of the carboxy group. Beilstein:3614847|Gmelin:330841|MetaCyc:CPD-9009|UM-BBD_compID:c0288 phenio.json (2,4-dichlorophenoxy)acetate|2,4-D|2,4-dichlorophenoxyacetate http://purl.obolibrary.org/obo/CHEBI_19351 3_STAR
CHEBI:193570 biolink:ChemicalSubstance 5(R)-HPETE(1-) PMID:23242647 phenio.json (5R)-hydroperoxy-(6E,8Z,11Z,14Z)-eicosatetraenoate|5(R)-HPETE anion http://purl.obolibrary.org/obo/CHEBI_193570 2_STAR
CHEBI:193571 biolink:ChemicalSubstance epi-leukotriene A4(1-) PMID:23242647 phenio.json (7E,9E,11Z,14Z)-(5R,6S)-5,6-epoxyicosa-7,9,11,14-tetraenoate(1-)|epi-LTA4 anion|epi-leukotriene A4 http://purl.obolibrary.org/obo/CHEBI_193571 2_STAR
CHEBI:193572 biolink:ChemicalSubstance protectin Docosanoids characterized by the presence of a conjugated system of double bonds. PMID:24172820 phenio.json http://purl.obolibrary.org/obo/CHEBI_193572 2_STAR
CHEBI:193574 biolink:ChemicalSubstance eoxin Oxylipins that derive from eicosanoids. PMID:19130894 phenio.json http://purl.obolibrary.org/obo/CHEBI_193574 2_STAR
CHEBI:193594 biolink:ChemicalSubstance 1-(Z)-alk-1-enyl-2-lyso-sn-glycerolipid A plasmalogen that has no fatty acyl chain at sn-2 and where the glycerolipid is not defined, R3 can be H or a phospholipid. PMID:10085103 phenio.json a 1-(1Z-alkenyl)-sn-glycerolipid|lysoplasmalogen http://purl.obolibrary.org/obo/CHEBI_193594 2_STAR
CHEBI:19391 biolink:ChemicalSubstance 2,6-dibromophenol A dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines. Beilstein:2043614|CAS:608-33-3|Gmelin:1006446|KEGG:C16247|UM-BBD_compID:c0533 phenio.json 2,6-dibromophenol http://purl.obolibrary.org/obo/CHEBI_19391 3_STAR
CHEBI:194019 biolink:ChemicalSubstance fumagillin(1-) Major species at pH 7.3 MetaCyc:CPD0-1436 phenio.json fumagillin http://purl.obolibrary.org/obo/CHEBI_194019 2_STAR
CHEBI:194063 biolink:ChemicalSubstance 3,3'-O-dimethylquercetin Major microspecies at pH 7.3. PMID:21343428 phenio.json 3,3'-O-dimethylquercetin http://purl.obolibrary.org/obo/CHEBI_194063 2_STAR
CHEBI:194065 biolink:ChemicalSubstance 7-O-methylmyricetin 5-olate Major microspecies at pH 7.3 PMID:21343428 phenio.json 7-O-methylmyricetin http://purl.obolibrary.org/obo/CHEBI_194065 2_STAR
CHEBI:194067 biolink:ChemicalSubstance 7,4'-O-dimethylkaempferol 3-olate Major microspecies at pH 7.3. PMID:21343428 phenio.json 7,4'-O-dimethylkaempferol http://purl.obolibrary.org/obo/CHEBI_194067 2_STAR
CHEBI:194068 biolink:ChemicalSubstance 7,4'-O-dimethylquercetin 3-olate Major microspecies at pH 7.3. PMID:21343428 phenio.json 7,4'-O-dimethylquercetin|ombuin 3-olate http://purl.obolibrary.org/obo/CHEBI_194068 2_STAR
CHEBI:194069 biolink:ChemicalSubstance 7,3',5'-O-trimethylmyricetin 3-olate Major microspecies at pH 7.3. PMID:21343428 phenio.json 7,3',5'-O-trimethylmyricetin http://purl.obolibrary.org/obo/CHEBI_194069 2_STAR
CHEBI:194070 biolink:ChemicalSubstance 3',4',5'-O-trimethylmyricetin 3,7-diolate Major microspecies at pH 7.3. PMID:21343428 phenio.json 3',4',5'-O-trimethylmyricetin http://purl.obolibrary.org/obo/CHEBI_194070 2_STAR
CHEBI:194071 biolink:ChemicalSubstance 7,3',4',5'-O-tetramethylmyricetin 3-olate Major microspecies at pH 7.3. PMID:21343428 phenio.json 7,3',4',5'-O-tetramethylmyricetin http://purl.obolibrary.org/obo/CHEBI_194071 2_STAR
CHEBI:194073 biolink:ChemicalSubstance 3-O-methylkaempferol 7-olate Major microspecies at pH 7.3. PMID:22711283 phenio.json 3-O-methylkaempferol http://purl.obolibrary.org/obo/CHEBI_194073 2_STAR
CHEBI:194074 biolink:ChemicalSubstance 3,4'-O-dimethylkaempferol 7-olate Major microspecies at pH 7.3. PMID:22711283 phenio.json 3,4'-O-dimethylkaempferol http://purl.obolibrary.org/obo/CHEBI_194074 2_STAR
CHEBI:194075 biolink:ChemicalSubstance 3,3',5'-O-trimethylmyricetin 7-olate Major microspecies at pH 7.3. PMID:22711283 phenio.json 3,3',5'-O-trimethylmyricetin http://purl.obolibrary.org/obo/CHEBI_194075 2_STAR
CHEBI:194076 biolink:ChemicalSubstance 3,3',4',5'-O-tetramethylmyricetin 7-olate Major microspecies at pH 7.3. PMID:22711283 phenio.json 3,3',4',5'-O-tetramethylmyricetin http://purl.obolibrary.org/obo/CHEBI_194076 2_STAR
CHEBI:194095 biolink:ChemicalSubstance mitomycin C(1-) PMID:17461583 phenio.json mitomycin C http://purl.obolibrary.org/obo/CHEBI_194095 2_STAR
CHEBI:1941 biolink:ChemicalSubstance 4-(trimethylammonio)butanoic acid A quaternary ammonium ion that is the conjugate acid of 4-(trimethylammonio)butanoate. HMDB:HMDB0001161|KEGG:C01181|PDBeChem:NM2|Reaxys:1765273 phenio.json 3-carboxy-N,N,N-trimethylpropan-1-aminium|4-Trimethylammoniobutanoate|Butyrobetaine|gamma-Butyrobetaine|gamma-butyrobetaine http://purl.obolibrary.org/obo/CHEBI_1941 3_STAR
CHEBI:194135 biolink:ChemicalSubstance 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid An oxazinoquinoline that is 2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one substituted by methyl, carboxy, fluoro, and 4-methylpiperazin-1-yl groups at positions 3, 6, 9, and 10, respectively. phenio.json 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_194135 3_STAR
CHEBI:194137 biolink:ChemicalSubstance neurokinin-1 receptor agonist An agonist at the neurokinin-1 receptor. phenio.json NK-1 receptor agonist|NK-1 receptor agonists|NK1 receptor agonist|NK1 receptor agonists|neurokinin-1 receptor agonists http://purl.obolibrary.org/obo/CHEBI_194137 3_STAR
CHEBI:194147 biolink:ChemicalSubstance aristolochic acids Organic heterotetracyclic compounds which are a group of nitro phenanthrene organic acids, naturally found in many kinds of plants, such as Aristolochia and Asarum, and widely cultivated in Asia.They are identified as a class 1 human carcinogen by the International Agency for Research on Cancer owing to their carcinogenicity and nephrotoxicity and can pose a significant hazard to food safety and human health. PMID:36347294|Wikipedia:Aristolochic_acid phenio.json http://purl.obolibrary.org/obo/CHEBI_194147 3_STAR
CHEBI:194156 biolink:ChemicalSubstance adenosine 2',5'-bisphosphate(4-) Major species at pH 7.3 MetaCyc:CPD0-1187 phenio.json adenosine 2',5'-bisphosphate http://purl.obolibrary.org/obo/CHEBI_194156 2_STAR
CHEBI:19418 biolink:ChemicalSubstance 3-(acetamidomethylene)-2-(hydroxymethyl)succinate(2-) A dicarboxylic acid dianion obtained by removal of a proton from both of the carboxylic acid groups of 3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid. phenio.json 2-(acetamidomethylene)-3-(hydroxymethyl)butanedioate|2-(acetamidomethylene)-3-(hydroxymethyl)succinate|2-(hydroxymethyl)-3-(acetamidomethylene)succinate http://purl.obolibrary.org/obo/CHEBI_19418 3_STAR
CHEBI:194216 biolink:ChemicalSubstance mangiferin(1-) Major species at pH 7.3 PMID:34583991 phenio.json mangiferin http://purl.obolibrary.org/obo/CHEBI_194216 2_STAR
CHEBI:194240 biolink:ChemicalSubstance omega-methyl-medium-chain fatty acid anion A medium-chain fatty acid anion obtained by deprotonation of the carboxy group of any omega-methyl fatty acid; major species at pH 7.3. PMID:17213671 phenio.json an omega-methyl-medium-chain fatty acid|omega-methyl-medium-chain fatty acid(1-) http://purl.obolibrary.org/obo/CHEBI_194240 2_STAR
CHEBI:194241 biolink:ChemicalSubstance omega-hydroxy-medium-chain fatty acid anion An omega-hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any omega-hydroxy-medium-chain fatty acid; major species at pH 7.3. PMID:17213671 phenio.json an omega-hydroxy-medium-chain fatty acid|omega-hydroxy medium-chain fatty acid anion|omega-hydroxy medium-chain fatty acid anions|omega-hydroxy-medium-chain fatty acid anions|omega-hydroxy-medium-chain fatty acid(1-) http://purl.obolibrary.org/obo/CHEBI_194241 3_STAR
CHEBI:194303 biolink:ChemicalSubstance omega-hydroxy-medium-chain fatty acid A omega-hydroxy-fatty acid with a chain length ranging from C6 to C12. phenio.json medium-chain omega-hydroxy-fatty acid|medium-chain omega-hydroxy-fatty acids|omega-hydroxy medium-chain fatty acid|omega-hydroxy medium-chain fatty acids|omega-hydroxy-medium-chain fatty acids http://purl.obolibrary.org/obo/CHEBI_194303 3_STAR
CHEBI:194304 biolink:ChemicalSubstance omega-hydroxy-very-long-chain fatty acid A omega-hydroxy-fatty acid with a chain length ranging from C23 to C26. phenio.json omega-hydroxy very-long-chain fatty acid|omega-hydroxy very-long-chain fatty acids|omega-hydroxy-very-long-chain fatty acids|very-long-chain omega-hydroxy-fatty acid|very-long-chain omega-hydroxy-fatty acids http://purl.obolibrary.org/obo/CHEBI_194304 3_STAR
CHEBI:194306 biolink:ChemicalSubstance omega-hydroxy-short-chain fatty acid A omega-hydroxy-fatty acid with a chain length of less than C6. phenio.json omega-hydroxy short-chain fatty acid|omega-hydroxy short-chain fatty acids|omega-hydroxy-short-chain fatty acids|short-chain omega-hydroxy-fatty acid|short-chain omega-hydroxy-fatty acids http://purl.obolibrary.org/obo/CHEBI_194306 3_STAR
CHEBI:194314 biolink:ChemicalSubstance N-formyl-L-methionyl-L-leucyl-L-phenylalaninate A peptide anion obtained by deprotonation of the carboxy group of N-formyl-L-methionyl-L-leucyl-L-phenylalanine; major species at pH 7.3. PMID:11375948|PMID:9835627 phenio.json F-Met-Leu-Phe anion|N-formyl-L-Met-L-Leu-L-Phe(1-)|N-formyl-L-methionyl-L-leucyl-L-phenylalanine|N-formyl-L-methionyl-L-leucyl-L-phenylalanine(1-)|N-formyl-L-methionyl-N-[(1S)-1-carboxylato-2-phenylethyl]-L-leucinamide|N-formyl-Met-Leu-Phe(1-)|fMLF(1-)|fMLP(1-) http://purl.obolibrary.org/obo/CHEBI_194314 3_STAR
CHEBI:19432 biolink:ChemicalSubstance 2-acetamidofluorenes An ortho-fused polycyclic arene, or derivative thereof, that consists of 9H-fluorene bearing an acetamido substituent at position 2. phenio.json http://purl.obolibrary.org/obo/CHEBI_19432 3_STAR
CHEBI:194321 biolink:ChemicalSubstance hydroperoxy unsaturated fatty acid Any unsaturated fatty acid carrying one or more hydroperoxy substituents. phenio.json hydroperoxy unsaturated fatty acids http://purl.obolibrary.org/obo/CHEBI_194321 3_STAR
CHEBI:194338 biolink:ChemicalSubstance T-type calcium channel blocker Any agent that interferes with the activity of T-type calcium channels. PMID:30372652|PMID:36738196|Wikipedia:T-type_calcium_channel phenio.json T-type calcium channel antagonist|T-type calcium channel antagonists|T-type calcium channel blockers http://purl.obolibrary.org/obo/CHEBI_194338 3_STAR
CHEBI:194387 biolink:ChemicalSubstance Eglumetad Chemspider:184747|KEGG:D08908 phenio.json (1S,2S,5R,6S)-2-aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid http://purl.obolibrary.org/obo/CHEBI_194387 2_STAR
CHEBI:194423 biolink:ChemicalSubstance aquaretic A class of diuretics which promote aquaresis (the excretion of water without electrolyte loss). PMID:12107918|PMID:17430186|PMID:21088744|PMID:24853354|PMID:28194573|PMID:28652798|PMID:29259382|PMID:36156485|PMID:8738740|PMID:8998673|Wikipedia:Aquaretic phenio.json aquaretic agent|aquaretic agents|aquaretics http://purl.obolibrary.org/obo/CHEBI_194423 3_STAR
CHEBI:194428 biolink:ChemicalSubstance (S)-mevalonolactone A 4-hydroxy-4-methyloxan-2-one that has (S)-configuration. CAS:19022-60-7 phenio.json (+)-(S)-mevalonic acid lactone|(+)-(S)-mevalonolactone|(+)-mevalolactone|(+)-mevalonolactone|(4S)-4-hydroxy-4-methyloxan-2-one|(4S)-4-hydroxy-4-methyltetrahydro-2H-pyran-2-one|(4S)-tetrahydro-4-hydroxy-4-methyl-2H-pyran-2-one|(S)-(+)-mevalolactone|L-mevalonolactone|S-mevalonolactone http://purl.obolibrary.org/obo/CHEBI_194428 3_STAR
CHEBI:194429 biolink:ChemicalSubstance mevalonolactone A racemate comprising equimolar amounts of (R)-mevalonolactone and (S)-mevalonolactone. CAS:674-26-0|HMDB:HMDB0006024|KNApSAcK:C00062661|LINCS:LSM-6380|PMID:11522061|PMID:12481687|PMID:36745799|PMID:9208099 phenio.json (+-)-mevalolactone|(+-)-mevalonolactone|(4RS)-4-hydroxy-4-methyloxan-2-one|(4RS)-4-hydroxy-4-methyltetrahydro-2H-pyran-2-one|(RS)-mevalonolactone|DL-mevalonic acid delta-lactone|DL-mevalonic acid lactone|DL-mevalonolactone|R,S-mevalonolactone|RS-mevalonolactone|mevalolactone|mevalonic acid delta-lactone|mevalonic acid lactone|mevalonic lactone|rac-4-hydroxy-4-methyltetrahydro-2H-pyran-2-one|rac-mevalonolactone|racemic mevalonolactone http://purl.obolibrary.org/obo/CHEBI_194429 3_STAR
CHEBI:194430 biolink:ChemicalSubstance antimyopathic agent A drug used to treat myopathy. Wikipedia:Myopathy phenio.json antimyopathic agents|antimyopathic drug|antimyopathic drugs http://purl.obolibrary.org/obo/CHEBI_194430 3_STAR
CHEBI:194431 biolink:ChemicalSubstance queuosine 5'-phosphate(1-) residue A negatively charged group obtained by removal of a proton from the phosphate group of queuosine 5'-phosphate residue. Major species at pH 7.3. phenio.json queuosine 5'-phosphate residue http://purl.obolibrary.org/obo/CHEBI_194431 2_STAR
CHEBI:194442 biolink:ChemicalSubstance alpha-D-mannosyl-4''-O-queuosine 5'-phosphate(1-) residue phenio.json alpha-D-mannosyl-4''-O-queuosine 5'-phosphate residue http://purl.obolibrary.org/obo/CHEBI_194442 2_STAR
CHEBI:194443 biolink:ChemicalSubstance epoxyqueuosine 5'-phosphate(1-) residue phenio.json epoxyqueuosine 5'-phosphate residue http://purl.obolibrary.org/obo/CHEBI_194443 2_STAR
CHEBI:194466 biolink:ChemicalSubstance L-Lysine zwitterion Primary zwitterion of L-Lysine present at the isoelectric point phenio.json http://purl.obolibrary.org/obo/CHEBI_194466 2_STAR
CHEBI:194467 biolink:ChemicalSubstance NOD1 agonist An agonist that activates NOD1 receptors. Wikipedia:NOD1 phenio.json CARD4 agonist|CARD4 agonists|CLR7.1 agonist|CLR7.1 agonists|NOD1 agonists|caspase recruitment domain-containing protein 4 agonist|caspase recruitment domain-containing protein 4 agonists|nucleotide binding oligomerization domain containing 1 agonist|nucleotide binding oligomerization domain containing 1 agonists|nucleotide-binding oligomerization domain-containing protein 1 agonist|nucleotide-binding oligomerization domain-containing protein 1 agonists http://purl.obolibrary.org/obo/CHEBI_194467 3_STAR
CHEBI:194473 biolink:ChemicalSubstance 4-carboxyanilinium A primary ammonium ion that is the conjugate acid of 4-aminobenzoic acid resulting from the protonation of the amino group. phenio.json (4-carboxyphenyl)azanium|4-amniobenzoic acid cation|4-amniobenzoic acid(1+)|4-carboxyanilinium http://purl.obolibrary.org/obo/CHEBI_194473 3_STAR
CHEBI:194474 biolink:ChemicalSubstance 4-ammoniobenzoate A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid. phenio.json 4-aminobenzoic acid zwitterion|4-azaniumylbenzoate http://purl.obolibrary.org/obo/CHEBI_194474 3_STAR
CHEBI:19448 biolink:ChemicalSubstance 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid An oxo dicarboxylic acid that is but-2-enedioic acid substituted by an amino group at position 2 and a 3-oxoprop-1-enyl group at position 3. Beilstein:1950054|HMDB:HMDB0001330 phenio.json 2-amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioic acid http://purl.obolibrary.org/obo/CHEBI_19448 3_STAR
CHEBI:194491 biolink:ChemicalSubstance N-acetyl-beta-D-muramoyl-L-alanyl-D-isoglutamine(1-) Conjugate base of muramyl dipeptide. Major species at pH 7.3. PMID:36002575 phenio.json N-acetyl-beta-D-muramoyl-L-alanyl-D-isoglutamine|muramyl dipeptide(1-) http://purl.obolibrary.org/obo/CHEBI_194491 2_STAR
CHEBI:194492 biolink:ChemicalSubstance 6-O-phospho-N-acetylmuramoyl-L-alanyl-D-isoglutamine(3-) PMID:36002575 phenio.json 6-O-phospho-MDP|6-O-phospho-N-acetyl-D-muramoyl-L-alanyl-D-isoglutamine|6-O-phospho-muramyl dipeptide http://purl.obolibrary.org/obo/CHEBI_194492 2_STAR
CHEBI:194495 biolink:ChemicalSubstance 3-aminopropanesulfonic acid zwitterion Zwitterionic form of 3-aminopropanesulfonic acid arising from transfer of a proton from the sulfo to the amino group; major species at pH 7.3. MetaCyc:CPD-11725|PMID:36543883|PMID:6319409 phenio.json 3-aminopropane sulfonate|3-ammoniopropane-1-sulfonate|3-azaniumylpropane-1-sulfonate http://purl.obolibrary.org/obo/CHEBI_194495 3_STAR
CHEBI:194499 biolink:ChemicalSubstance oripavine(1+) The trialkylammonium ion resulting from the protonation of the amino group of oripavine; Major species at pH 7.3. MetaCyc:CPD-7713|PMID:23928311 phenio.json 3-O-demethylthebaine cation|3-O-demethylthebaine(1+)|3-hydroxy-6-methoxy-17-methyl-5alpha-6,7,8,14-tetradehydro-4,5-epoxymorphinan-17-ium|oripavine|oripavine cation http://purl.obolibrary.org/obo/CHEBI_194499 3_STAR
CHEBI:194507 biolink:ChemicalSubstance argipressin(2+) A peptide cation that is the conjugate acid of argipressin, arising from the protonation of the N-terminal amino group and the guanidino group; major species at pH 7.3. PMID:16971491 phenio.json 8-L-arginine vasopressin(2+)|argipressin http://purl.obolibrary.org/obo/CHEBI_194507 2_STAR
CHEBI:194508 biolink:ChemicalSubstance (11R)-carlactone PMID:34586497 phenio.json (11R)-carlactone http://purl.obolibrary.org/obo/CHEBI_194508 2_STAR
CHEBI:194518 biolink:ChemicalSubstance reticuline(1+) phenio.json reticuline http://purl.obolibrary.org/obo/CHEBI_194518 2_STAR
CHEBI:194519 biolink:ChemicalSubstance 3,5-dihydroxy-3-methylpentanoic acid A dihydroxy monocarboxylic acid comprising valeric acid having two hydroxy groups at the 3- and 5-positions together with a methyl group at the 3-position. PMID:3540738 phenio.json 2,4-dideoxy-3-C-methylpentonic acid|3,5-dihydroxy-3-methylpentanoic acid|3,5-dihydroxy-3-methylvaleric acid|beta,delta-dihydroxy-beta-methylvaleric acid http://purl.obolibrary.org/obo/CHEBI_194519 3_STAR
CHEBI:194520 biolink:ChemicalSubstance 3,5-dihydroxy-3-methylpentanoate A hydroxy monocarboxylic acid anion that is the conjugate base of 3,5-dihydroxy-3-methylpentanoic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3. phenio.json 2,4-dideoxy-3-C-methylpentonate|3,5-dihydroxy-3-methylpentanoate|3,5-dihydroxy-3-methylvalerate|beta,delta-dihydroxy-beta-methylvalerate http://purl.obolibrary.org/obo/CHEBI_194520 3_STAR
CHEBI:194528 biolink:ChemicalSubstance an (S)-7,8,13,14-tetrahydroprotoberberine PMID:19624470 phenio.json an (S)-7,8,13,14-tetrahydroprotoberberine http://purl.obolibrary.org/obo/CHEBI_194528 2_STAR
CHEBI:194529 biolink:ChemicalSubstance an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine PMID:19624470 phenio.json an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine http://purl.obolibrary.org/obo/CHEBI_194529 2_STAR
CHEBI:194548 biolink:ChemicalSubstance 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol A catecholamine in which the aminoethyl side-chain is hydroxy-substituted at C-1 and methylated on nitrogen. phenio.json 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_194548 3_STAR
CHEBI:19471 biolink:ChemicalSubstance 2-aminohexano-6-lactam An amino acid amide obtained by the intramolecular condensation of the terminal amino group with the carboxy group in lysine. Beilstein:80945|CAS:671-42-1 phenio.json 3-aminoazepan-2-one|3-aminohexahydro-2H-azepin-2-one http://purl.obolibrary.org/obo/CHEBI_19471 3_STAR
CHEBI:19475 biolink:ChemicalSubstance 2-aminopentanoic acid An alpha-amino acid that is valeric acid which is substituted at position 2 by an amino group. CAS:760-78-1|DrugBank:DB04185|Reaxys:1721160|Wikipedia:Norvaline phenio.json 2-Aminovaleric acid|2-aminopentanoic acids|2-aminovaleric acids|DL-Norvaline|DL-alpha-aminovaleric acid|Nva|alpha-DL-aminopentanoic acid|alpha-aminopentanoic acid|alpha-aminovaleric acid|norvaline|norvalines http://purl.obolibrary.org/obo/CHEBI_19475 3_STAR
CHEBI:19503 biolink:ChemicalSubstance propachlor An anilide that consists of 2-chloroacetanilide bearing an N-isopropyl substituent. CAS:1918-16-7|KEGG:C18759|PMID:22953837|PMID:7272464|PPDB:543|Pesticides:propachlor|Reaxys:2103903|UM-BBD_compID:c0653|Wikipedia:Propachlor phenio.json 2-Chloro-N-(1-methylethyl)-N-phenylacetamide|2-chloro-N-isopropyl-N-phenylacetamide|2-chloro-N-isopropylacetanilide|Bexton 4L|Chloressigsaeure-N-isopropylanilid|Kartex A|N-isopropyl-2-chloroacetanilide|N-isopropyl-alpha-chloroacetanilide|Nitacid|Niticid|Propachlore|Ramrod 65|alpha-Chloro-N-isopropylacetanilide|alpha-chloro-N-isopropylacetanilid http://purl.obolibrary.org/obo/CHEBI_19503 3_STAR
CHEBI:19511 biolink:ChemicalSubstance 2-cis,6-cis-farnesyl diphosphate Beilstein:11203892 phenio.json (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_19511 3_STAR
CHEBI:19515 biolink:ChemicalSubstance 2-cis,6-trans-farnesyl diphosphate Beilstein:7861509|KEGG:C16826 phenio.json (2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate|(2Z,6E)-Farnesyl diphosphate http://purl.obolibrary.org/obo/CHEBI_19515 3_STAR
CHEBI:195191 biolink:ChemicalSubstance desferrioxamine B(1+) A primary aliphatic ammonium ion that is the conjugate acid of desferrioxamine B; major species at pH 7.3. PDBeChem:KTY phenio.json desferrioxamine B|desferrioxaminium B http://purl.obolibrary.org/obo/CHEBI_195191 2_STAR
CHEBI:195194 biolink:ChemicalSubstance 5'-end 2'-deoxyribose-deoxyribonucleotide residue(3-) Major species at pH 7.3 MetaCyc:a-5-deoxyribose-5-phosphate-DNA|PMID:9614142 phenio.json a 5'-end 2'-deoxyribose-deoxyribonucleotide residue http://purl.obolibrary.org/obo/CHEBI_195194 2_STAR
CHEBI:195195 biolink:ChemicalSubstance (2E,4S)-4-hydroxypenten-2-al-5-phosphate(2-) Major species at pH 7.3 MetaCyc:CPD-22978|PMID:9614142 phenio.json (2E,4S)-4-hydroxypenten-2-al-5-phosphate http://purl.obolibrary.org/obo/CHEBI_195195 2_STAR
CHEBI:195196 biolink:ChemicalSubstance Xaa-L-proline zwitterion A dipeptide with a C-terminal L-proline residue; major microspecies at pH 7.3. MetaCyc:Dipeptides-With-Proline-Carboxy|PMID:15313226 phenio.json Xaa-L-Pro dipeptide http://purl.obolibrary.org/obo/CHEBI_195196 2_STAR
CHEBI:195208 biolink:ChemicalSubstance tat-BP(2-) A glycopeptide anion that is the conjugate base of tat-BP, arising from deprotonation of the three carboxy groups and protonation of the amino group; major species at pH 7.3. PMID:16556841|PMID:28539433|PMID:37116499 phenio.json N-acetyl-D-glucosaminyl-1,6-anhydro-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-diaminopimelyl-D-alanine(2-)|N-acetyl-beta-D-glucosaminyl-(1->4)-1,6-anhydro-N-acetyl-beta-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanine|TCT(2-)|tracheal cytotoxic glycopeptide(2-) http://purl.obolibrary.org/obo/CHEBI_195208 2_STAR
CHEBI:195215 biolink:ChemicalSubstance glycoalkaloid A glycoside that is a compound containing one or more hydrophilic glycoside moieties combined with an alkaloid. Found in Solanaceae plants such as courgettes, paprika, aubergines, tomatoes and potatoes. PMID:35161249|PMID:35811507|PMID:36260761|PMID:36277854|PMID:36675181|PMID:36931584|PMID:37164133|Wikipedia:Glycoalkaloid phenio.json glycoalkaloids http://purl.obolibrary.org/obo/CHEBI_195215 3_STAR
CHEBI:195233 biolink:ChemicalSubstance diethyl 2-sulfanylbutanedioate A diester resulting from the formal condensation of the carboxy groups of thiomalic acid with ethanol. It is a metabolite of the insecticide malathion. AGR:IND93002823|CAS:23060-14-2|PMID:18227961|PMID:219925|PMID:28013137|PMID:29415099|PMID:34060111|PMID:6430230|PMID:6612736|Reaxys:1779749 phenio.json 1,4-diethyl 2-sulfanylbutanedioate|2-mercaptosuccinic acid diethyl ester|FEMA 4972|diethyl 2-mercaptobutanedioate|diethyl 2-mercaptosuccinate|diethyl 2-sulfanylbutanedioate|diethyl mercaptosuccinate|mercaptosuccinic acid diethyl ester http://purl.obolibrary.org/obo/CHEBI_195233 3_STAR
CHEBI:195237 biolink:ChemicalSubstance alkenylbenzene A member of the class of benzenes that is benzene substituted with one or more alkenyl groups. It is a group of naturally occurring compounds that are synthesized as secondary metabolites in various plants, including nutmeg and basil. PMID:20863818|PMID:28580843|PMID:29913232|PMID:32283503|PMID:34071244|PMID:34574258|PMID:34861381|PMID:35011249|PMID:35804802|PMID:36863505 phenio.json alkenyl benzene|alkenyl benzenes|alkenylbenzenes http://purl.obolibrary.org/obo/CHEBI_195237 3_STAR
CHEBI:195250 biolink:ChemicalSubstance corn oil An oil extracted from the germ of Zea mays. Typical fatty acid composition is 52% linoleic acid, 31% oleic acid, 13% palmitic acid, 3% stearic acid, and 1% linolenic acid. It also contains significant amounts of vitamin E. AGR:IND607556831|AGR:IND607965787|CAS:8001-30-7|KEGG:D03590|PMID:35699154|PMID:35789318|PMID:36060572|PMID:36139806|PMID:36230300|PMID:36236152|PMID:36385114|PMID:36621096|PMID:36677028|PMID:36731234|PMID:36789040|PMID:36942760|PMID:36958465|PMID:37075571|PMID:37148511|Wikipedia:Corn_oil phenio.json Bunge|Gold-N-Sweet pan spray|Lipomul|Maydol|Mazola oil|Semen Maydis oil|Zea mays oil|corn germ oil|fats and glyceridic oils, corn|germ oil of Semen Maydis|maise oil|maize oil|oils, corn|oils, glyceridic, corn http://purl.obolibrary.org/obo/CHEBI_195250 3_STAR
CHEBI:195251 biolink:ChemicalSubstance activator A substance that increases the rate of a chemical reaction. phenio.json activators http://purl.obolibrary.org/obo/CHEBI_195251 3_STAR
CHEBI:195252 biolink:ChemicalSubstance enzyme activator An activator of an enzyme-catalysed reaction. Wikipedia:Enzyme_activator phenio.json enzyme activators http://purl.obolibrary.org/obo/CHEBI_195252 3_STAR
CHEBI:195255 biolink:ChemicalSubstance gentamicin X2 cation (4+) Major microspecies at pH 7.3. MetaCyc:CPD-14214|PMID:23679096|PMID:29091410 phenio.json gentamicin X2 http://purl.obolibrary.org/obo/CHEBI_195255 2_STAR
CHEBI:195256 biolink:ChemicalSubstance geneticin cation(4+) Major microspecies at pH 7.3. MetaCyc:CPD-14209|PMID:23679096|PMID:29091410 phenio.json G418|geneticin http://purl.obolibrary.org/obo/CHEBI_195256 2_STAR
CHEBI:195260 biolink:ChemicalSubstance N-acetyl-D-glutamate(2-) An N-acyl-D-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-D-glutamic acid. Major microspecies at pH 7.3. MetaCyc:CPD-26441|PMID:36690779 phenio.json N-acetyl-D-Glu|N-acetyl-D-glutamate http://purl.obolibrary.org/obo/CHEBI_195260 2_STAR
CHEBI:195274 biolink:ChemicalSubstance N-acetyl-D-aspartate(2-) An N-acyl-D-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-D-aspartic acid. Major microspecies at pH 7.3. PMID:36690779 phenio.json N-acetyl-D-Asp|N-acetyl-D-aspartate http://purl.obolibrary.org/obo/CHEBI_195274 2_STAR
CHEBI:195280 biolink:ChemicalSubstance artemether An artemisinin derivative that is artemisinin in which the lactone has been converted to the corresponding lactol methyl ether. It is used in combination with lumefantrine as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. Beilstein:6569878|CAS:71963-77-4|DrugBank:DB06697|Drug_Central:245|KEGG:D02483|LINCS:LSM-5519|PMID:11141088|PMID:12781185|PMID:16033274|PMID:17242150|PMID:17404003|PMID:18243702|PMID:3279208|Wikipedia:Artemether phenio.json (1R,4S,5R,8S,9R,10S,12R,13R)-10-methoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0^{4,13}.0^{8,13}]hexadecane|(3R,5aS,6R,8aS,9R,10S,12R,12aR)-10-methoxy-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepine|10-methoxy-1,5,9-trimethyl-(1R,4S,5R,8S,9R,10S,12R,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane|artemetero|artemether|artemetherum|artemisininelactol methyl ether|beta-artemether|beta-dihydroartemisinin methyl ether|dihydroartemisinin methyl ether|methyl-dihydroartemisinine http://purl.obolibrary.org/obo/CHEBI_195280 3_STAR
CHEBI:195298 biolink:ChemicalSubstance loganetin An iridoid monoterpenoid that is methyl (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate substituted at positions 1 and 6 by hydroxy groups and at postion 7 by a methyl group; the aglycone of loganin. CAS:29748-10-5|KEGG:C22676|KNApSAcK:C00036132|MetaCyc:CPD-16441|PMID:12943773|PMID:19967996|PMID:21799001|PMID:22466563|PMID:26749820|PMID:27534097|PMID:29276981|PMID:30205569|PMID:30706443|PMID:33098378|PMID:34692636|PMID:37026980 phenio.json methyl (1R,4aS,6S,7R,7aS)-1,6-dihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate http://purl.obolibrary.org/obo/CHEBI_195298 3_STAR
CHEBI:195327 biolink:ChemicalSubstance HYDROXYPROPYL BETADEX CAS:94035-02-6 phenio.json 2-Hydroxypropyl-beta-cyclodextrin|HPBCD|Hydroxypropyl BCD http://purl.obolibrary.org/obo/CHEBI_195327 2_STAR
CHEBI:195348 biolink:ChemicalSubstance protectin D1(1-) A dihydroxydocosahexaenoate that is the conjugate base of protectin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:26580578 phenio.json (10R,17S)-dihydroxy-(4Z,7Z,11E,13E,15Z,19Z)-docosahexaenoate|(4Z,7Z,10R,11E,13E,15Z,17S,19Z)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoate|neuroprotectin D1 anion|neuroprotectin D1(1-)|protectin D1 anion http://purl.obolibrary.org/obo/CHEBI_195348 3_STAR
CHEBI:195358 biolink:ChemicalSubstance 11-cis-retinyl ester phenio.json 11-cis-retinyl ester http://purl.obolibrary.org/obo/CHEBI_195358 2_STAR
CHEBI:195362 biolink:ChemicalSubstance N-(omega-hydroxyacyl)-sphingosine phenio.json N-(omega-hydroxyacyl)-sphing-4-enine|omega-hydroxy-ceramide(d18:1(4E)) http://purl.obolibrary.org/obo/CHEBI_195362 2_STAR
CHEBI:195364 biolink:ChemicalSubstance (6R)-10-formyltetrahydrofolic acid A 10-formyltetrahydrofolic acid that has R-configuration at position 6. PMID:2185839|Patent:EP0535710 phenio.json (2S,6R)-10-formyltetrahydrofolic acid|(6R)-N(10)-formyl-5,6,7,8-tetrahydrofolic acid|(6R)-N(10)-formyltetrahydrofolic acid|N-{4-[{[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzoyl}-L-glutamic acid http://purl.obolibrary.org/obo/CHEBI_195364 3_STAR
CHEBI:195366 biolink:ChemicalSubstance (6R)-10-formyltetrahydrofolate(2-) phenio.json (2S)-2-{4-[{[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}(formyl)amino]benzamido}pentanedioate|(2S,6R)-10-formyltetrahydrofolate|(6R)-10-formyltetrahydrofolate|(6R)-N(10)-formyl-5,6,7,8-tetrahydrofolate|(6R)-N(10)-formyltetrahydrofolate http://purl.obolibrary.org/obo/CHEBI_195366 3_STAR
CHEBI:195398 biolink:ChemicalSubstance batimastat A secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor. CAS:130370-60-4|Chemspider:4515033|DrugBank:DB03880|KEGG:D03061|LINCS:LSM-6276|MetaCyc:CPD-21519|PDBeChem:BAT|PMID:10100701|PMID:10416010|PMID:10566008|PMID:10628317|PMID:11129784|PMID:11435723|PMID:11575928|PMID:11718018|PMID:12172929|PMID:14741217|PMID:15206921|PMID:22684055|PMID:24819550|PMID:26443597|PMID:26546696|PMID:26559179|PMID:28417261|PMID:32048249|PMID:32397419|PMID:32411205|PMID:33330030|PMID:34055088|PMID:34060428|PMID:36001659|PMID:36482856|PMID:36825288|PMID:37302822|PMID:7577999|PMID:7627972|PMID:8062271|PMID:8347186|PMID:8610113|PMID:8665519|PMID:8913271|PMID:8913840|PMID:9816289|PMID:9882797|PMID:9932102|Wikipedia:Batimastat phenio.json (2R,3S)-N(4)-hydroxy-N(1)-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]butanediamide|(2R,3S)-N(4)-hydroxy-N(1)-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide|4-(N-hydroxyamino)-2R-isobutyl-3S-(thiopen-2-ylthiomethyl)-succinyl-L-phenylalanine-N-methylamide|BB 94|BB-94|BB94|batimastat|batimastatum http://purl.obolibrary.org/obo/CHEBI_195398 3_STAR
CHEBI:195403 biolink:ChemicalSubstance (17S)-HDHA(1-) A hydroxydocosahexaenoate that is the conjugate base of (17S)-HDHA, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:36608588 phenio.json (17S)-hydroxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoate http://purl.obolibrary.org/obo/CHEBI_195403 2_STAR
CHEBI:195408 biolink:ChemicalSubstance PE(16:1(9Z)/14:0) zwitterion phenio.json http://purl.obolibrary.org/obo/CHEBI_195408 2_STAR
CHEBI:195410 biolink:ChemicalSubstance PE(16:1(9Z)/16:0) zwitterion phenio.json http://purl.obolibrary.org/obo/CHEBI_195410 2_STAR
CHEBI:195411 biolink:ChemicalSubstance PE(18:0/16:1(9Z)) zwitterion phenio.json http://purl.obolibrary.org/obo/CHEBI_195411 2_STAR
CHEBI:195476 biolink:ChemicalSubstance N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine phenio.json ganglioside GA2 http://purl.obolibrary.org/obo/CHEBI_195476 2_STAR
CHEBI:195517 biolink:ChemicalSubstance 5-S-cysteinyldopa zwitterion Major microspecies at pH 7.3. MetaCyc:CPD-15154|PMID:10952395 phenio.json 5-S-cysteinyldopa http://purl.obolibrary.org/obo/CHEBI_195517 2_STAR
CHEBI:195533 biolink:ChemicalSubstance PABA/NO A C-nitro compound that is benzene substituted by [4-(methylamino)benzoyl]oxy, nitro, nitro, and (3,3-dimethyl-2-oxido-2lambda(5)-triaz-1-en-1-yl)oxy groups at positions 1, 2, 4, and 5, respectively. It is an anti-cancer compound that is designed to release NO upon activation by glutathione. CAS:875769-11-2|PMID:15102935|PMID:16288082|PMID:16399394|PMID:16451080|PMID:18060792|PMID:19053760|PMID:19662104|PMID:19773442|PMID:20000791|PMID:20232108|PMID:21455987|PMID:21949595|PMID:22654912|PMID:23617697|PMID:26043946 phenio.json 5-[(3,3-dimethyl-2-oxido-1-triazen-1-yl)oxy]-2,4-dinitrophenyl 4-(methylamino)benzoate|5-[(3,3-dimethyl-2-oxido-2lambda(5)-triaz-1-en-1-yl)oxy]-2,4-dinitrophenyl 4-(methylamino)benzoate|O(2)-(2,4-dinitro-5-(4-(N-methylamino)benzoyloxy)phenyl) 1-(N,N-dimethylamino)diazen-1-ium-1,2-diolate|PABA/NO http://purl.obolibrary.org/obo/CHEBI_195533 3_STAR
CHEBI:195541 biolink:ChemicalSubstance JTE-013 A semicarbazide derivative that is semicarbazide in which the amino group at position 2 is replaced by a [1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]amino group and the amino group adjacent to the carbonyl is replaced by a (2,6-dichloropyridin-4-yl)amino group. It is a potent S1P2 antagonist (IC50 = 17.6 nM). CAS:383150-41-2|LINCS:LSM-2961|PMID:12557151|PMID:22673325|PMID:27295443|PMID:27829417|PMID:31610097|PMID:32088343|PMID:32487782|PMID:32798381|PMID:33643037|PMID:33971464|PMID:34413778|PMID:34769490|PMID:35013382|PMID:36339341|PMID:36527992|PMID:36690339|PMID:36800698|PMID:36834810 phenio.json 1-(2,6-dichloro-4-pyridinyl)-3-[(1,3-dimethyl-4-propan-2-yl-6-pyrazolo[3,4-b]pyridinyl)amino]urea|1-[1,3-dimethyl-4-(2-methylethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]-4-(2,6-dichloro-4-pyridinyl)-semicarbazide|JTE 013|JTE013|N-(2,6-dichloropyridin-4-yl)-2-[1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]hydrazine-1-carboxamide|N-(2,6-dichloropyridin-4-yl)-2-[1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]hydrazinecarboxamide http://purl.obolibrary.org/obo/CHEBI_195541 3_STAR
CHEBI:195542 biolink:ChemicalSubstance sphingosine-1-phosphate receptor 2 antagonist Any sphingosine-1-phosphate receptor (S1PR) antagonist that acts as an antagonist for the subtype 2 receptors (S1PR2). PMID:25746814|PMID:26384288|PMID:26794040|PMID:28676392|PMID:34411894|PMID:36527992|Wikipedia:S1PR2 phenio.json EDG-5 antagonist|EDG-5 antagonists|EDG5 antagonist|EDG5 antagonists|S1P2 antagonist|S1P2 antagonists|S1PR2 antagonist|S1PR2 antagonists|sphingosine-1-phosphate receptor 2 antagonists http://purl.obolibrary.org/obo/CHEBI_195542 3_STAR
CHEBI:195544 biolink:ChemicalSubstance aspartame zwitterion A dipeptide zwitterion resulting from transfer of a proton from the carboxy to the amino group of aspartame; major species at pH 7.3. MetaCyc:CPD-5583 phenio.json (3S)-3-azaniumyl-4-{[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobutanoate|aspartame http://purl.obolibrary.org/obo/CHEBI_195544 3_STAR
CHEBI:195545 biolink:ChemicalSubstance biocytin zwitterion An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of biocytin; major species at pH 7.3. MetaCyc:CPD-17700 phenio.json (2S)-2-azaniumyl-6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoate|biocytin http://purl.obolibrary.org/obo/CHEBI_195545 3_STAR
CHEBI:195546 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-N-acylsphingoid phenio.json http://purl.obolibrary.org/obo/CHEBI_195546 2_STAR
CHEBI:19555 biolink:ChemicalSubstance 2-deoxy-D-glucoside A D-glucoside compound with the 2-hydroxy substituent either absent or replaced by a different functional group. phenio.json 2-deoxy-D-glucosides http://purl.obolibrary.org/obo/CHEBI_19555 3_STAR
CHEBI:195574 biolink:ChemicalSubstance 4'-Azidocytidine Chemspider:402579 phenio.json 4-amino-1-[(2R,3R,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one http://purl.obolibrary.org/obo/CHEBI_195574 2_STAR
CHEBI:195578 biolink:ChemicalSubstance 2',5'-Dideoxyadenosine Chemspider:58670 phenio.json (2R,3S,5R)-5-(6-aminopurin-9-yl)-2-methyloxolan-3-ol http://purl.obolibrary.org/obo/CHEBI_195578 2_STAR
CHEBI:195634 biolink:ChemicalSubstance (4E)-unsatiated ceramide phenio.json http://purl.obolibrary.org/obo/CHEBI_195634 2_STAR
CHEBI:19564 biolink:ChemicalSubstance 2-deoxyribose 1-phosphate phenio.json 2-deoxy-ribose 1-phosphates http://purl.obolibrary.org/obo/CHEBI_19564 3_STAR
CHEBI:19565 biolink:ChemicalSubstance 2-deoxyribose 5-phosphate phenio.json 2-deoxy-ribose 5-phosphates http://purl.obolibrary.org/obo/CHEBI_19565 3_STAR
CHEBI:19568 biolink:ChemicalSubstance 2-deoxyribose bisphosphate phenio.json 2-deoxyribose bisphosphates http://purl.obolibrary.org/obo/CHEBI_19568 3_STAR
CHEBI:19569 biolink:ChemicalSubstance 2-deoxyribose phosphate A deoxyaldopentose phosphate in which the deoxyaldopentose is 2-deoxyribose. phenio.json 2-deoxyribose phosphate|2-deoxyribose phosphates|deoxyribose phosphate http://purl.obolibrary.org/obo/CHEBI_19569 3_STAR
CHEBI:19573 biolink:ChemicalSubstance 2-enoyl-CoA An unsaturated fatty acyl-CoA in which the S-acyl group contains a double bond between positions 2 and 3. KEGG:C00605|MetaCyc:D2-ENOYL-COA phenio.json 2,3-dehydroacyl-CoA|2,3-dehydroacyl-CoAs|2-enoyl-CoAs http://purl.obolibrary.org/obo/CHEBI_19573 3_STAR
CHEBI:19591 biolink:ChemicalSubstance 2-hexenal A hexenal having the double bond at the 2-position. CAS:505-57-7|LIPID_MAPS_instance:LMFA06000002|PMID:20736172|PMID:20936263|PMID:26475511|Reaxys:1740988 phenio.json 2-hexenal|2-hexenaldehyde|3-propyl-acrolein|alpha,beta-hexylenaldehyde|alpha.beta-Hexylenaldehyd|beta-propylacrolein|hex-2-enal|hexen-2-al|hexen-2-en-1-al|hexylenic aldehyde|leaf aldehyde http://purl.obolibrary.org/obo/CHEBI_19591 3_STAR
CHEBI:195927 biolink:ChemicalSubstance 4-Amino-2-methyl-1-naphthol Chemspider:6497|HMDB:HMDB0032887 phenio.json 4-amino-2-methylnaphthalen-1-ol http://purl.obolibrary.org/obo/CHEBI_195927 2_STAR
CHEBI:19615 biolink:ChemicalSubstance 2-hydroxy-6-oxonona-2,4-dienedioate UM-BBD_compID:c0425 phenio.json 2-hydroxy-6-keto-nona-2,4-dienedioate|2-hydroxy-6-oxonona-2,4-dienedioate http://purl.obolibrary.org/obo/CHEBI_19615 3_STAR
CHEBI:19641 biolink:ChemicalSubstance 2-hydroxyisobutyrate A hydroxy fatty acid anion that is the conjugate base of 2-hydroxyisobutyric acid, arising from deprotonation of the carboxy group; major species at pH 7.3. Reaxys:3903948 phenio.json 2-hydroxy-2-methylpropanoate|alpha-hydroxy-alpha-methylpropanoate|alpha-hydroxy-alpha-methylpropionate|alpha-hydroxyisobutanoate|alpha-hydroxyisobutyrate http://purl.obolibrary.org/obo/CHEBI_19641 3_STAR
CHEBI:19660 biolink:ChemicalSubstance 2-hydroxyoctadecanoic acid A long-chain fatty acid that is stearic (octadecanoic) acid substituted at position 2 by a hydroxy group. CAS:629-22-1|LIPID_MAPS_instance:LMFA02000120|PMID:13661981|PMID:21417341|PMID:22339649|PMID:4385515|Reaxys:1791479 phenio.json 2-hydroxyoctadecanoic acid|2-hydroxystearic acid|alpha-hydroxyoctadecanoic acid|alpha-hydroxystearic acid http://purl.obolibrary.org/obo/CHEBI_19660 3_STAR
CHEBI:19672 biolink:ChemicalSubstance 4-oxohex-2-enedioic acid Beilstein:8404489|Wikipedia:Maleylacetic_acid phenio.json 4-oxohex-2-enedioic acid http://purl.obolibrary.org/obo/CHEBI_19672 3_STAR
CHEBI:19680 biolink:ChemicalSubstance 2-methylacetoacetate Beilstein:5246120 phenio.json 2-methyl-3-oxobutanoate|2-methyl-3-oxobutyrate http://purl.obolibrary.org/obo/CHEBI_19680 3_STAR
CHEBI:196991 biolink:ChemicalSubstance 4-hydroperoxycyclophosphamide A phosphorodiamide that is the active metabolite of the nitrogen mustard cyclophosphamide. It has potent antineoplastic and immunosuppressive properties. CAS:39800-16-3|PMID:8024619|Patent:NL7208895|Patent:US3808297|Reaxys:531579 phenio.json 2-(Bis(2-chloroethyl)amino)-4-hydroperoxytetrahydro-2H-1,3,2-oxazaphosphorine|2-(bis(2-chloroethyl)amino)tetrahydro-2-oxideo-2H-1,3,2-oxazaphosphorin-4-yl hydroperoxide|2-[bis(2-chloroethyl)amino]-2-oxido-1,3,2-oxazaphosphinan-4-yl hydroperoxide|4-Hydroperoxycyclofosfamide|4-OOH Cyclophosphamide|Perfosfamide (unspecified) http://purl.obolibrary.org/obo/CHEBI_196991 3_STAR
CHEBI:19702 biolink:ChemicalSubstance N(2)-methylguanosine Guanosine with the hydrogen on the amine at position N-2 substituted with a methyl group. CAS:2140-77-4|HMDB:HMDB0005862|PMID:21735129|PMID:22337946|PMID:22770225|Reaxys:1031383|Reaxys:46491 phenio.json 2-(methylamino)-9-(beta-D-ribofuranosyl)-1,9-dihydro-6H-purin-6-one|2-Methylguanosine|7-Methylguanosine|9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-(methylamino)-1,9-dihydro-6H-purin-6-one|N(2)-Methylguanosine|N-methylguanosine|m2g http://purl.obolibrary.org/obo/CHEBI_19702 3_STAR
CHEBI:197221 biolink:ChemicalSubstance NORCANTHARIDIN Chemspider:8053159|Chemspider:83957|HMDB:HMDB0245751|KEGG:D97665 phenio.json (1R,2S,6R,7S)-4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione|4,10-dioxatricyclo[5.2.1.02,6]decane-3,5-dione http://purl.obolibrary.org/obo/CHEBI_197221 2_STAR
CHEBI:197237 biolink:ChemicalSubstance CEDRELONE Chemspider:10222113 phenio.json (1R,2R,4R,6S,7S,10R,11R)-6-(uran-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione http://purl.obolibrary.org/obo/CHEBI_197237 2_STAR
CHEBI:197289 biolink:ChemicalSubstance 6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid A 6-oxo monocarboxylic acid that is 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid in with one of the ortho positions of the phenyl ring is substituted by an amino group. phenio.json 2-hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoic acid|6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid http://purl.obolibrary.org/obo/CHEBI_197289 3_STAR
CHEBI:19733 biolink:ChemicalSubstance (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate A 4-oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid. MetaCyc:CPD-866|UM-BBD_compID:c0410 phenio.json (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate|2-Oxo-delta(3)-4,5,5-trimethylcyclopentenylacetate http://purl.obolibrary.org/obo/CHEBI_19733 3_STAR
CHEBI:197331 biolink:ChemicalSubstance UDP-D-glucuronic acid A UDP-sugar having D-glucopyranuronic acid as the sugar component. PMID:27834878|PMID:35043627|PMID:4333589|PMID:4373069|PMID:4393018|PMID:5737946 phenio.json UDP-GlcA|UDP-glucuronic acid|UDPGA|uridine diphosphate glucuronic acid|uridine-5'-diphosphoglucuronic acid http://purl.obolibrary.org/obo/CHEBI_197331 3_STAR
CHEBI:197387 biolink:ChemicalSubstance hexadecanol A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of sixteen carbon atoms. CAS:29354-98-1 phenio.json hexadecanols|hydroxyhexadecane|hydroxyhexadecanes http://purl.obolibrary.org/obo/CHEBI_197387 3_STAR
CHEBI:197411 biolink:ChemicalSubstance sn-glycero-1-phospho-(1'-sn-glycerol)(1-) A glycerophosphoglycerol(1-) having (S,S)-configuration. PMID:37708259 phenio.json sn-glycero-1-phospho-(1'-sn-glycerol) http://purl.obolibrary.org/obo/CHEBI_197411 2_STAR
CHEBI:197424 biolink:ChemicalSubstance SB 290157 Antagonist of C3aR CAS:1140525-25-2|PMID:11342658|PMID:15944244|PMID:16154494|PMID:20051658|PMID:33073351|PMID:33551801 phenio.json N(2)-[(2,2-diphenylethoxy)acetyl]-L-arginine trifluoroacetate|N(2)-[2-(2,2-Diphenylethoxy)acetyl]-L-arginine trifluoroacetate salt|N2-[2-(2,2-diphenylethoxy)acetyl]-L-arginine, 2,2,2-trifluoroacetate|SB 290157 trifluoroacetate salt|SB-290157|SB290157|SB290157 trifluoroacetate http://purl.obolibrary.org/obo/CHEBI_197424 2_STAR
CHEBI:197438 biolink:ChemicalSubstance SR11302 A retinoid that is all-trans-retinoic acid in which the methyl group at position 9 is replaced by a 4-methylphenyl group. It is an inhibitor of activator protein-1 which exhibits antitumour effects in vivo. CAS:160162-42-5|PMID:21515313|PMID:23760290|PMID:24587316|PMID:24831826|PMID:25001622|PMID:26908177|PMID:27490694|PMID:29177791|PMID:31392841|PMID:33119185|PMID:33794365|PMID:35559742|PMID:35966011|PMID:36035373|PMID:36670963|PMID:36898276|PMID:37707834|PMID:9159159 phenio.json (2E,4E,6Z,8E)-3-methyl-7-(4-methylphenyl)-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid|(2E,4E,6Z,8E)-3-methyl-7-(p-tolyl)-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid|(E,E,Z,E)-3-methyl-7-(4-methylphenyl)-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid|SR 11302|SR-11303 http://purl.obolibrary.org/obo/CHEBI_197438 3_STAR
CHEBI:197449 biolink:ChemicalSubstance NMR solvent A solvent used in nuclear magnetic resonance (NMR) spectroscopy. phenio.json NMR solvents|NMR-Loesemittel|NMR-Loesungsmittel http://purl.obolibrary.org/obo/CHEBI_197449 3_STAR
CHEBI:197457 biolink:ChemicalSubstance octadecanol A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of eighteen carbon atoms. phenio.json hydroxyoctadecane|hydroxyoctadecanes|octadecanols http://purl.obolibrary.org/obo/CHEBI_197457 3_STAR
CHEBI:197480 biolink:ChemicalSubstance icosanol A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of twenty carbon atoms. phenio.json eicosanol|eicosanols|icosanols http://purl.obolibrary.org/obo/CHEBI_197480 3_STAR
CHEBI:197504 biolink:ChemicalSubstance very long-chain fatty alcohol A fatty alcohol which has a chain length between C23 and C27. phenio.json a very long-chain fatty alcohol|very long chain fatty alcohol|very long chain fatty alcohols|very long-chain fatty alcohols http://purl.obolibrary.org/obo/CHEBI_197504 3_STAR
CHEBI:197506 biolink:ChemicalSubstance medium-chain fatty alcohol Any fatty alcohol with a chain length between C6 and C12. phenio.json medium-chain fatty alcohols http://purl.obolibrary.org/obo/CHEBI_197506 3_STAR
CHEBI:197507 biolink:ChemicalSubstance short-chain fatty alcohol A fatty alcohol with a chain length of less than C6. phenio.json short-chain fatty alcohols http://purl.obolibrary.org/obo/CHEBI_197507 3_STAR
CHEBI:19763 biolink:ChemicalSubstance 2-phosphoglycolate phenio.json http://purl.obolibrary.org/obo/CHEBI_19763 1_STAR
CHEBI:19775 biolink:ChemicalSubstance quinaldate A quinolinemonocarboxylate that is the conjugate base of quinaldic acid; major species at pH 7.3. Beilstein:329846|Reaxys:3905706 phenio.json quinaldate|quinaldate anion|quinaldate(1-)|quinoline-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_19775 3_STAR
CHEBI:197994 biolink:ChemicalSubstance Demethylasterriquinone B1 Chemspider:2281897|HMDB:HMDB0250991 phenio.json 2,5-dihydroxy-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-6-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione http://purl.obolibrary.org/obo/CHEBI_197994 2_STAR
CHEBI:19813 biolink:ChemicalSubstance 24-methylenecycloartenol phenio.json http://purl.obolibrary.org/obo/CHEBI_19813 1_STAR
CHEBI:198192 biolink:ChemicalSubstance Ruthmycin Chemspider:30830036 phenio.json 2-[(1R,9R,12R,14R)-4,9-dihydroxy-2,16-dioxo-14-propyl-13-oxatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6,10-tetraen-12-yl]acetic acid http://purl.obolibrary.org/obo/CHEBI_198192 2_STAR
CHEBI:19834 biolink:ChemicalSubstance 3',5'-cyclic purine nucleotide phenio.json 3',5'-cyclic purine nucleotides http://purl.obolibrary.org/obo/CHEBI_19834 3_STAR
CHEBI:19835 biolink:ChemicalSubstance 3',5'-cyclic pyrimidine nucleotide phenio.json 3',5'-cyclic pyrimidine nucleotides http://purl.obolibrary.org/obo/CHEBI_19835 3_STAR
CHEBI:198427 biolink:ChemicalSubstance Vicanicin Chemspider:287195 phenio.json 2,8-dichloro-9-hydroxy-3-methoxy-1,4,7,10-tetramethylbenzo[b][1,4]benzodioxepin-6-one http://purl.obolibrary.org/obo/CHEBI_198427 2_STAR
CHEBI:1989 biolink:ChemicalSubstance (6R)-5,10-methylenetetrahydrofolic acid The (6R)-stereoisomer of 5,10-methylenetetrahydrofolic acid. CAS:3432-99-3|KEGG:C00143|KNApSAcK:C00007250|Reaxys:5467239 phenio.json (6R)-5,10-Methylenetetrahydrofolate|5,10-Methylene-THF|5,10-Methylenetetrahydrofolate|5,10-methylenetetrahydrofolic acid|N-{4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid http://purl.obolibrary.org/obo/CHEBI_1989 3_STAR
CHEBI:19891 biolink:ChemicalSubstance 3,4-dihydroxyphenylpyruvic acid A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,4-dihydroxyphenyl group. CAS:4228-66-4|KEGG:C04045|PMID:7164823|PMID:8773780|Reaxys:2695044 phenio.json 3,4-Dihydroxyphenylpyruvate|3,4-dihydroxy-alpha-oxobenzenepropanoic acid|3-(3,4-dihydroxyphenyl)-2-oxopropanoic acid|DHPPA http://purl.obolibrary.org/obo/CHEBI_19891 3_STAR
CHEBI:19929 biolink:ChemicalSubstance 3-hydroxy-3-phenylpropionic acid A 3-hydroxy carboxylic acid that is 3-phenylpropionic acid in which one of the hydrogens beta to the carboxy group is replaced by a hydroxy group. MetaCyc:CPD-12218|PMID:11219576|Reaxys:3197774 phenio.json 3-hydroxy-3-phenylpropanoic acid http://purl.obolibrary.org/obo/CHEBI_19929 3_STAR
CHEBI:199329 biolink:ChemicalSubstance Inotodiol Chemspider:23282401 phenio.json (3S,5R,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol http://purl.obolibrary.org/obo/CHEBI_199329 2_STAR
CHEBI:19946 biolink:ChemicalSubstance xylosylglycoside phenio.json xylosylglycoside|xylosylglycosides http://purl.obolibrary.org/obo/CHEBI_19946 3_STAR
CHEBI:19950 biolink:ChemicalSubstance 3-O-methylgallate A member of the class of benzoates that results from the removal of a proton from the carboxylic acid group of 3-O-methylgallic acid. phenio.json 3,4-dihydroxy-5-methoxybenzoate|3-O-methylgallate|4,5-Dihydroxy-m-anisate http://purl.obolibrary.org/obo/CHEBI_19950 3_STAR
CHEBI:19960 biolink:ChemicalSubstance 3-amino-3-(4-hydroxyphenyl)propanoate A beta-amino-acid anion that is the conjugate base of 3-amino-3-(4-hydroxyphenyl)propanoic acid, arising from deprotonation of the carboxy group. MetaCyc:CPD-232 phenio.json 3-amino-3-(4-hydroxyphenyl)propanoate|3-amino-3-(4-hydroxyphenyl)propanoate anion|3-amino-3-(4-hydroxyphenyl)propanoate(1-)|3-amino-3-(4-hydroxyphenyl)propionate|3-amino-3-(4-hydroxyphenyl)propionate anion|3-amino-3-(4-hydroxyphenyl)propionate(1-) http://purl.obolibrary.org/obo/CHEBI_19960 3_STAR
CHEBI:19982 biolink:ChemicalSubstance 3-chloroacrylic acid A chlorocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is substituted by chlorine. CAS:2345-61-1|KEGG:C06614|Reaxys:14713319 phenio.json 3-chloro-2-propenoic acids|3-chloroacrylic acids|3-chloroprop-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_19982 3_STAR
CHEBI:20 biolink:ChemicalSubstance (+)-camphene A camphene (2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane) that has R configuration at position 1 and S configuration at position 4. Beilstein:2323386|CAS:5794-03-6|KEGG:C06304|KNApSAcK:C00000818|LIPID_MAPS_instance:LMPR0102120011|Reaxys:5240568 phenio.json (+)-Camphene|(+)-Comphene|(1R)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane|(1R,4S)-(+)-camphene|(1R,4S)-2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane|(1R,4S)-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane|(1R,4S)-camphene|d-camphene http://purl.obolibrary.org/obo/CHEBI_20 3_STAR
CHEBI:20012 biolink:ChemicalSubstance 3-enoyl-CoA Generic name for any derivative of coenzyme A in which the thiol group is in thioester linkage with an acyl group containing a C=C double bond beta to the thioester linkage. phenio.json 3-enoyl-CoAs http://purl.obolibrary.org/obo/CHEBI_20012 3_STAR
CHEBI:20016 biolink:ChemicalSubstance 3-ethylcatechols phenio.json http://purl.obolibrary.org/obo/CHEBI_20016 1_STAR
CHEBI:2003 biolink:ChemicalSubstance 5,6-dihydroxyindole-2-carboxylic acid A dihydroxyindole that is indole-2-carboxylic acid substituted by hydroxy groups at positions 5 and 6. CAS:4790-08-3|KEGG:C04185|PMID:25450182|Reaxys:168167 phenio.json 5,6-DHICA|5,6-Dihydroxyindole-2-carboxylate|5,6-dihydroxy-1H-indole-2-carboxylic acid|5,6-dihydroxy-2-indolecarboxylic acid|5,6-dihydroxy-2-indolylcarboxylic acid|DHI2C|DHICA http://purl.obolibrary.org/obo/CHEBI_2003 3_STAR
CHEBI:20056 biolink:ChemicalSubstance 3-hydroxy-L-proline The L-stereoisomer of 3-hydroxyproline. CAS:567-36-2 phenio.json 3-Hydroxyproline|3-hydroxy-L-proline http://purl.obolibrary.org/obo/CHEBI_20056 3_STAR
CHEBI:20060 biolink:ChemicalSubstance 3-hydroxy fatty acyl-CoA A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any 3-hydroxy fatty acid. PMID:12106015|PMID:1778900|PMID:20583174|PMID:20670938|PMID:20923481|PMID:21502722|PMID:7552767 phenio.json 3-hydroxy fatty acyl CoA|3-hydroxy fatty acyl CoAs|3-hydroxy fatty acyl coenzyme A|3-hydroxy fatty acyl coenzyme As|3-hydroxyacyl-CoAs|beta-hydroxy fatty acyl-CoA|beta-hydroxy fatty acyl-CoAs|beta-hydroxy fatty acyl-coenzyme A|beta-hydroxy fatty acyl-coenzyme As|beta-hydroxyacyl-CoA|beta-hydroxyacyl-CoAs|beta-hydroxyacyl-coenzyme A|beta-hydroxyacyl-coenzyme As http://purl.obolibrary.org/obo/CHEBI_20060 3_STAR
CHEBI:20067 biolink:ChemicalSubstance 3-hydroxybutyric acid A straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics. CAS:300-85-6|HMDB:HMDB0000357|LIPID_MAPS_instance:LMFA01050005|PMID:10855969|PMID:17190852|PMID:17579249|PMID:6061736|Reaxys:773861|Wikipedia:3-hydroxybutyrate phenio.json (1)-3-Hydroxybutyric acid|3 HBA|3-Hydroxybuttersaeure|3-OH-butyric acid|3-hydroxybutanoic acid|BHBA|DL-beta-Hydroxybutyric acid|beta-Hydroxy-n-butyric acid|beta-Hydroxybuttersaeure|beta-hydroxy-n-butyric acid|beta-hydroxybutanoic acid|beta-hydroxybutyric acid http://purl.obolibrary.org/obo/CHEBI_20067 3_STAR
CHEBI:20070 biolink:ChemicalSubstance 3-hydroxyhexanoate phenio.json http://purl.obolibrary.org/obo/CHEBI_20070 3_STAR
CHEBI:20106 biolink:ChemicalSubstance vanillylmandelic acid An aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid. CAS:55-10-7|HMDB:HMDB0000291|KEGG:C05584|MetaCyc:VANILLYL_MANDELATE|PMID:13756637|PMID:23112240|PMID:23399766|PMID:23830883|PMID:24327171|Reaxys:2213227|Wikipedia:Vanillylmandelic_acid phenio.json 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid|3-methoxy-4-hydroxymandelic acid|Vanillylmandelic acid|Vanilmandelic acid|hydroxy(4-hydroxy-3-methoxyphenyl)acetic acid http://purl.obolibrary.org/obo/CHEBI_20106 3_STAR
CHEBI:201376 biolink:ChemicalSubstance Desethyl KBT-3022 Chemspider:113311|HMDB:HMDB0251035 phenio.json 2-[2-[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]acetic acid http://purl.obolibrary.org/obo/CHEBI_201376 2_STAR
CHEBI:201396 biolink:ChemicalSubstance Milbemycin oxime phenio.json 6'-ethyl-24-hydroxy-21-hydroxyimino-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;24-hydroxy-21-hydroxyimino-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one http://purl.obolibrary.org/obo/CHEBI_201396 2_STAR
CHEBI:20140 biolink:ChemicalSubstance 3-methylquinoline Beilstein:110325|CAS:612-58-8|UM-BBD_compID:c0070 phenio.json 3-Methyl-1-benzazine|3-methylquinoline http://purl.obolibrary.org/obo/CHEBI_20140 3_STAR
CHEBI:201428 biolink:ChemicalSubstance Cecropin A Chemspider:17289004 phenio.json (4S)-5-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-5-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoic acid http://purl.obolibrary.org/obo/CHEBI_201428 2_STAR
CHEBI:20156 biolink:ChemicalSubstance 3-oxo-Delta(1) steroid Any 3-oxo steroid that contains a double bond between positions 1 and 2. KEGG:C02941|MetaCyc:3-Oxo-Delta-1-Steroids phenio.json 3-keto-Delta(1) steroid|3-keto-Delta(1) steroids|3-oxo Delta(1)-steroid|3-oxo Delta(1)-steroids|3-oxo-Delta(1) steroid|3-oxo-Delta(1) steroids|3-oxo-Delta(1)-steroids|3-oxo-Delta1-steroid|3-oxo-Delta1-steroids|a 3-oxo-Delta(1)-steroid http://purl.obolibrary.org/obo/CHEBI_20156 3_STAR
CHEBI:201674 biolink:ChemicalSubstance Icaritin Chemspider:4477409|DrugBank:DB12672 phenio.json 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one http://purl.obolibrary.org/obo/CHEBI_201674 2_STAR
CHEBI:201779 biolink:ChemicalSubstance Nemadectin phenio.json (6R,24S)-4',21,24-trihydroxy-5',11,13,22-tetramethyl-6'-(4-methylpent-2-en-2-yl)spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one http://purl.obolibrary.org/obo/CHEBI_201779 2_STAR
CHEBI:20265 biolink:ChemicalSubstance lanostane Beilstein:3137145|CAS:474-20-4 phenio.json (5alpha)-4,4,14-trimethylcholestane|4,4,14-trimethylcholestane|[5S-[5alpha,8beta,9alpha,10beta,13beta,14alpha,17beta(S*)]]-17-(1,5-dimethylhexyl)hexadecahydro-4,4,10,13,14-pentamethyl-1H-cyclopenta[a]phenanthrene|lanostane http://purl.obolibrary.org/obo/CHEBI_20265 3_STAR
CHEBI:202791 biolink:ChemicalSubstance Ankaflavin Chemspider:78444976 phenio.json 9a-methyl-3-octanoyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrouro[3,2-g]isochromene-2,9-dione http://purl.obolibrary.org/obo/CHEBI_202791 2_STAR
CHEBI:202940 biolink:ChemicalSubstance carbovir Cyclopent-2-en-1-ylmethanol in which the 4-position is substituted by a 2-amino-6-hydroxy-9H-purin-9-yl group such that the two substitutents on the cyclopentene ring are in a cis relationship. The (-)-enantiomer, also known as carbovir, is a potent inhibitor of HIV replication replication in cell cultures. CAS:118353-05-2|PMID:15916425|PMID:18549801|PMID:2296018 phenio.json (+-)-carbovir|2-amino-9-[rel-(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1,9-dihydro-6H-purin-6-one|2-amino-9-[rel-(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-9H-purin-6-ol|carbovir|cis-(+-)-2-amino-1,9-dihydro-9-(4-(hydroxymethyl)-2-cyclopenten-1-yl)-6H-purin-6-one|cis-2-amino-1,9-dihydro-9-(4-(hydroxymethyl)-2-cyclopenten-1-yl)-6H-purin-6-one|cis-2-amino-9-(4-hydroxymethylcyclopent-2-enyl)-9H-purin-6-ol http://purl.obolibrary.org/obo/CHEBI_202940 3_STAR
CHEBI:20346 biolink:ChemicalSubstance cinnamyl alcohol beta-D-glucoside phenio.json cinnamyl alcohol beta-D-glucoside|cinnamyl alcohol beta-D-glucosides http://purl.obolibrary.org/obo/CHEBI_20346 3_STAR
CHEBI:203600 biolink:ChemicalSubstance 1D-myo-inositol 1,4,5-trisphosphate(6-) Hexaanion of 1D-myo-inositol 1,4,5-trisphosphate arising from glabal deprotonation of the phosphate OH groups; major species at pH 7.3. Beilstein:4303027 phenio.json 1D-myo-inositol 1,4,5-triphosphate hexaanion|1D-myo-inositol 1,4,5-triphosphate(6-)|1D-myo-inositol 1,4,5-tris(phosphate)|1D-myo-inositol 1,4,5-trisphosphate|1D-myo-inositol 1,4,5-trisphosphate hexaanion http://purl.obolibrary.org/obo/CHEBI_203600 3_STAR
CHEBI:20361 biolink:ChemicalSubstance (4-deoxygluc-4-enosyluronic acid)-(1->3)-N-acetyl-D-galactosamine sulfate phenio.json http://purl.obolibrary.org/obo/CHEBI_20361 1_STAR
CHEBI:2038 biolink:ChemicalSubstance 5-azacytidine An N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used in the treatment of myeloid leukaemia. CAS:320-67-2|DrugBank:DB00928|Drug_Central:25|HMDB:HMDB0015063|KEGG:C11262|KEGG:D03021|LINCS:LSM-5218|PMID:11841042|PMID:15962522|PMID:17611569|PMID:28131982|PMID:28415666|PMID:28486212|PMID:29438107|Patent:KR20140069225|Patent:US2015038444|Reaxys:620461|Wikipedia:Azacitidine phenio.json 4-Amino-1-beta-D-ribofuranosyl-s-triazin-2(1H)-one|4-amino-1-beta-D-ribofuranosyl-1,3,5-triazin-2(1H)-one|5-Azacytidine|5-azacytidine|Azacitidine|azacitidina|azacitidinum http://purl.obolibrary.org/obo/CHEBI_2038 3_STAR
CHEBI:20391 biolink:ChemicalSubstance 4-hydroxy-L-lysine A hydroxy-L-lysine that is L-lysine carrying a hydroxy substituent at position 4. phenio.json http://purl.obolibrary.org/obo/CHEBI_20391 3_STAR
CHEBI:20392 biolink:ChemicalSubstance 4-hydroxyproline A monohydroxyproline where the hydroxy group is located at the 4-position. It is found in fibrillar collagen. PMID:21988268|PMID:24563386|PMID:24695516|PMID:436278|Wikipedia:Hydroxyproline phenio.json 4-hydroxyproline|4Hyp http://purl.obolibrary.org/obo/CHEBI_20392 3_STAR
CHEBI:20432 biolink:ChemicalSubstance imidazolone phenio.json imidazolones http://purl.obolibrary.org/obo/CHEBI_20432 3_STAR
CHEBI:20441 biolink:ChemicalSubstance 4-(methylamino)butyrate An aza fatty acid anion and the conjugate base of 4-(methylamino)butyric acid. CAS:1119-48-8|UM-BBD_compID:c0474 phenio.json 4-(N-methylamino)butyric acid|4-(methylamino)butanoate|4-methylaminobutyrate|gamma-methylaminobutyrate http://purl.obolibrary.org/obo/CHEBI_20441 3_STAR
CHEBI:204734 biolink:ChemicalSubstance desonide Triamcinolone acetonide with hydrogen instead of the fluorine substituent at position 9. A corticosteroid anti-inflammatory, it is used topically as a cream, ointment or lotion for the treatment of various skin disorders. Beilstein:56987|CAS:638-94-8|DrugBank:DB01260|Drug_Central:3135|KEGG:D03696|PMID:3783574|PMID:6827553|Patent:US2990401|Patent:US3536586|Patent:US3549498|Wikipedia:Desonide phenio.json (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one|11beta,21-dihydroxy-16alpha,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione|11beta,21-dihydroxy-16alpha,17-isopropylidenedioxypregna-1,4-diene-3,20-dione|11beta,21-dihydroxy-16alpha,17alpha-isopropylidenedioxypregna-1,4-diene-3,20-dione|16alpha,17alpha-isopropylidenedioxyprednisolone|16alpha-hydroxyprednisole-16,17-acetonide|16alpha-hydroxyprednisolone-16alpha,17-acetonide|desfluorotriamcinolone acetonide|desonida|desonide|desonidum http://purl.obolibrary.org/obo/CHEBI_204734 3_STAR
CHEBI:204745 biolink:ChemicalSubstance Versicolin Chemspider:170651 phenio.json 3-methylbenzene-1,2,4-triol http://purl.obolibrary.org/obo/CHEBI_204745 2_STAR
CHEBI:20476 biolink:ChemicalSubstance 4-sulfonatobenzoate(2-) A doubly-charged sulfonatobenzoate consisting of benzoate having a sufonato group at the 4-position. KEGG:C02236|UM-BBD_compID:c0304 phenio.json (-)O3S-C6H4-COO(-)|4-sulfobenzoate|4-sulfonatobenzoate|4-sulphonatobenzoate http://purl.obolibrary.org/obo/CHEBI_20476 3_STAR
CHEBI:20479 biolink:ChemicalSubstance (5-oxo-2-sulfonato-2,5-dihydrofuran-2-yl)acetate UM-BBD_compID:c0553 phenio.json (5-oxo-2-sulfonato-2,5-dihydrofuran-2-yl)acetate|4-carboxymethyl-4-sulfobut-2-en-4-olide|4-sulfolactone|4-sulfomuconolactone http://purl.obolibrary.org/obo/CHEBI_20479 3_STAR
CHEBI:204847 biolink:ChemicalSubstance Eurystatin A Chemspider:8131043 phenio.json (E)-6-methyl-N-[7-methyl-3-(2-methylpropyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]hept-2-enamide http://purl.obolibrary.org/obo/CHEBI_204847 2_STAR
CHEBI:20485 biolink:ChemicalSubstance 4-pyridones Any pyridone that is pyridin-4-one or its derivatives by substitution of one of more of the hydrogens. phenio.json 4H-pyrid-4-ones|pyridin-4-ones http://purl.obolibrary.org/obo/CHEBI_20485 3_STAR
CHEBI:204928 biolink:ChemicalSubstance cefotaxime A cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups. Beilstein:1096643|CAS:63527-52-6|DrugBank:DB00493|Drug_Central:546|KEGG:C06885|KEGG:D07647|PDBeChem:CE3|PMID:10866367|PMID:11034276|PMID:11061623|PMID:11677129|PMID:12833570|PMID:1384868|PMID:14512220|PMID:1502708|PMID:15164972|PMID:15361989|PMID:15969234|PMID:1635063|PMID:17006042|PMID:17386217|PMID:18611527|PMID:19741292|PMID:21425867|PMID:24038683|PMID:24211456|PMID:29017833|PMID:9131470|Patent:DE2556736|Patent:DE2702501|Patent:US4098888|Patent:US4152432|Reaxys:1096643|Wikipedia:Cefotaxime phenio.json (6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-3-Acetoxymethyl-7-{2-(2-amino-thiazol-4-yl)-2-[(Z)-methoxyimino]-acetylamino}-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R,Z)-3-(acetoxymethyl)-7-(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylic acid|Cephotaxime|cefotaxima|cefotaxime|cefotaximum http://purl.obolibrary.org/obo/CHEBI_204928 3_STAR
CHEBI:20502 biolink:ChemicalSubstance 5,10-methylenetetrahydrofolic acid Beilstein:72305 phenio.json N-{4-[3-amino-1-oxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzoyl}-L-glutamic acid http://purl.obolibrary.org/obo/CHEBI_20502 3_STAR
CHEBI:20506 biolink:ChemicalSubstance 5,6,7,8-tetrahydrofolic acid Beilstein:101189|CAS:135-16-0|DrugBank:DB00116|KEGG:C00101|KNApSAcK:C00007249 phenio.json (6S)-THFA|(6S)-Tetrahydrofolate|(6S)-Tetrahydrofolic acid|5,6,7,8-Tetrahydrofolate|5,6,7,8-tetrahydrofolic acid|N-[4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl]-L-glutamic acid|THF|Tetrahydrofolic acid|tetrahydrofolate|tetrahydrofolic acid http://purl.obolibrary.org/obo/CHEBI_20506 3_STAR
CHEBI:20515 biolink:ChemicalSubstance 5,6-dioxidoindole-2-carboxylate Gmelin:2470948 phenio.json 5,6-dioxido-1H-indole-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_20515 3_STAR
CHEBI:20551 biolink:ChemicalSubstance mesalaminate(1-) A hydroxybenzoate that is the conjugate base of mesalamine, arising from deprotonation of the carboxy group. Reaxys:8144503|UM-BBD_compID:c0732 phenio.json 5-amino-2-hydroxybenzoate|5-aminosalicylate|5-aminosalicylate anion|5-aminosalicylate(1-)|mesalaminate|mesalaminate anion http://purl.obolibrary.org/obo/CHEBI_20551 3_STAR
CHEBI:205528 biolink:ChemicalSubstance isosilybin A Chemspider:9235077|KNApSAcK:C00039453|LIPID_MAPS_instance:LMPK12140713|PMID:16631762|PMID:17389612|PMID:17764149|PMID:20721970|PMID:23116206|PMID:23461697|PMID:24456525|PMID:24597776|PMID:34318464 phenio.json (+)-isosilybin A|(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-1-benzopyran-4-one|(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydro-4H-chromen-4-one|(2R,3R)-3,5,7-trihydroxy-2-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one http://purl.obolibrary.org/obo/CHEBI_205528 2_STAR
CHEBI:20569 biolink:ChemicalSubstance EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitor An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of 3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19). phenio.json 3-enol-pyruvoylshikimate-5-phosphate synthase inhibitor|3-enol-pyruvoylshikimate-5-phosphate synthase inhibitors|3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitor|3-phosphoshikimate 1-carboxyvinyltransferase (EC 2.5.1.19) inhibitors|3-phosphoshikimate 1-carboxyvinyltransferase inhibitor|3-phosphoshikimate 1-carboxyvinyltransferase inhibitors|5-enolpyruvylshikimate-3-phosphate synthase inhibitor|5-enolpyruvylshikimate-3-phosphate synthase inhibitors|EC 2.5.1.19 (3-phosphoshikimate 1-carboxyvinyltransferase) inhibitors|EC 2.5.1.19 inhibitor|EC 2.5.1.19 inhibitors|EPSP synthase inhibitor|EPSP synthase inhibitors|phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitor|phosphoenolpyruvate:3-phosphoshikimate 5-O-(1-carboxyvinyl)-transferase inhibitors http://purl.obolibrary.org/obo/CHEBI_20569 3_STAR
CHEBI:20570 biolink:ChemicalSubstance 5-hydroxycamphor A cyclic monoterpene ketone that is camphor bearing a hydroxy substituent at position 5. KEGG:C03448|Reaxys:3197243 phenio.json 5-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one|5-hydroxybornan-2-one http://purl.obolibrary.org/obo/CHEBI_20570 3_STAR
CHEBI:205919 biolink:ChemicalSubstance clobetasol A 3-oxo-Delta(1),Delta(4)-steroid that is 16beta-methylpregna-1,4-diene-3,20-dione bearing hydroxy groups at the 11beta and 17alpha positions, fluorine at position 9, and a chlorine substituent at position 21. It is used as its 17alpha-propionate ester to treat various skin disorders, including exzema and psoriasis. Beilstein:6748271|CAS:25122-41-2|DrugBank:DB01013|KEGG:D07715|PMID:26658258|PMID:27012570|Patent:DE1902340|Patent:US3721687 phenio.json (11beta,16beta)-21-chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione|21-chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione|clobetasol|clobetasolum http://purl.obolibrary.org/obo/CHEBI_205919 3_STAR
CHEBI:20607 biolink:ChemicalSubstance 5-methylcytidine Beilstein:89657|CAS:2140-61-6 phenio.json http://purl.obolibrary.org/obo/CHEBI_20607 3_STAR
CHEBI:20612 biolink:ChemicalSubstance 5-methyltetrahydrofolate A group of heterocyclic compounds based on the 5-methyl-5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid or L-glutamate units. phenio.json 5-methyltetrahydrofolates http://purl.obolibrary.org/obo/CHEBI_20612 3_STAR
CHEBI:20629 biolink:ChemicalSubstance 5-phosphoribosyl-ATP phenio.json (5-phosphoribofuranosyl)adenosine 5'-(tetrahydrogen triphosphate)|5-phosphoribosyl-ATPs http://purl.obolibrary.org/obo/CHEBI_20629 3_STAR
CHEBI:20642 biolink:ChemicalSubstance 5alpha-cholane Beilstein:2048471 phenio.json 5alpha-cholane http://purl.obolibrary.org/obo/CHEBI_20642 3_STAR
CHEBI:20652 biolink:ChemicalSubstance 5alpha-ergostane Beilstein:3203417|CAS:511-20-6 phenio.json 5alpha-ergostane|ergostane http://purl.obolibrary.org/obo/CHEBI_20652 3_STAR
CHEBI:20656 biolink:ChemicalSubstance 5alpha-pregnane Beilstein:2502007|CAS:641-85-0 phenio.json 5alpha-pregnane|allopregnane http://purl.obolibrary.org/obo/CHEBI_20656 3_STAR
CHEBI:20659 biolink:ChemicalSubstance 5beta-androstane The 5beta-stereoisomer of androstane. Reaxys:2500892 phenio.json 5beta-androstane http://purl.obolibrary.org/obo/CHEBI_20659 3_STAR
CHEBI:20664 biolink:ChemicalSubstance 5beta-cholane Beilstein:2048472 phenio.json 5beta-cholane http://purl.obolibrary.org/obo/CHEBI_20664 3_STAR
CHEBI:20674 biolink:ChemicalSubstance 5beta-pregnane Beilstein:2502008|CAS:481-26-5|KEGG:C01523 phenio.json 5beta-pregnane http://purl.obolibrary.org/obo/CHEBI_20674 3_STAR
CHEBI:20680 biolink:ChemicalSubstance 6,7-dihydrobiopterin phenio.json 2-amino-6-(1,2-dihydroxypropyl)-7,8-dihydropteridin-4(6H)-one|6,7-Dihydrobiopterin|6,7-dihydrobiopterin|Dihydrobiopterin|Quinoid-dihydrobiopterin|q-dihydrobiopterin|quinoid-dihydrobiopterin http://purl.obolibrary.org/obo/CHEBI_20680 3_STAR
CHEBI:20702 biolink:ChemicalSubstance 2-aminopurines Any aminopurine having the amino substituent at the 2-position. phenio.json 2-aminopurines http://purl.obolibrary.org/obo/CHEBI_20702 3_STAR
CHEBI:20706 biolink:ChemicalSubstance 6-aminopurines Any compound having 6-aminopurine (adenine) as part of its structure. PMID:1646334|PMID:18524423|PMID:7342604 phenio.json 6-aminopurines http://purl.obolibrary.org/obo/CHEBI_20706 3_STAR
CHEBI:207229 biolink:ChemicalSubstance dihydroartemisinin A sesquiterpenoid compound which is used as a drug for treatment of malaria. Beilstein:4185848|PMID:10893313|PMID:3669021 phenio.json (3R,5aS,6R,8aS,9R,12R,12aR)-3,6,9-trimethyldecahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10-ol|1,5,9-trimethyl-(1R,4S,5R,8S,9R,10S,12R,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol(Dihydroartemisinin) http://purl.obolibrary.org/obo/CHEBI_207229 3_STAR
CHEBI:20725 biolink:ChemicalSubstance 6-hydroxydopa CAS:21373-30-8 phenio.json 2,4,5-trihydroxyphenylalanine|2,5-dihydroxytyrosine|2-amino-3-(2,4,5-trihydroxyphenyl)propanoic acid|3,4,6-topa|3,4,6-trihydroxyphenylalanine|6-OHdopa http://purl.obolibrary.org/obo/CHEBI_20725 3_STAR
CHEBI:20750 biolink:ChemicalSubstance 6-phospho-2-dehydro-D-gluconate(3-) Beilstein:6609981 phenio.json 6-O-phosphonato-D-arabino-hex-2-ulosonate|6-O-phosphonato-D-fructosonate|6-phospho-2-dehydro-D-gluconate http://purl.obolibrary.org/obo/CHEBI_20750 3_STAR
CHEBI:20794 biolink:ChemicalSubstance 7-methylguanosine A positively charged methylguanosine in which a single methyl substituent is located at position 7. CAS:20244-86-4|DrugBank:DB03493|HMDB:HMDB0001107|MetaCyc:CPD0-1041|PDBeChem:MG7|PMID:22770225|Reaxys:3631436|Wikipedia:7-Methylguanosine phenio.json 2-amino-9-(beta-D-ribofuranosyl)-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium|2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium|7-methylguanosine|G|N(7)-methylguanosine|m7g http://purl.obolibrary.org/obo/CHEBI_20794 3_STAR
CHEBI:20805 biolink:ChemicalSubstance (+)-8'-hydroxyabscisic acid The 8'-hydroxylated derivative of (+)-abscisic acid. KEGG:C15514 phenio.json (2Z,4E)-5-[(1R,6R)-1-hydroxy-6-(hydroxymethyl)-2,6-dimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid http://purl.obolibrary.org/obo/CHEBI_20805 3_STAR
CHEBI:20814 biolink:ChemicalSubstance phenanthrene-9,10-diol Beilstein:2370333|CAS:604-84-2|UM-BBD_compID:c0541 phenio.json 9,10-dihydroxyphenanthrene|9,10-phenanthrenediol|phenanthrene-9,10-diol http://purl.obolibrary.org/obo/CHEBI_20814 3_STAR
CHEBI:20847 biolink:ChemicalSubstance ADP-glycero-D-manno-heptose phenio.json adenine 5'-[3-(glycero-D-manno-heptopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_20847 3_STAR
CHEBI:20853 biolink:ChemicalSubstance AMP-sugar phenio.json AMP-sugar|AMP-sugars http://purl.obolibrary.org/obo/CHEBI_20853 3_STAR
CHEBI:20854 biolink:ChemicalSubstance ATP synthase inhibitor A mitochondrial respiratory-chain inhibitor that interferes with the action of ATP synthase. phenio.json http://purl.obolibrary.org/obo/CHEBI_20854 3_STAR
CHEBI:20855 biolink:ChemicalSubstance ATP-sugar phenio.json ATP-sugar|ATP-sugars http://purl.obolibrary.org/obo/CHEBI_20855 3_STAR
CHEBI:20857 biolink:ChemicalSubstance C-glycosyl compound A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a carbon atom, thus creating a C-C bond. phenio.json C-glycoside|C-glycosides|C-glycosyl compounds http://purl.obolibrary.org/obo/CHEBI_20857 3_STAR
CHEBI:20858 biolink:ChemicalSubstance C19-gibberellin phenio.json C19-gibberellins http://purl.obolibrary.org/obo/CHEBI_20858 3_STAR
CHEBI:20859 biolink:ChemicalSubstance C20-gibberellin phenio.json C20-gibberellins http://purl.obolibrary.org/obo/CHEBI_20859 3_STAR
CHEBI:20873 biolink:ChemicalSubstance CDP-sugar A pyrimidine nucleotide-sugar having CDP as the nucleotide component attached to an unspecified sugar via an anomeric diphosphate linkage. phenio.json CDP-sugar|CDP-sugars http://purl.obolibrary.org/obo/CHEBI_20873 3_STAR
CHEBI:20878 biolink:ChemicalSubstance CMP-sugar A pyrimidine nucleotide-sugar having CMP as the nucleotide component attached to an unspecified sugar via an anomeric diphosphate linkage. phenio.json CMP-sugar|CMP-sugars http://purl.obolibrary.org/obo/CHEBI_20878 3_STAR
CHEBI:20891 biolink:ChemicalSubstance (R)-4'-phosphopantothenate(2-) Beilstein:9284851 phenio.json 3-[(2R)-2-hydroxy-4-[(hydroxyphosphinato)oxy]-3,3-dimethylbutanamido]propanoate http://purl.obolibrary.org/obo/CHEBI_20891 3_STAR
CHEBI:20899 biolink:ChemicalSubstance D-alloisoleucine Beilstein:1721794|CAS:1509-35-9|Gmelin:1317451 phenio.json (2R,3S)-2-amino-3-methylpentanoic acid|D-alloisoleucine|allo-D-isoleucine http://purl.obolibrary.org/obo/CHEBI_20899 3_STAR
CHEBI:20902 biolink:ChemicalSubstance allose phosphate phenio.json allose phosphate|allose phosphates http://purl.obolibrary.org/obo/CHEBI_20902 3_STAR
CHEBI:20912 biolink:ChemicalSubstance D-arabinonic acid Beilstein:1724262|CAS:488-30-2 phenio.json D-Arabonic acid http://purl.obolibrary.org/obo/CHEBI_20912 3_STAR
CHEBI:20937 biolink:ChemicalSubstance D-fructuronic acid phenio.json D-fructuronic acid|D-lyxo-hex-5-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_20937 3_STAR
CHEBI:20954 biolink:ChemicalSubstance D-galactosaminide phenio.json D-galactosaminide|D-galactosaminides http://purl.obolibrary.org/obo/CHEBI_20954 3_STAR
CHEBI:20960 biolink:ChemicalSubstance galactose phosphate phenio.json galactose phosphate|galactose phosphates http://purl.obolibrary.org/obo/CHEBI_20960 3_STAR
CHEBI:20961 biolink:ChemicalSubstance D-galactoside phenio.json D-galactoside|D-galactosides http://purl.obolibrary.org/obo/CHEBI_20961 3_STAR
CHEBI:209807 biolink:ChemicalSubstance cefoxitin A semisynthetic cephamycin antibiotic which, in addition to the methoxy group at the 7alpha position, has 2-thienylacetamido and carbamoyloxymethyl side-groups. It is resistant to beta-lactamase. Beilstein:4216947|CAS:35607-66-0|DrugBank:DB01331|Drug_Central:550|HMDB:HMDB0015426|KEGG:C06887|KEGG:D02345|LINCS:LSM-5786|PDBeChem:CFX|PMID:12569987|PMID:17043131|PMID:17178800|PMID:17220412|PMID:17353248|PMID:17387156|PMID:17923492|PMID:18056283|PMID:18070972|PMID:2083978|PMID:29017833|PMID:8360877|Patent:DE2129675|Patent:DE2203653|Patent:US4297488|Reaxys:4216947|Wikipedia:Cefoxitin phenio.json (6R,7S)-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7S)-4-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-7-[(thiophen-2-enyl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(thiophen-2-yl)acetamido]-3,4-didehydrocepham-4-carboxylic acid|CFX|Cefoxitin|Cephoxitin|Rephoxitin|cefoxitin|cefoxitina|cefoxitine|cefoxitinum|ceftoxitin http://purl.obolibrary.org/obo/CHEBI_209807 3_STAR
CHEBI:20984 biolink:ChemicalSubstance D-gluconate adduct phenio.json D-gluconate adduct|D-gluconate adducts http://purl.obolibrary.org/obo/CHEBI_20984 3_STAR
CHEBI:21005 biolink:ChemicalSubstance D-glucose bisphosphate phenio.json D-glucose bisphosphate|D-glucose bisphosphates http://purl.obolibrary.org/obo/CHEBI_21005 3_STAR
CHEBI:21006 biolink:ChemicalSubstance D-glucose monophosphate phenio.json D-glucose monophosphate|D-glucose monophosphates http://purl.obolibrary.org/obo/CHEBI_21006 3_STAR
CHEBI:21008 biolink:ChemicalSubstance glucose phosphate phenio.json glucose phosphates http://purl.obolibrary.org/obo/CHEBI_21008 3_STAR
CHEBI:21010 biolink:ChemicalSubstance D-glucosyl-D-mannose A glycosylmannose with both components having D-configuration. phenio.json http://purl.obolibrary.org/obo/CHEBI_21010 3_STAR
CHEBI:21037 biolink:ChemicalSubstance aldohexose phosphate phenio.json aldohexose phosphate|aldohexose phosphates http://purl.obolibrary.org/obo/CHEBI_21037 3_STAR
CHEBI:21054 biolink:ChemicalSubstance mannonic acid A hexonic acid involved in the glucuronate metabolism. PMID:15358357|PMID:23314367|PMID:863980 phenio.json http://purl.obolibrary.org/obo/CHEBI_21054 3_STAR
CHEBI:21060 biolink:ChemicalSubstance mannose phosphate phenio.json mannose phosphates http://purl.obolibrary.org/obo/CHEBI_21060 3_STAR
CHEBI:21077 biolink:ChemicalSubstance D-ribonic acid The D-enantiomer ribonic acid. HMDB:HMDB0000867|KEGG:C01685|PMID:22770225|Reaxys:1724264 phenio.json (2R,3R,4R)-2,3,4,5-tetrahydroxypentanoic acid|D-Ribonic acid|D-ribonic acid http://purl.obolibrary.org/obo/CHEBI_21077 3_STAR
CHEBI:21080 biolink:ChemicalSubstance ribose diphosphate phenio.json ribose diphosphate|ribose diphosphates http://purl.obolibrary.org/obo/CHEBI_21080 3_STAR
CHEBI:210866 biolink:ChemicalSubstance Antrocin Chemspider:78444664 phenio.json 7,7-dimethyl-4-methylidene-3,3a,5,6,6a,8,9,10-octahydrobenzo[h][2]benzouran-1-one http://purl.obolibrary.org/obo/CHEBI_210866 2_STAR
CHEBI:21099 biolink:ChemicalSubstance D-tagaturonic acid phenio.json D-arabino-hex-5-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_21099 3_STAR
CHEBI:21100 biolink:ChemicalSubstance D-altrarate(1-) An altrarate(1-) that is the conjugate base of D-altraric acid. phenio.json D-talarate|hydrogen D-altrarate http://purl.obolibrary.org/obo/CHEBI_21100 3_STAR
CHEBI:21101 biolink:ChemicalSubstance D-altraric acid The D-enantiomer of altraric acid. Reaxys:1728115 phenio.json (2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioic acid|D-altraric acid|D-talaric acid http://purl.obolibrary.org/obo/CHEBI_21101 3_STAR
CHEBI:21137 biolink:ChemicalSubstance tri-mu-sulfido-mu3-sulfido-triiron COMe:MOL000132|PDBeChem:F3S phenio.json FE3-S4 CLUSTER|[3Fe-4S] cluster|[Fe3S4]|[Fe3S4] cluster|cuboidal Fe3S4 cluster|tri-mu-sulfido-mu3-sulfido-triiron http://purl.obolibrary.org/obo/CHEBI_21137 3_STAR
CHEBI:21161 biolink:ChemicalSubstance GDP-D-mannuronic acid A GDP-sugar having D-mannuronic acid as the sugar component. MetaCyc:CPD-1828 phenio.json guanosine 5'-[3-(D-mannopyranosyluronic acid) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_21161 3_STAR
CHEBI:21165 biolink:ChemicalSubstance GDP-alpha-D-mannosylchitobiosyldiphosphodolichol phenio.json http://purl.obolibrary.org/obo/CHEBI_21165 1_STAR
CHEBI:21167 biolink:ChemicalSubstance GDP-hexose A GDP-sugar in which the sugar component is a hexosyl residue. phenio.json GDP-hexose|GDP-hexoses http://purl.obolibrary.org/obo/CHEBI_21167 3_STAR
CHEBI:21168 biolink:ChemicalSubstance GDP-mannose phenio.json GDP-mannoses http://purl.obolibrary.org/obo/CHEBI_21168 3_STAR
CHEBI:21169 biolink:ChemicalSubstance GDP-sugar phenio.json GDP-sugar|GDP-sugars http://purl.obolibrary.org/obo/CHEBI_21169 3_STAR
CHEBI:211870 biolink:ChemicalSubstance Inostamycin phenio.json (2R)-2-[(2R,3S,4R,5S,6R)-5-ethyl-6-[(2R,3R,4R,6S)-6-[(2S,3S,5S)-5-[(2R,3R,5R)-5-ethyl-2-hydroxy-5-[(1S)-1-hydroxybutyl]-3-methyloxolan-2-yl]-3,5-dimethyloxolan-2-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-2,4-dihydroxy-3,6-dimethyloxan-2-yl]butanoic acid http://purl.obolibrary.org/obo/CHEBI_211870 2_STAR
CHEBI:21203 biolink:ChemicalSubstance L-2-aminohexanoate An L-alpha-amino acid anion that is the conjugate base of L-norleucine. Gmelin:2380914|KEGG:C01933|MetaCyc:L-2-AMINOHEXANOATE|Reaxys:4964325 phenio.json (2S)-2-aminohexanoate|(S)-2-aminohexanoate|L-2-Aminohexanoate|L-Aminohexanoate|L-norleucinate http://purl.obolibrary.org/obo/CHEBI_21203 3_STAR
CHEBI:212106 biolink:ChemicalSubstance Secomilbemycin D Chemspider:78438539 phenio.json (4E)-6-hydroxy-4-[(2E,4R,6E)-8-[(2R,4S,6R,8R,9S)-4-hydroxy-8,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-4,6-dimethylocta-2,6-dienylidene]-7-methylisochromen-1-one http://purl.obolibrary.org/obo/CHEBI_212106 2_STAR
CHEBI:21239 biolink:ChemicalSubstance arogenic acid CAS:53078-86-7 phenio.json 1-(2-amino-2-carboxyethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid|alpha-amino-1-carboxy-4-hydroxy-2,5-cyclohexadiene-1-propanoic acid|arogenic acid|pretyrosine http://purl.obolibrary.org/obo/CHEBI_21239 3_STAR
CHEBI:21241 biolink:ChemicalSubstance phenio.json True http://purl.obolibrary.org/obo/CHEBI_21241
CHEBI:21260 biolink:ChemicalSubstance cysteic acid An amino sulfonic acid that is the sulfonic acid analogue of cysteine. CAS:13100-82-8|ECMDB:ECMDB02757|HMDB:HMDB0002757|PMID:21876281|PMID:25156684|PMID:8283286|Reaxys:1725494|Wikipedia:Cysteic_acid phenio.json 2-amino-3-sulfopropanoic acid|3-Sulfoalanine|beta-Sulfoalanine|cysteine sulfonic acid http://purl.obolibrary.org/obo/CHEBI_21260 3_STAR
CHEBI:212795 biolink:ChemicalSubstance Hispolon Chemspider:8257726 phenio.json (3Z,5E)-6-(3,4-dihydroxyphenyl)-4-hydroxyhexa-3,5-dien-2-one http://purl.obolibrary.org/obo/CHEBI_212795 2_STAR
CHEBI:21282 biolink:ChemicalSubstance (3S,5S)-3,5-diaminohexanoate A diamino acid anion that is the conjugate base of (3S,5S)-3,5-diaminohexanoic acid, obtained by deprotonation of the carboxy group. phenio.json (3S,5S)-3,5-diaminocaproate|(3S,5S)-3,5-diaminohexanoate|L-erythro-3,5-diaminocaproate|L-erythro-3,5-diaminohexanoate http://purl.obolibrary.org/obo/CHEBI_21282 3_STAR
CHEBI:21288 biolink:ChemicalSubstance L-erythrose The L-enantiomer of erythrose. phenio.json L-(+)-Erythrose|L-erythro-tetrose|L-erythrose http://purl.obolibrary.org/obo/CHEBI_21288 3_STAR
CHEBI:21291 biolink:ChemicalSubstance L-fuconate KEGG:C01720 phenio.json 6-deoxy-L-galactonate|L-Fuconate|L-fuconate http://purl.obolibrary.org/obo/CHEBI_21291 3_STAR
CHEBI:21313 biolink:ChemicalSubstance L-glutamyl ester Any alpha-amino acid ester that is the ester of L-glutamic acid. phenio.json L-glutamyl esters http://purl.obolibrary.org/obo/CHEBI_21313 3_STAR
CHEBI:21314 biolink:ChemicalSubstance glutamyl phosphate phenio.json glutamyl phosphates http://purl.obolibrary.org/obo/CHEBI_21314 3_STAR
CHEBI:21336 biolink:ChemicalSubstance L-idonic acid The L-enantiomer of idonic acid. CAS:1114-17-6|ECMDB:ECMDB21376|KEGG:C00770|PMID:1182275|PMID:14973046|Reaxys:1726056 phenio.json L-idonic acid http://purl.obolibrary.org/obo/CHEBI_21336 3_STAR
CHEBI:21337 biolink:ChemicalSubstance idonic acid phenio.json L-idonic acids http://purl.obolibrary.org/obo/CHEBI_21337 3_STAR
CHEBI:21338 biolink:ChemicalSubstance aldehydo-L-iduronate An iduronate that is the conjugate base of aldehydo-L-iduronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. phenio.json L-iduronate http://purl.obolibrary.org/obo/CHEBI_21338 3_STAR
CHEBI:21347 biolink:ChemicalSubstance L-lanthionine The L-enantiomer of lanthionine. AGR:IND606859743|CAS:922-55-4|Chemspider:88959|HMDB:HMDB0240656|MetaCyc:CPD-3736|PDBeChem:85F|PMID:31398016|PMID:33112129|PMID:5543047|PMID:5948138|PMID:6007887|PMID:7185053|Wikipedia:Lanthionine phenio.json (2R,2'R)-3,3'-sulfanediylbis(2-aminopropanoic acid)|(R)-S-(2-amino-2-carboxyethyl)-L-cysteine|(R,R)-2,6-diamino-4-thiaheptanedioic acid|(R,R)-3,3'-thiobis-(2-aminopropanoic acid)|(R,R)-bis(2-amino-2-carboxyethyl)sulfide|3,3'-thiobis-L-alanine|3,3'-thiodi-L-alanine|L-lanthionine|beta,beta'-thiodi-L-alanine http://purl.obolibrary.org/obo/CHEBI_21347 3_STAR
CHEBI:21363 biolink:ChemicalSubstance L-methionine sulfone An L-methionine derivative in which the sulfur has been oxidised to the corresponding sulfone. CAS:7314-32-1|MetaCyc:CPD-3739|PDBeChem:OMT|PMID:18071251|PMID:20944408|PMID:939991|Reaxys:1725510 phenio.json (2S)-2-amino-4-(methylsulfonyl)butanoic acid|(S)-Amino-4-(methylsulphonyl)butyric acid|L-2-amino-4-(methylsulfonyl)butanoic acid|L-methionine sulfone|S-DIOXYMETHIONINE|methionine sulfone http://purl.obolibrary.org/obo/CHEBI_21363 3_STAR
CHEBI:21368 biolink:ChemicalSubstance L-ornithine derivative An ornithine derivative resulting from reaction of L-ornithine at the amino group, the carboxy group or the side-chain amino group, or from the replacement of any hydrogen of L-ornithine by a heteroatom. phenio.json L-ornithine derivatives http://purl.obolibrary.org/obo/CHEBI_21368 3_STAR
CHEBI:21376 biolink:ChemicalSubstance rhamnonic acid CAS:6422-34-0|KEGG:C01934 phenio.json 6-deoxymannonic acid http://purl.obolibrary.org/obo/CHEBI_21376 3_STAR
CHEBI:213772 biolink:ChemicalSubstance Azinomycin A Chemspider:9932912 phenio.json [2-[[(1E)-1-[(3R,4R,5S)-3-acetyloxy-4-hydroxy-1-azabicyclo[3.1.0]hexan-2-ylidene]-2-oxo-2-(2-oxopropylamino)ethyl]amino]-1-(2-methyloxiran-2-yl)-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate http://purl.obolibrary.org/obo/CHEBI_213772 2_STAR
CHEBI:21397 biolink:ChemicalSubstance L-altrarate(1-) PMID:17649980 phenio.json L-talarate|hydrogen L-altrarate http://purl.obolibrary.org/obo/CHEBI_21397 3_STAR
CHEBI:21398 biolink:ChemicalSubstance L-altraric acid Altraric acid of L-configuration. Reaxys:1728118 phenio.json (2R,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid|L-altraric acid|L-talaric acid http://purl.obolibrary.org/obo/CHEBI_21398 3_STAR
CHEBI:21415 biolink:ChemicalSubstance L-tyrosyl ester An alpha-amino acid ester resulting from esterification of the carboxy group of L-tyrosine. PMID:24667307 phenio.json L-tyrosine ester|L-tyrosine esters|L-tyrosyl esters http://purl.obolibrary.org/obo/CHEBI_21415 3_STAR
CHEBI:21437 biolink:ChemicalSubstance Mo-molybdopterin cofactor A molybdopterin cofactor in which the coordinated metal is a mononuclear molybdenum or molybdate species. CAS:73508-07-3|DrugBank:DB02137|KEGG:C18237 phenio.json Mo-molybdopterin cofactors|Moco|Molybdenum cofactor|molybdenum cofactor http://purl.obolibrary.org/obo/CHEBI_21437 3_STAR
CHEBI:21494 biolink:ChemicalSubstance N-acetoxyarylamine Any arylamine having an acetytoxy group attached to the nitrogen. CAS:71825-04-2|KEGG:C16684 phenio.json an N-acetoxyarylamine http://purl.obolibrary.org/obo/CHEBI_21494 3_STAR
CHEBI:21500 biolink:ChemicalSubstance N-acetyl-9-O-acetylneuraminic acid CAS:55717-54-9|KEGG:C04017 phenio.json 5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid|9-Anana|9-O-Acetyl-N-acetylneuraminic acid|9-O-Acetylsialic acid http://purl.obolibrary.org/obo/CHEBI_21500 3_STAR
CHEBI:21501 biolink:ChemicalSubstance N-acetyl-D-amino acid An N-acetyl-amino acid having D-configuration. KEGG:C03135 phenio.json N-Acetyl-D-amino-acid|N-acetyl-D-amino acids http://purl.obolibrary.org/obo/CHEBI_21501 3_STAR
CHEBI:21507 biolink:ChemicalSubstance N-acetyl-D-galactosaminyl group A galactosaminyl group (D-configuration) in which the amino group at C-2 is acetylated. The group may be substituted with further mono- or oligo-saccharide groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_21507 3_STAR
CHEBI:21509 biolink:ChemicalSubstance N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine phenio.json N-acetyl-D-galactosaminyl-N-acetylneuraminyl-D-galactosyl-D-glucosyl-N-acylsphingosine http://purl.obolibrary.org/obo/CHEBI_21509 3_STAR
CHEBI:21519 biolink:ChemicalSubstance N-acetyl-D-glucosamine 1-phosphate A N-acyl-D-glucosamine 1-phosphate in which the acyl group specified is acetyl. phenio.json http://purl.obolibrary.org/obo/CHEBI_21519 3_STAR
CHEBI:21524 biolink:ChemicalSubstance N-acetyl-D-glucosaminyl groups A glucosaminyl group having D-configuration and an N-acetyl substituent (and derivatives thereof). phenio.json N-acetyl-D-glucosaminyl derivative group|N-acetyl-D-glucosaminyl derivative groups|N-acetyl-D-glucosaminyl groups http://purl.obolibrary.org/obo/CHEBI_21524 3_STAR
CHEBI:21545 biolink:ChemicalSubstance N-acetyl-L-amino acid An L-amino acid having an N-acetyl substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_21545 3_STAR
CHEBI:21547 biolink:ChemicalSubstance N-acetyl-L-aspartic acid An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl. CAS:997-55-7|HMDB:HMDB0000812|KEGG:C01042|MetaCyc:CPD-420|PMID:1400776|PMID:1583881|PMID:17190852|PMID:17703473|PMID:19445994|PMID:19816853|PMID:20362635|PMID:20946933|PMID:21547934|PMID:21608034|PMID:21920405|PMID:22284151|PMID:2272391|PMID:22770225|PMID:2324740|PMID:6131106|Reaxys:1726198|Wikipedia:N-acetylaspartic_acid phenio.json (2S)-2-acetamidobutanedioic acid|(S)-2-(acetylamino)butanedioic acid|(S)-2-(acetylamino)succinic acid|L-N-acetylaspartic acid|N-acetylaspartic acid|NAA|acetyl-L-aspartic acid|acetylaspartic acid http://purl.obolibrary.org/obo/CHEBI_21547 3_STAR
CHEBI:21549 biolink:ChemicalSubstance N-acetyl-L-glutamate(1-) An N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups and protonation of the amide nitrogen of N-acetyl-L-glutamic acid. phenio.json (2S)-2-(acetylammonio)pentanedioate http://purl.obolibrary.org/obo/CHEBI_21549 3_STAR
CHEBI:21557 biolink:ChemicalSubstance N-acetyl-L-methionine An L-methionine derivative that is L-methionine in which one of the amine hydrogens is substituted by an acetyl group. CAS:65-82-7|DrugBank:DB01646|HMDB:HMDB0011745|KEGG:C02712|MetaCyc:CPD0-2015|PDBeChem:AME|PMID:16091934|PMID:16129491|PMID:21246718|PMID:21796695|PMID:24769178|PMID:448454|PMID:7069504|PMID:7354384|PMID:845673|PMID:986424|Reaxys:1725552|Reaxys:4744969 phenio.json (2S)-2-acetamido-4-(methylsulfanyl)butanoic acid|AcMet|Acetyl-L-methionine|Acetylmethionine|L-(N-Acetyl)methionine|Methionamine|N-Ac-Met|N-Acetylmethionine|N-acetyl-L-methionine|Nalpha-acetyl-L-methionine http://purl.obolibrary.org/obo/CHEBI_21557 3_STAR
CHEBI:21569 biolink:ChemicalSubstance N-acetyl-O-acetylneuraminic acid phenio.json N-acetyl-O-acetylneuraminic acids http://purl.obolibrary.org/obo/CHEBI_21569 3_STAR
CHEBI:215747 biolink:ChemicalSubstance Benvitimod Chemspider:4943924|DrugBank:DB06083|KEGG:D11365 phenio.json 5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol http://purl.obolibrary.org/obo/CHEBI_215747 2_STAR
CHEBI:21575 biolink:ChemicalSubstance N-acetyl-amino acid An N-acyl-amino acid that has acetyl as the acyl group. KEGG:C02847 phenio.json N-Acetyl amino acid|N-acetyl-amino acids http://purl.obolibrary.org/obo/CHEBI_21575 3_STAR
CHEBI:21601 biolink:ChemicalSubstance N-acetyl-D-hexosamine Any N-acetylhexosamine in which the hexosamine has D-configuration. The structure provided is an illustrative example of the pyranose form of an N-acetyl-D-hexosamine. phenio.json N-acetyl-D-hexosamine|N-acetyl-D-hexosamines|N-acetylhexosamine|N-acetylhexosamines http://purl.obolibrary.org/obo/CHEBI_21601 3_STAR
CHEBI:21615 biolink:ChemicalSubstance N-acetyl-D-muramic acid The pyranose form of N-acetylmuramic acid. CAS:61633-75-8|ECMDB:ECMDB20176|HMDB:HMDB0060493|KEGG:C02713|PMID:12369847|PMID:24819062|Reaxys:3085879|Wikipedia:N-Acetylmuramic_acid phenio.json 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucopyranose|N-Acetyl-D-muramoate|N-Acetylmuramic acid http://purl.obolibrary.org/obo/CHEBI_21615 3_STAR
CHEBI:21619 biolink:ChemicalSubstance N-acetylneuraminates phenio.json N-acetylneuraminate http://purl.obolibrary.org/obo/CHEBI_21619 3_STAR
CHEBI:21622 biolink:ChemicalSubstance N-acetylneuraminic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_21622 3_STAR
CHEBI:21626 biolink:ChemicalSubstance N-acetylphenylalanine The N-acetyl derivative of phenylalanine. CAS:2901-75-9|Reaxys:2213851 phenio.json 2-(acetylamino)-3-phenylpropanoic acid|N-Acetyl-3-phenyl-DL-alanine|N-acetylphenylalanine|afalanina|afalanine|afalaninum http://purl.obolibrary.org/obo/CHEBI_21626 3_STAR
CHEBI:21635 biolink:ChemicalSubstance N-acyl-D-glucosamine 1-phosphate phenio.json N-acyl-D-glucosamine 1-phosphate|N-acyl-D-glucosamine 1-phosphates http://purl.obolibrary.org/obo/CHEBI_21635 3_STAR
CHEBI:21637 biolink:ChemicalSubstance N-acyl-D-glucosamine phosphate phenio.json N-acyl-D-glucosamine phosphates http://purl.obolibrary.org/obo/CHEBI_21637 3_STAR
CHEBI:21638 biolink:ChemicalSubstance N-acylglucosamine phenio.json N-acylglucosamine|N-acylglucosamines http://purl.obolibrary.org/obo/CHEBI_21638 3_STAR
CHEBI:2164 biolink:ChemicalSubstance 6-acetamido-3-aminohexanoic acid A member of the class of beta-amino acids that is the N(6)-acetyl derivative of 3,6-diaminohexanoic acid. KEGG:C03846|MetaCyc:3-AMINO-6-ACETAMIDOHEXANOATE phenio.json 6-Acetamido-3-aminohexanoate|6-acetamido-3-aminohexanoic acid|N(6)-acetyl-beta-lysine http://purl.obolibrary.org/obo/CHEBI_2164 3_STAR
CHEBI:21644 biolink:ChemicalSubstance N-acyl-L-amino acid Any N-acylamino acid having L-configuration. phenio.json http://purl.obolibrary.org/obo/CHEBI_21644 3_STAR
CHEBI:21645 biolink:ChemicalSubstance N-acyl-L-arginine An N-acyl-L-amino acid that is L-arginine in which one of the hydrogens attached to the nitrogen is replaced by any acyl group. KEGG:C02562 phenio.json N-acyl-L-arginines http://purl.obolibrary.org/obo/CHEBI_21645 3_STAR
CHEBI:21647 biolink:ChemicalSubstance N-acyl-L-aspartic acid L-Aspartic acid substituted at nitrogen by an acyl group. KEGG:C02715 phenio.json N-acyl-L-aspartic acids http://purl.obolibrary.org/obo/CHEBI_21647 3_STAR
CHEBI:2165 biolink:ChemicalSubstance 6-acetamido-3-oxohexanoic acid A 3-oxo monocarboxylic acid that is 3-oxohexanoic acid substituted at position 6 by an acetamido group. CAS:59403-50-8|KEGG:C03682|MetaCyc:3-OXO-6-ACETAMIDOHEXANOATE|Reaxys:20934815 phenio.json 3-keto-6-acetamidohexanoate|3-oxo-6-acetamidohexanoic acid|6-Acetamido-3-oxohexanoate|6-acetamido-3-ketohexanoic acid|6-acetamido-3-oxohexanoic acid http://purl.obolibrary.org/obo/CHEBI_2165 3_STAR
CHEBI:21650 biolink:ChemicalSubstance N-acyl-L-glutamic acid Any optically active N-acylglutamic acid having L-configuration. phenio.json N-acyl-L-glutamic acid http://purl.obolibrary.org/obo/CHEBI_21650 3_STAR
CHEBI:21652 biolink:ChemicalSubstance N-acyl-O-acetylneuraminic acid phenio.json N-acyl-O-acetylneuraminic acid|N-acyl-O-acetylneuraminic acids http://purl.obolibrary.org/obo/CHEBI_21652 3_STAR
CHEBI:21654 biolink:ChemicalSubstance N-acyl-aspartic acid An aspartic acid derivative that is aspartic acid in which one of the hydrogens attached to the amino group is replaced by an acyl group. phenio.json http://purl.obolibrary.org/obo/CHEBI_21654 3_STAR
CHEBI:21655 biolink:ChemicalSubstance N-acylgalactosamine phenio.json N-acylgalactosamine|N-acylgalactosamines http://purl.obolibrary.org/obo/CHEBI_21655 3_STAR
CHEBI:21656 biolink:ChemicalSubstance N-acyl-hexosamine phenio.json N-acyl-hexosamine|N-acyl-hexosamines http://purl.obolibrary.org/obo/CHEBI_21656 3_STAR
CHEBI:21658 biolink:ChemicalSubstance N-acylglutamic acid A glutamic acid derivative that is glutamic acid in which a hydrogen attached to the nitrogen has been replaced by an acyl group. phenio.json http://purl.obolibrary.org/obo/CHEBI_21658 3_STAR
CHEBI:21662 biolink:ChemicalSubstance N-acylneuraminic acid phosphate phenio.json N-acylneuraminate phosphate|N-acylneuraminic acid phosphates http://purl.obolibrary.org/obo/CHEBI_21662 3_STAR
CHEBI:21663 biolink:ChemicalSubstance N-acylneuraminates phenio.json N-acylneuraminate http://purl.obolibrary.org/obo/CHEBI_21663 3_STAR
CHEBI:21672 biolink:ChemicalSubstance N-amidino-amino acid phenio.json http://purl.obolibrary.org/obo/CHEBI_21672 1_STAR
CHEBI:21681 biolink:ChemicalSubstance N-benzoyl-D-arginines Any D-arginine derivative in which at least one of the nitrogens has been benzoylated. phenio.json http://purl.obolibrary.org/obo/CHEBI_21681 3_STAR
CHEBI:21686 biolink:ChemicalSubstance N-carbamoyl-L-amino acid A N-carbamoyl-amino acid in which the amino acid has a L-configuration. phenio.json N-carbamoyl-L-amino acids http://purl.obolibrary.org/obo/CHEBI_21686 3_STAR
CHEBI:21689 biolink:ChemicalSubstance N-carbamoyl-amino acid phenio.json N-carbamoyl-amino acids http://purl.obolibrary.org/obo/CHEBI_21689 3_STAR
CHEBI:21725 biolink:ChemicalSubstance N-glycoloylglucosamine phenio.json http://purl.obolibrary.org/obo/CHEBI_21725 3_STAR
CHEBI:21726 biolink:ChemicalSubstance N-glycoloyl-hexosamine A N-acyl-hexosamine in which the acyl group specified is glycoloyl. phenio.json N-glycoloyl-hexosamines http://purl.obolibrary.org/obo/CHEBI_21726 3_STAR
CHEBI:21727 biolink:ChemicalSubstance N-glycoloylmannosamine phenio.json http://purl.obolibrary.org/obo/CHEBI_21727 3_STAR
CHEBI:21731 biolink:ChemicalSubstance N-glycosyl compound A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and an H atom bound to a nitrogen atom, thus creating a C-N bond. phenio.json N-glycoside|N-glycosides|N-glycosyl compounds|glycosylamine|glycosylamines http://purl.obolibrary.org/obo/CHEBI_21731 3_STAR
CHEBI:21745 biolink:ChemicalSubstance N-(long-chain-fatty-acyl)-L-glutamic acid An N-acyl-L-glutamic acid in which the acyl group has a chain length of C12 or greater. KEGG:C04305 phenio.json N-(long-chain-fatty-acyl)-L-glutamic acids http://purl.obolibrary.org/obo/CHEBI_21745 3_STAR
CHEBI:21752 biolink:ChemicalSubstance N-methyl-L-alpha-amino acid An non-proteinogenic L-alpha-amino acid in which the amino group bears one or more methyl groups. phenio.json N-methyl-L-alpha-amino acids|N-methyl-L-amino acid http://purl.obolibrary.org/obo/CHEBI_21752 3_STAR
CHEBI:21759 biolink:ChemicalSubstance N-methyl-N'-nitro-N-nitrosoguanidine An N-nitroguanidine compound having nitroso and methyl substituents at the N'-position Beilstein:1779490|CAS:70-25-7|KEGG:C14592 phenio.json 1-Methyl-1-nitroso-3-nitroguanidine|1-Methyl-3-nitro-1-nitrosoguanidine|1-Nitroso-3-nitro-1-methylguanidine|1-methyl-3-nitro-1-nitrosoguanidine|MNG|MNNG|Methylnitronitrosoguanidine|N'-Nitro-N-nitroso-N-methylguanidine|N-Methyl-N',2-dioxohydrazinecarboximidohydrazide 2-oxide|N-Methyl-N'-nitro-N-nitrosoguanidine|N-Methyl-N-nitroso-N'-nitroguanidine|N-Methyl-N-nitrosonitroguanidin|N-Nitroso-N-methyl-N'-nitroguanidine http://purl.obolibrary.org/obo/CHEBI_21759 3_STAR
CHEBI:21760 biolink:ChemicalSubstance N-methyl-amino acid An amino acid derivative in which at least one of the hydrogens of the amino group has been replaced by a methyl group. phenio.json N-methyl-amino acids http://purl.obolibrary.org/obo/CHEBI_21760 3_STAR
CHEBI:21763 biolink:ChemicalSubstance N-methylethanolamine An ethanolamine compound having an N-methyl substituent. CAS:109-83-1|PMID:10930630|PMID:22112405|PMID:5677135|PMID:6049253|Patent:CN101415672|Patent:CN101870710|Patent:WO2010125179|Reaxys:1071196|Wikipedia:N-Methylethanolamine phenio.json (2-Hydroxyethyl)methylamine|2-(N-Methylamino)ethanol|2-(methylamino)ethanol|2-Hydroxy-N-methylethylamine|2-Methylaminoethanol|2-N-Monomethylaminoethanol|Methyl(2-hydroxyethyl)amine|Methyl(beta-hydroxyethyl)amine|Methylethanolamine|Methylethylolamine|Monomethyl-aminoaethanol|Monomethylaminoethanol|Monomethylethanolamine|Monomethylmonoethanolamine|N-(2-Hydroxyethyl)-N-methylamine|N-(2-Hydroxyethyl)methylamine|N-Methyl-2-aminoethanol|N-Methyl-2-ethanolamine|N-Methyl-2-hydroxyethylamine|N-Methyl-N-(2-hydroxyethyl)amine|N-Methyl-N-(beta-hydroxyethyl)amine|N-Methylaminoethanol|N-Methylethanolamine|N-Methylmonoethanolamine|N-Monomethylaminoethanol|N-Monomethylethanolamine|beta-(Methylamino)ethanol http://purl.obolibrary.org/obo/CHEBI_21763 3_STAR
CHEBI:21766 biolink:ChemicalSubstance N-methylglycines An N-alkylglycine that is sarcosine and derivatives of sarcosine arising by replacement of the hydrogen attached to the nitrogen by a hydrocarbyl group. phenio.json http://purl.obolibrary.org/obo/CHEBI_21766 3_STAR
CHEBI:21776 biolink:ChemicalSubstance N-myristoyl amino acid phenio.json http://purl.obolibrary.org/obo/CHEBI_21776 1_STAR
CHEBI:2179 biolink:ChemicalSubstance D-fucopyranose The six-membered ring form of D-fucose. CAS:3615-37-0|Gmelin:1972483|HMDB:HMDB0029196|KEGG:C01018|KNApSAcK:C00001118|MetaCyc:D-FUCOSE|PMID:19913595|PMID:22159189|PMID:23552326|PMID:23942008|PMID:9367758|Reaxys:1905881 phenio.json 6-Deoxy-D-galactose|6-deoxy-D-galactopyranose|D-Fucose|D-fucopyranose|D-fucose http://purl.obolibrary.org/obo/CHEBI_2179 3_STAR
CHEBI:21794 biolink:ChemicalSubstance N-sulfoglucosamine phenio.json N-sulfo-glucosamines|N-sulfoglucosamine|N-sulfoglucosamines http://purl.obolibrary.org/obo/CHEBI_21794 3_STAR
CHEBI:21805 biolink:ChemicalSubstance N(2')-acetylgentamycin phenio.json N(2')-acetylgentamycins http://purl.obolibrary.org/obo/CHEBI_21805 3_STAR
CHEBI:21806 biolink:ChemicalSubstance N(2),N(5)-diacyl-L-ornithine A L-ornithine derivative in which L-ornithine is acylated on both nitrogens. phenio.json N(2),N(5)-diacyl-L-ornithines http://purl.obolibrary.org/obo/CHEBI_21806 3_STAR
CHEBI:2181 biolink:ChemicalSubstance L-fucopyranose The pyranose form of L-fucose. CAS:2438-80-4|GlyGen:G82576YO|GlyTouCan:G82576YO|Gmelin:863814|HMDB:HMDB0000174|KEGG:C01019|KNApSAcK:C00035100|MetaCyc:L-FUCOSE|PMID:19913595|PMID:25728407|PMID:27145048|PMID:27782805|PMID:7688662|Reaxys:1905878|Wikipedia:L-Fucose phenio.json (-)-L-Fucose|(3S,4R,5R,6S)-6-methyloxane-2,3,4,5-tetrol|(3S,4R,5R,6S)-6-methyltetrahydropyran-2,3,4,5-tetrol|(3S,4R,5S,6S)-6-methyloxane-2,3,4,5-tetrol|6-Deoxy-L-galactose|6-deoxy-L-galactopyranose|L-Fucose|L-fucopyranose|L-fucose|WURCS=2.0/1,1,0/[a1221m-1x_1-5]/1/ http://purl.obolibrary.org/obo/CHEBI_2181 3_STAR
CHEBI:21815 biolink:ChemicalSubstance N2-acyl-L-ornithine phenio.json http://purl.obolibrary.org/obo/CHEBI_21815 3_STAR
CHEBI:21816 biolink:ChemicalSubstance N(2)-glutamino group phenio.json (4-amino-1-carboxy-4-oxobutyl)amino|N(2)-glutamino|N(alpha)-glutamino http://purl.obolibrary.org/obo/CHEBI_21816 3_STAR
CHEBI:218307 biolink:ChemicalSubstance Tenvermectin C Chemspider:78441806 phenio.json (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21S,24S)-22-ethyl-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',6',11,13-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one http://purl.obolibrary.org/obo/CHEBI_218307 2_STAR
CHEBI:218313 biolink:ChemicalSubstance Tenvermectin D Chemspider:78441807 phenio.json (1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21S,24S)-13-ethyl-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',6',11,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one http://purl.obolibrary.org/obo/CHEBI_218313 2_STAR
CHEBI:21836 biolink:ChemicalSubstance N(4)-glycosyl-L-asparagine phenio.json N(4)-glycosyl-L-asparagines http://purl.obolibrary.org/obo/CHEBI_21836 3_STAR
CHEBI:21844 biolink:ChemicalSubstance N(5)-alkyl-L-glutamine An L-glutamine derivative having an alkyl group attached to the amide nitrogen. phenio.json N(5)-alkyl-L-glutamines http://purl.obolibrary.org/obo/CHEBI_21844 3_STAR
CHEBI:21858 biolink:ChemicalSubstance hypusine An L-lysine derivative that is L-lysine bearing a (2R)-4-amino-2-hydroxybutyl substituent at position N(6). CAS:34994-11-1|PDBeChem:5CT|PMID:17476569|PMID:19379712|PMID:21360085|PMID:3114263|PMID:6434336|PMID:8347280|PMID:8820901|PMID:9748364 phenio.json (+)-hypusine|N(6)-[(2R)-4-amino-2-hydroxybutyl]-L-lysine http://purl.obolibrary.org/obo/CHEBI_21858 3_STAR
CHEBI:21860 biolink:ChemicalSubstance L-pyrrolysine A N(6)-acyl-L-lysine having (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-ylcarbonyl as the N(6)-acyl group. CAS:448235-52-7|KEGG:C16138|MetaCyc:CPD-3321|PDBeChem:PYL|PMID:15329732|PMID:16256420|PMID:17360621|PMID:17626042|PMID:19063902|PMID:19796638|Wikipedia:Pyrrolysine phenio.json (2S)-2-amino-6-[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-ylcarbonyl]aminohexanoic acid|N(6)-{[(2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-yl]carbonyl}-L-lysine|N6-((2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-ylcarbonyl)-L-lysine|N6-(4-methyl-1,2-didehydropyrrolidine-5-carboxyl)-L-lysine|N6-(4-methyl-delta-1-pyrroline-5-carboxyl)-L-lysine|Pyrrolysine|monomethylamine methyltransferase cofactor lysine adduct|pyrrolysine http://purl.obolibrary.org/obo/CHEBI_21860 3_STAR
CHEBI:21865 biolink:ChemicalSubstance N(6)-dimethylallyladenosine 5'-monophosphate phenio.json N(6)-dimethylallyladenosine 5'-monophosphates http://purl.obolibrary.org/obo/CHEBI_21865 3_STAR
CHEBI:21891 biolink:ChemicalSubstance N(6)-methyladenosine A methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase. CAS:1867-73-8|LINCS:LSM-3835|PMID:26046440|PMID:26323656|PMID:26748145|PMID:26958595|PMID:27396363|PMID:27467725|PMID:28349455|PMID:323854|Reaxys:42872 phenio.json (2R,3S,4R,5R)-2-Hydroxymethyl-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-3,4-diol|6-Methyladenosine|6-Methylaminopurine D-riboside|6-Methylaminopurine ribonucleoside|6-Methylaminopurine riboside|6-Methylaminopurinosine|N(6)-Methyladenosine|N(6)-monomethyladenosine|N-methyladenosine|m6a http://purl.obolibrary.org/obo/CHEBI_21891 3_STAR
CHEBI:21894 biolink:ChemicalSubstance N6-myristoyl-L-lysine phenio.json http://purl.obolibrary.org/obo/CHEBI_21894 1_STAR
CHEBI:21911 biolink:ChemicalSubstance N(alpha)-methyl-L-histidines A N-methyl-L-alpha-amino acid that is L-histidine in which at least one of the amino hydrogens has been replaced by a methyl group. phenio.json http://purl.obolibrary.org/obo/CHEBI_21911 3_STAR
CHEBI:21968 biolink:ChemicalSubstance O-phosphoamino acid phenio.json O-phosphoamino acids http://purl.obolibrary.org/obo/CHEBI_21968 3_STAR
CHEBI:21969 biolink:ChemicalSubstance O-phosphorylhomoserine An O-phosphoamino acid in which the amino acid specified is homoserine. KEGG:C05702 phenio.json O-Phosphorylhomoserine|O-phosphorylhomoserines http://purl.obolibrary.org/obo/CHEBI_21969 3_STAR
CHEBI:21976 biolink:ChemicalSubstance o-succinylhomoserine phenio.json http://purl.obolibrary.org/obo/CHEBI_21976 1_STAR
CHEBI:2198 biolink:ChemicalSubstance 6-hydroxymelatonin A member of the class of tryptamines that is melatonin with a hydroxy group substituent at position 6. CAS:2208-41-5|HMDB:HMDB0004081|KEGG:C05643|PMID:15356035|PMID:16300638|PMID:22430231|PMID:2646423|PMID:3964785|PMID:7263843|Reaxys:483231 phenio.json Lopac-H-0627|N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide http://purl.obolibrary.org/obo/CHEBI_2198 3_STAR
CHEBI:22020 biolink:ChemicalSubstance S-(ADP-ribosyl)-L-cysteine phenio.json http://purl.obolibrary.org/obo/CHEBI_22020 1_STAR
CHEBI:22043 biolink:ChemicalSubstance S-farnesyl-L-cysteine An S-polyprenyl-L-cysteine where the polyprenyl moiety is specified as farnesyl. phenio.json S-farnesyl-L-cysteines http://purl.obolibrary.org/obo/CHEBI_22043 3_STAR
CHEBI:22046 biolink:ChemicalSubstance S-geranylgeranyl-L-cysteine An S-polyprenyl-L-cysteine where the polyprenyl moiety is specified as geranylgeranyl. CAS:131404-69-8|MetaCyc:CPD-12591|Reaxys:9958844 phenio.json Geranylgeranylcysteine|S-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]-L-cysteine|S-geranylgeranylcysteine http://purl.obolibrary.org/obo/CHEBI_22046 3_STAR
CHEBI:22063 biolink:ChemicalSubstance sulfoxide An organosulfur compound having the structure R2S=O or R2C=S=O (R =/= H). phenio.json S-oxides|sulfoxide|sulfoxides http://purl.obolibrary.org/obo/CHEBI_22063 3_STAR
CHEBI:22064 biolink:ChemicalSubstance S-palmitoyl amino acid phenio.json http://purl.obolibrary.org/obo/CHEBI_22064 1_STAR
CHEBI:22065 biolink:ChemicalSubstance S-palmitoyl-L-cysteine A palmitoyl-L-cysteine in which the palmitoyl group is attached to the sulfur via a thioester linkage. DrugBank:DB08342|PDBeChem:P1L phenio.json S-hexadecanoyl-L-cysteine http://purl.obolibrary.org/obo/CHEBI_22065 3_STAR
CHEBI:2208 biolink:ChemicalSubstance purine-6-thiol A thiol that is the tautomer of mercaptopurine. CAS:50-44-2|DrugBank:DB01033|KEGG:C01756|KEGG:C02380|PDBeChem:PM6|PMID:24211998|PMID:24651962|PMID:24670805|PMID:24774509|Reaxys:608595 phenio.json 1,7-Dihydro-6H-purine-6-thione|3H-Purine-6-thiol|6-MP|6-Thiohypoxanthine|7H-purine-6-thiol http://purl.obolibrary.org/obo/CHEBI_2208 3_STAR
CHEBI:22080 biolink:ChemicalSubstance TDP-sugar A pyrimidine nucleotide-sugar having TDP as the nucleotide component attached to an unspecified sugar via an anomeric diphosphate linkage. phenio.json TDP-sugars http://purl.obolibrary.org/obo/CHEBI_22080 3_STAR
CHEBI:22099 biolink:ChemicalSubstance UDP-D-galactosamine CAS:17479-06-0 phenio.json Udp galactosamine|Uridine 5'-(trihydrogen diphosphate), P'-(2-amino-2-deoxy-alpha-D-galactopyranosyl) ester|Uridine 5'-diphosphogalactosamine|Uridine diphosphate galactosamine|uridine 5'-[3-(2-amino-2-deoxy-D-galactopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_22099 3_STAR
CHEBI:22102 biolink:ChemicalSubstance UDP-D-glucosamine phenio.json uridine 5'-[3-(2-amino-2-deoxy-D-glucopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_22102 3_STAR
CHEBI:22119 biolink:ChemicalSubstance UDP-N-acetylmannosaminouronic acid phenio.json UDP-N-acetylmannosaminouronates http://purl.obolibrary.org/obo/CHEBI_22119 3_STAR
CHEBI:221278 biolink:ChemicalSubstance (R)-nipecotic acid The (R)-enantiopmer of nipecotic acid. Beilstein:81097 phenio.json (-)-hexahydronicotinic acid|(-)-nipecotic acid|(-)-piperidine-3-carboxylic acid|(3R)-(-)-piperidine-3-carboxylic acid|(3R)-hexahydronicotinic acid|(3R)-nipecotic acid|(3R)-piperidine-3-carboxylic acid|(R)-(-)-3-piperidinecarboxylic acid|(R)-(-)-nipecotic acid|(R)-(-)-piperidine-3-carboxylic acid|(R)-hexahydronicotinic acid|(R)-piperidine-3-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_221278 3_STAR
CHEBI:221321 biolink:ChemicalSubstance Fulvic acid Chemspider:4514278|HMDB:HMDB0252514 phenio.json 3,7,8-trihydroxy-3-methyl-10-oxo-1,4-dihydropyrano[4,3-b]chromene-9-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_221321 2_STAR
CHEBI:22144 biolink:ChemicalSubstance abscisic aldehyde Beilstein:2053284 phenio.json (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienal|abscisic aldehyde http://purl.obolibrary.org/obo/CHEBI_22144 3_STAR
CHEBI:22151 biolink:ChemicalSubstance (+)-abscisic acid beta-D-glucopyranosyl ester A (+)-abscisic acid D-glucopyranosyl ester that is derived from beta-D-glucopyranose. KEGG:C15970|PMID:12114582|Reaxys:7394092 phenio.json (+)-(S)-ABA-beta-GE|(+)-S-ABA-beta-GE|(+)-abscisyl beta-D-glucopyranoside|(+)-beta-D-glucopyranosyl abscisate|1-O-{(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoyl}-beta-D-glucopyranose|ABA-beta-GE|Abscisic acid-beta-D-glucopyranosyl ester|abscisic acid 1'-O-beta-glucoside|beta-D-glucopyranosyl cis-(+)-abscisate http://purl.obolibrary.org/obo/CHEBI_22151 3_STAR
CHEBI:22152 biolink:ChemicalSubstance 2-cis-abscisic acid A member of the class of abscisic acids in which the double bond betweeen positions 2 and 3 has cis- (natural) geometry. Beilstein:2698956 phenio.json (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid|Abscisinsaeure|Abszisinsaeure|abscisic acid|acide abscissique|acido abscisico http://purl.obolibrary.org/obo/CHEBI_22152 3_STAR
CHEBI:221528 biolink:ChemicalSubstance Anantin Chemspider:78442926 phenio.json (3R)-3-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[[(5S,8R,14R,20R,23S)-5-benzyl-8-[(2S)-butan-2-yl]-3,6,9,12,15,18,21,25-octahydroxy-20-(2-hydroxy-2-iminoethyl)-14-(1H-indol-3-ylmethyl)-1,4,7,10,13,16,19,22-octazacyclopentacosa-3,6,9,12,15,18,21,25-octaen-23-yl]-hydroxymethylidene]amino]-1-hydroxy-3-methylpentylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1,3-dihydroxypropylidene]amino]-1-hydroxyethylidene]amino]-4-[(1R)-1-carboxy-2-phenylethyl]imino-4-hydroxybutanoic acid http://purl.obolibrary.org/obo/CHEBI_221528 2_STAR
CHEBI:22153 biolink:ChemicalSubstance acaricide A substance used to destroy pests of the subclass Acari (mites and ticks). Wikipedia:Acaricide phenio.json Akarizid|Akarizide|acaricides|miticide http://purl.obolibrary.org/obo/CHEBI_22153 3_STAR
CHEBI:22154 biolink:ChemicalSubstance acenaphthene A polycyclic aromatic hydrocarbon derived from naphthalene by the addition of an ethylene bridge connecting C-1 and C-8. CAS:83-32-9|Gmelin:261742|KEGG:C19312|PMID:24239307|PMID:24420562|PMID:24746347|Patent:CN102898269|Patent:CN103304357|Reaxys:386081|Wikipedia:Acenaphthene phenio.json 1,2-dihydroacenaphthylene|acenaphthene|peri-ethylenenaphthalene http://purl.obolibrary.org/obo/CHEBI_22154 3_STAR
CHEBI:22156 biolink:ChemicalSubstance acenaphthenes Any member of the class of acenaphthylenes based on a acenaphthene skeleton and its derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_22156 3_STAR
CHEBI:22160 biolink:ChemicalSubstance acetamides Compounds with the general formula RNHC(=O)CH3. phenio.json http://purl.obolibrary.org/obo/CHEBI_22160 3_STAR
CHEBI:22177 biolink:ChemicalSubstance acetohydroxamic acids Any hydroxamic acid in which the N-acyl group is specified as acetyl. phenio.json http://purl.obolibrary.org/obo/CHEBI_22177 3_STAR
CHEBI:22179 biolink:ChemicalSubstance acetohydroximates phenio.json http://purl.obolibrary.org/obo/CHEBI_22179 1_STAR
CHEBI:22180 biolink:ChemicalSubstance EC 2.2.1.6 (acetolactate synthase) inhibitor An EC 2.2.1.* (transketolase/transaldolase) inhibitor that interferes with the action of acetolactate synthase (EC 2.2.1.6). Wikipedia:Acetolactate_synthase phenio.json EC 2.2.1.6 (acetolactate synthase) inhibitors|EC 2.2.1.6 inhibitor|EC 2.2.1.6 inhibitors|acetohydroxy acid synthetase inhibitor|acetohydroxy acid synthetase inhibitors|acetohydroxyacid synthase inhibitor|acetohydroxyacid synthase inhibitors|acetolactate pyruvate-lyase (carboxylating) inhibitor|acetolactate pyruvate-lyase (carboxylating) inhibitors|acetolactate synthase (EC 2.2.1.6) inhibitor|acetolactate synthase (EC 2.2.1.6) inhibitors|acetolactate synthase inhibitor|acetolactate synthase inhibitors|acetolactic synthetase inhibitor|acetolactic synthetase inhibitors|alpha-acetohydroxy acid synthetase inhibitor|alpha-acetohydroxy acid synthetase inhibitors|alpha-acetohydroxyacid synthase inhibitor|alpha-acetohydroxyacid synthase inhibitors|alpha-acetolactate synthase inhibitor|alpha-acetolactate synthase inhibitors|alpha-acetolactate synthetase inhibitor|alpha-acetolactate synthetase inhibitors|pyruvate:pyruvate acetaldehydetransferase (decarboxylating) inhibitor|pyruvate:pyruvate acetaldehydetransferase (decarboxylating) inhibitors http://purl.obolibrary.org/obo/CHEBI_22180 3_STAR
CHEBI:22187 biolink:ChemicalSubstance acetophenones A class or aromatic ketone consisting of acetophenone, PhC(=O)CH3, and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_22187 3_STAR
CHEBI:22191 biolink:ChemicalSubstance acetyl phosphate(2-) Beilstein:3589395|CAS:19926-71-7|Gmelin:325632|PMID:23870140|PMID:24756028|UM-BBD_compID:c0049 phenio.json acetyl phosphate http://purl.obolibrary.org/obo/CHEBI_22191 3_STAR
CHEBI:22193 biolink:ChemicalSubstance acetyl-L-lysine An N-acetyl-L-amino acid that is the N-acetyl derivative of L-lysine. phenio.json http://purl.obolibrary.org/obo/CHEBI_22193 3_STAR
CHEBI:22194 biolink:ChemicalSubstance acetyl-L-serine An acetyl-amino acid in which the amino acid specified is L-serine. phenio.json acetyl-L-serines http://purl.obolibrary.org/obo/CHEBI_22194 3_STAR
CHEBI:22195 biolink:ChemicalSubstance acetyl-amino acid Any amino acid derivative that is the N-acetyl or O-acetyl derivative of an amino acid. phenio.json acetyl-amino acids http://purl.obolibrary.org/obo/CHEBI_22195 3_STAR
CHEBI:22198 biolink:ChemicalSubstance acetylcysteine phenio.json http://purl.obolibrary.org/obo/CHEBI_22198 3_STAR
CHEBI:2220 biolink:ChemicalSubstance 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside A disaccharide derivative consisting of any beta-D-glucopyranoside that has an beta-D-xylopyranosyl residue attached at position 6. MetaCyc:ALPHA-6-O-BETA-D-XYLOPYRANOSYL-BETA-D- phenio.json 6-O-(beta-D-xylosyl)-beta-D-glucoside|a 6-O-(beta-D-xylopyranosyl)-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_2220 3_STAR
CHEBI:22200 biolink:ChemicalSubstance acetylgentamycin phenio.json acetylgentamicin|acetylgentamycins http://purl.obolibrary.org/obo/CHEBI_22200 3_STAR
CHEBI:22201 biolink:ChemicalSubstance acetylkanamycin phenio.json acetylkanamycin|acetylkanamycins http://purl.obolibrary.org/obo/CHEBI_22201 3_STAR
CHEBI:22204 biolink:ChemicalSubstance acetylspermidine phenio.json http://purl.obolibrary.org/obo/CHEBI_22204 3_STAR
CHEBI:22205 biolink:ChemicalSubstance acetylspermine phenio.json http://purl.obolibrary.org/obo/CHEBI_22205 1_STAR
CHEBI:22210 biolink:ChemicalSubstance aconitate(3-) A tricarboxylic acid trianion that is the conjugate base of aconitic acid. Gmelin:364851 phenio.json prop-1-ene-1,2,3-tricarboxylate http://purl.obolibrary.org/obo/CHEBI_22210 3_STAR
CHEBI:22211 biolink:ChemicalSubstance aconitic acid A tricarboxylic acid that is prop-1-ene substituted by carboxy groups at positions 1, 2 and 3. CAS:499-12-7|Gmelin:185280|PMID:24702026|PMID:24710945|PMID:25011271|Reaxys:1725828|Wikipedia:Aconitic_acid phenio.json 1-propene-1,2,3-tricarboxylic acid|3-carboxy-2-pentenedioic acid|achilleic acid|citridic acid|equisetic acid|prop-1-ene-1,2,3-tricarboxylic acid http://purl.obolibrary.org/obo/CHEBI_22211 3_STAR
CHEBI:22213 biolink:ChemicalSubstance acridines phenio.json http://purl.obolibrary.org/obo/CHEBI_22213 3_STAR
CHEBI:22216 biolink:ChemicalSubstance acrylamides An enamide which is acrylamide or a derivative of acrylamide obtained by replacement of one or more of its hydrogens. PMID:20111795|PMID:22214428 phenio.json http://purl.obolibrary.org/obo/CHEBI_22216 3_STAR
CHEBI:222169 biolink:ChemicalSubstance (S)-nipecotic acid The (S)-enantiomer of nipecotic acid. Beilstein:81098 phenio.json (+)-hexahydronicotinic acid|(+)-nipecotic acid|(+)-piperidine-3-carboxylic acid|(3S)-(+)-piperidine-3-carboxylic acid|(3S)-hexahydronicotinic acid|(3S)-nipecotic acid|(3S)-piperidine-3-carboxylic acid|(S)-(+)-3-piperidinecarboxylic acid|(S)-(+)-nipecotic acid|(S)-Piperidine-3-carboxylic acid|(S)-hexahydronicotinic acid http://purl.obolibrary.org/obo/CHEBI_222169 3_STAR
CHEBI:22221 biolink:ChemicalSubstance acyl group An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids. phenio.json acyl group|acyl groups|alkanoyl|alkanoyl group|groupe acyle http://purl.obolibrary.org/obo/CHEBI_22221 3_STAR
CHEBI:222239 biolink:ChemicalSubstance Valilactone Chemspider:169154 phenio.json [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]heptan-2-yl] (2S)-2-ormamido-3-methylbutanoate http://purl.obolibrary.org/obo/CHEBI_222239 2_STAR
CHEBI:22229 biolink:ChemicalSubstance acylglutathione phenio.json http://purl.obolibrary.org/obo/CHEBI_22229 1_STAR
CHEBI:22231 biolink:ChemicalSubstance acylglycerone phosphate phenio.json acylglycerone phosphate|acylglycerone phosphates http://purl.obolibrary.org/obo/CHEBI_22231 3_STAR
CHEBI:222323 biolink:ChemicalSubstance Dimerumic acid Chemspider:4947731 phenio.json (E)-N,5-dihydroxy-N-[3-[5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]-3-methylpent-2-enamide http://purl.obolibrary.org/obo/CHEBI_222323 2_STAR
CHEBI:22235 biolink:ChemicalSubstance adamantanones A member of the class of adamantanes that is adamantane carrying at least one oxo group at unspecified position. phenio.json http://purl.obolibrary.org/obo/CHEBI_22235 3_STAR
CHEBI:22251 biolink:ChemicalSubstance adenosine bisphosphate phenio.json adenosine bisphosphates http://purl.obolibrary.org/obo/CHEBI_22251 3_STAR
CHEBI:22256 biolink:ChemicalSubstance adenosine phosphate phenio.json adenosine phosphates http://purl.obolibrary.org/obo/CHEBI_22256 3_STAR
CHEBI:22260 biolink:ChemicalSubstance adenosines Any purine ribonucleoside that is a derivative of adenosine. phenio.json http://purl.obolibrary.org/obo/CHEBI_22260 3_STAR
CHEBI:22266 biolink:ChemicalSubstance adipate semialdehyde phenio.json http://purl.obolibrary.org/obo/CHEBI_22266 1_STAR
CHEBI:22271 biolink:ChemicalSubstance aflatoxin Any of a group of related and highly toxic secondary metabolites (mycotoxins) whose main structural feature is a fused coumarin-bis(dihydrofuran) ring system and which are produced by strains of the moulds Aspergillus flavus or A. parasiticus, together with further metabolites of these mycotoxins PMID:11104412|PMID:18757582|PMID:20507532|PMID:25042713|PMID:25112578|PMID:25274127|PMID:25339440|PMID:25466118|Wikipedia:Aflatoxin phenio.json aflatoxins http://purl.obolibrary.org/obo/CHEBI_22271 3_STAR
CHEBI:22278 biolink:ChemicalSubstance alanine derivative An amino acid derivative resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of alanine by a heteroatom. The definition normally excludes peptides containing alanine residues. phenio.json http://purl.obolibrary.org/obo/CHEBI_22278 3_STAR
CHEBI:222828 biolink:ChemicalSubstance monoethylglycinexylidide Amino acid amide formed from 2,6-dimethylaniline and N-ethylglycine components; an active metabolite of lidocaine, formed by oxidative deethylation. Used as an indicator of hepatic function. CAS:7728-40-7|HMDB:HMDB0060656|KEGG:C16561|PMID:17296334|PMID:22212047|PMID:22452841|PMID:22468031|PMID:7071904|PMID:9989796|Reaxys:2417108 phenio.json 2-Ethylamino-2',6'-acetoxylidide|2-Ethylamino-2,6-acetoxylidine|Ethylglycylxylidide|Lidocaine N-de-ethylated metabolite|N-(2,6-Dimethylphenyl)-2-(ethylamino)acetamide|N-(2,6-dimethylphenyl)-N(2)-ethylglycinamide|N-Ethylglycinexylidide|norlidocaine|omega-(ethylamino)-2',6'-dimethylacetanilide http://purl.obolibrary.org/obo/CHEBI_222828 3_STAR
CHEBI:222862 biolink:ChemicalSubstance Methanobactin phenio.json (2S)-2-[[(8S,11R,16R,19S)-23-hydroxy-11-[[(2S)-3-hydroxy-2-[[2-[(5-hydroxy-2-propan-2-yloxycarbonyl-1H-imidazol-4-yl)sulanylcarbonylamino]acetyl]amino]propanoyl]amino]-19-(hydroxymethyl)-8-[(4-hydroxyphenyl)methyl]-7,10,18-trioxo-21-sulanylidene-13,14-dithia-6,9,17,20,24,25-hexazatricyclo[20.2.1.02,6]pentacosa-1(24),22-diene-16-carbonyl]amino]-4-methylsulanylbutanoic acid http://purl.obolibrary.org/obo/CHEBI_222862 2_STAR
CHEBI:22289 biolink:ChemicalSubstance aldaric acid anion phenio.json aldarate|aldarates|aldaric acid anions http://purl.obolibrary.org/obo/CHEBI_22289 3_STAR
CHEBI:2229 biolink:ChemicalSubstance 6-phospho-2-dehydro-D-gluconic acid A ketoaldonic acid phosphate that is the 6-phospho derivative of 2-dehydro-D-gluconic acid. KEGG:C01218|MetaCyc:CPD-339|Reaxys:26019655 phenio.json 2-Dehydro-D-gluconate 6-phosphate|6-O-phosphono-D-arabino-hex-2-ulosonic acid|6-O-phosphono-D-fructosonic acid|6-Phospho-2-dehydro-D-gluconate http://purl.obolibrary.org/obo/CHEBI_2229 3_STAR
CHEBI:22290 biolink:ChemicalSubstance aldaric acid Dicarboxylic acids formed from aldoses by replacement of both terminal groups (CHO and CH2OH) by carboxy groups. phenio.json aldaric acid|aldaric acids http://purl.obolibrary.org/obo/CHEBI_22290 3_STAR
CHEBI:22292 biolink:ChemicalSubstance alditol 1-phosphate phenio.json alditol 1-phosphate|alditol 1-phosphates http://purl.obolibrary.org/obo/CHEBI_22292 3_STAR
CHEBI:22294 biolink:ChemicalSubstance alditol 4-phosphate phenio.json alditol 4-phosphate|alditol 4-phosphates http://purl.obolibrary.org/obo/CHEBI_22294 3_STAR
CHEBI:22295 biolink:ChemicalSubstance alditol 5-phosphate phenio.json alditol 5-phosphate|alditol 5-phosphates http://purl.obolibrary.org/obo/CHEBI_22295 3_STAR
CHEBI:22297 biolink:ChemicalSubstance alditol phosphate phenio.json alditol phosphate|alditol phosphates http://purl.obolibrary.org/obo/CHEBI_22297 3_STAR
CHEBI:22299 biolink:ChemicalSubstance aldonate A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of an aldonic acid. phenio.json aldonate|aldonates http://purl.obolibrary.org/obo/CHEBI_22299 3_STAR
CHEBI:22300 biolink:ChemicalSubstance aldonic acid phosphate An aldonic acid in which at least one of the hydroxy groups has been phosphorylated. phenio.json aldonic acid phosphates http://purl.obolibrary.org/obo/CHEBI_22300 3_STAR
CHEBI:22301 biolink:ChemicalSubstance aldonic acid Any carbohydrate acid formed by oxidising the aldehyde functional group of an aldose to a carboxylic acid functional group. Aldonic acids have the general formula HOCH2[CH(OH)]nC(=O)OH. phenio.json aldonic acid|aldonic acids http://purl.obolibrary.org/obo/CHEBI_22301 3_STAR
CHEBI:22302 biolink:ChemicalSubstance aldonolactone phenio.json aldonolactones http://purl.obolibrary.org/obo/CHEBI_22302 3_STAR
CHEBI:22307 biolink:ChemicalSubstance aldoxime Oximes of aldehydes RCH=NOH. KEGG:C02658 phenio.json aldoxime|aldoximes http://purl.obolibrary.org/obo/CHEBI_22307 3_STAR
CHEBI:22313 biolink:ChemicalSubstance alkaline earth metal atom phenio.json Erdalkalimetall|Erdalkalimetalle|alkaline earth metal|alkaline earth metals|alkaline-earth metal|alkaline-earth metals|metal alcalino-terreux|metal alcalinoterreo|metales alcalinoterreos|metaux alcalino-terreux http://purl.obolibrary.org/obo/CHEBI_22313 3_STAR
CHEBI:22314 biolink:ChemicalSubstance alkali metal atom phenio.json Alkalimetall|Alkalimetalle|alkali metal|alkali metals|metal alcalin|metal alcalino|metales alcalinos|metaux alcalins http://purl.obolibrary.org/obo/CHEBI_22314 3_STAR
CHEBI:22315 biolink:ChemicalSubstance alkaloid Any of the naturally occurring, basic nitrogen compounds (mostly heterocyclic) occurring mostly in the plant kingdom, but also found in bacteria, fungi, and animals. By extension, certain neutral compounds biogenetically related to basic alkaloids are also classed as alkaloids. Amino acids, peptides, proteins, nucleotides, nucleic acids, amino sugars and antibiotics are not normally regarded as alkaloids. Compounds in which the nitrogen is exocyclic (dopamine, mescaline, serotonin, etc.) are usually classed as amines rather than alkaloids. Wikipedia:Alkaloid phenio.json Alkaloid|Alkaloide|alcaloide|alcaloides|alkaloids http://purl.obolibrary.org/obo/CHEBI_22315 3_STAR
CHEBI:22319 biolink:ChemicalSubstance alkanesulfinate phenio.json http://purl.obolibrary.org/obo/CHEBI_22319 1_STAR
CHEBI:22323 biolink:ChemicalSubstance alkyl group A univalent group -CnH2n+1 derived from an alkane by removal of a hydrogen atom from any carbon atom. phenio.json alkyl group|alkyl groups|groupe alkyle|grupo alquilo|grupos alquilo http://purl.obolibrary.org/obo/CHEBI_22323 3_STAR
CHEBI:22324 biolink:ChemicalSubstance alkyl phosphate phenio.json alkyl phosphates http://purl.obolibrary.org/obo/CHEBI_22324 3_STAR
CHEBI:22326 biolink:ChemicalSubstance S-alkylsulfenic acid Any SO-thioperoxol in which the substituent attached to sulfur is an alkyl group. KEGG:C02245|MetaCyc:Alkyl-Sulfenates phenio.json Alkyl sulfenate|S-alkyl-SO-thioperoxol|S-alkyl-SO-thioperoxols|S-alkylsulfenic acids|alkyl sulfenates|an S-alkyl sulfenate http://purl.obolibrary.org/obo/CHEBI_22326 3_STAR
CHEBI:22327 biolink:ChemicalSubstance aliphatic sulfide phenio.json aliphatic thioether|aliphatic thioethers http://purl.obolibrary.org/obo/CHEBI_22327 3_STAR
CHEBI:22329 biolink:ChemicalSubstance alkyl-sn-glycerol 3-phosphate phenio.json alkyl-sn-glycerol 3-phosphate|alkyl-sn-glycerol 3-phosphates http://purl.obolibrary.org/obo/CHEBI_22329 3_STAR
CHEBI:22331 biolink:ChemicalSubstance alkylamines Any amine formally derived from ammonia by replacing one, two or three hydrogen atoms by alkyl groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_22331 3_STAR
CHEBI:223316 biolink:ChemicalSubstance (+)-artemisinin A sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. CAS:63968-64-9|Drug_Central:3871|Gmelin:1755493|KEGG:C09538|KEGG:D02481|KNApSAcK:C00003359|LINCS:LSM-6546|LIPID_MAPS_instance:LMPR0103190003|MetaCyc:CPD-7561|PMID:15330155|PMID:18008167|PMID:19090980|PMID:22174561|PMID:7877142|PMID:8544181|Reaxys:4194670|Wikipedia:Artemisinin phenio.json (3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyloctahydro-3,12-epoxypyrano[4,3-j][1,2]benzodioxepin-10(3H)-one|1,5,9-trimethyl-(1R,4S,5R,9R,12S,13R)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-one|Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one|QHS|Qing Hau Sau|Qinghaosu|Quing Hau Sau|arteannuin|artemisinin|artemisinina|artemisinine|artemisininum|huanghuahaosu http://purl.obolibrary.org/obo/CHEBI_223316 3_STAR
CHEBI:22332 biolink:ChemicalSubstance alkylamino group Alkyl substituents attached to the remainder of a molecule via nitrogen. phenio.json alkylamino groups http://purl.obolibrary.org/obo/CHEBI_22332 3_STAR
CHEBI:22333 biolink:ChemicalSubstance alkylating agent Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases. phenio.json http://purl.obolibrary.org/obo/CHEBI_22333 3_STAR
CHEBI:22335 biolink:ChemicalSubstance alkylglycerone phosphate phenio.json alkylglycerone phosphate|alkylglycerone phosphates http://purl.obolibrary.org/obo/CHEBI_22335 3_STAR
CHEBI:22339 biolink:ChemicalSubstance alkyne Acyclic branched or unbranched hydrocarbons having a carbon-carbon triple bond and the general formula CnH2n-2, RC#CR. phenio.json alkyne|alkynes http://purl.obolibrary.org/obo/CHEBI_22339 3_STAR
CHEBI:22359 biolink:ChemicalSubstance alloisoleucine A 2-amino-3-methylpentanoic acid having either (2R,3S)- or (2S,3R)-configuration. DrugBank:DB01739 phenio.json alloisoleucine|rel-(2R,3S)-2-amino-3-methylpentanoic acid http://purl.obolibrary.org/obo/CHEBI_22359 3_STAR
CHEBI:22385 biolink:ChemicalSubstance alpha-D-glucan phenio.json alpha-D-glucans http://purl.obolibrary.org/obo/CHEBI_22385 3_STAR
CHEBI:22390 biolink:ChemicalSubstance alpha-D-glucoside phenio.json alpha-D-glucoside|alpha-D-glucosides|an alpha-D-glucoside http://purl.obolibrary.org/obo/CHEBI_22390 3_STAR
CHEBI:224037 biolink:ChemicalSubstance 3-sulfinato-L-alaninate(2-) Dianion of 3-sulfino-L-alanine arising from deprotonation of carboxy and sulfinate groups. phenio.json (2R)-2-amino-3-sulfinatopropanoate|3-sulfinato-L-alaninate|3-sulfinato-L-alaninate dianion http://purl.obolibrary.org/obo/CHEBI_224037 3_STAR
CHEBI:224292 biolink:ChemicalSubstance Eurystatin B Chemspider:4943815 phenio.json (E)-6-methyl-N-[7-methyl-3-(2-methylpropyl)-2,5,6,9-tetraoxo-1,4,8-triazacyclotridec-10-yl]oct-2-enamide http://purl.obolibrary.org/obo/CHEBI_224292 2_STAR
CHEBI:22440 biolink:ChemicalSubstance alpha-N-substituted L-arginine An L-arginine derivative that is L-arginine in which one of the hydrogens attached to the alpha-nitrogen has replaced by another atom or group. KEGG:C04026 phenio.json alpha-N-substituted L-arginines http://purl.obolibrary.org/obo/CHEBI_22440 3_STAR
CHEBI:22445 biolink:ChemicalSubstance alpha-aspartyl group phenio.json 2-amino-3-carboxypropanoyl|alpha-aspartyl|aspart-1-yl http://purl.obolibrary.org/obo/CHEBI_22445 3_STAR
CHEBI:22450 biolink:ChemicalSubstance (6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one Beilstein:707309|CAS:18172-33-3|KEGG:C03032 phenio.json (6aR,11aS,11bR)-10-acetyl-11-hydroxy-7,7-dimethyl-2,6,6a,7,11a,11b-hexahydro-9H-pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one|alpha-Cyclopiazonic acid|cyclopiazonic acid http://purl.obolibrary.org/obo/CHEBI_22450 3_STAR
CHEBI:22453 biolink:ChemicalSubstance alpha-glutamyl group phenio.json 2-amino-4-carboxybutanoyl|alpha-glutamyl|glutam-1-yl http://purl.obolibrary.org/obo/CHEBI_22453 3_STAR
CHEBI:22455 biolink:ChemicalSubstance alpha-hydroxynitrile A hydroxynitrile in which the hydroxy group is located on the carbon alpha to the carbonitrile group. phenio.json alpha-hydroxynitriles http://purl.obolibrary.org/obo/CHEBI_22455 3_STAR
CHEBI:2247 biolink:ChemicalSubstance 7,8-diaminononanoic acid An amino fatty acid carrying amino substituents at positions 7 and 8. Some of its isomers are naturally occurring intermediates of biotin synthesis, and targets of antimicrobial and herbicide development. Beilstein:1767544|CAS:21738-21-6|KEGG:C01037|KNApSAcK:C00000759|PMID:15937974|PMID:19345718 phenio.json 7,8-DAP|7,8-DAPA|7,8-Diaminononanoate|7,8-diaminononanoic acid|7,8-diaminopelargonic acid|DAP|DAPA http://purl.obolibrary.org/obo/CHEBI_2247 3_STAR
CHEBI:22470 biolink:ChemicalSubstance alpha-tocopherol A tocopherol that is chroman-6-ol substituted by methyl groups at positions 2, 5, 7 and 8 and a 4,8,12-trimethyltridecyl group at position 2. Beilstein:8176170|CAS:10191-41-0|KEGG:D02332|PMID:23949732|PMID:24683365|Wikipedia:Alpha-Tocopherol phenio.json (+-)-alpha-tocopherol|2,5,7,8-tetramethyl-2-(4',8',12'-trimethyltridecyl)-6-chromanol|E 307|E-307|E307|all-rac-alpha-tocopherol|dl-alpha-tocopherol|rel-(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-chromen-6-ol http://purl.obolibrary.org/obo/CHEBI_22470 3_STAR
CHEBI:22475 biolink:ChemicalSubstance amino acid amide An amide of an amino acid formed formally by conversion of the carboxy group to a carboxamido group. phenio.json http://purl.obolibrary.org/obo/CHEBI_22475 3_STAR
CHEBI:22478 biolink:ChemicalSubstance amino alcohol An alcohol containing an amino functional group in addition to the alcohol-defining hydroxy group. phenio.json amino alcohols|aminoalcohol|aminoalcohols http://purl.obolibrary.org/obo/CHEBI_22478 3_STAR
CHEBI:22479 biolink:ChemicalSubstance amino cyclitol glycoside phenio.json amino cyclitol glycoside|amino cyclitol glycosides http://purl.obolibrary.org/obo/CHEBI_22479 3_STAR
CHEBI:22480 biolink:ChemicalSubstance amino disaccharide A disaccharide derivative that is a disaccharide having one or more substituted or unsubstituted amino groups in place of hydroxy groups at unspecified positions. phenio.json amino-disaccharides http://purl.obolibrary.org/obo/CHEBI_22480 3_STAR
CHEBI:22483 biolink:ChemicalSubstance amino oligosaccharide phenio.json amino oligosaccharides http://purl.obolibrary.org/obo/CHEBI_22483 3_STAR
CHEBI:22484 biolink:ChemicalSubstance galactosamine oligosaccharide phenio.json galactosamine oligosaccharides http://purl.obolibrary.org/obo/CHEBI_22484 3_STAR
CHEBI:22485 biolink:ChemicalSubstance glucosamine oligosaccharide phenio.json glucosamine oligosaccharides http://purl.obolibrary.org/obo/CHEBI_22485 3_STAR
CHEBI:22487 biolink:ChemicalSubstance alpha-aminoacyl group A univalent carboacyl group formed by loss of OH from the carboxy group of an alpha-amino acid. phenio.json alpha-aminoacyl groups|aminoacyl group http://purl.obolibrary.org/obo/CHEBI_22487 3_STAR
CHEBI:22490 biolink:ChemicalSubstance aminoadipate semialdehyde phenio.json http://purl.obolibrary.org/obo/CHEBI_22490 1_STAR
CHEBI:22492 biolink:ChemicalSubstance amino aldehyde Any aldehyde which contains an amino group. PMID:17105264 phenio.json http://purl.obolibrary.org/obo/CHEBI_22492 3_STAR
CHEBI:22493 biolink:ChemicalSubstance aminobenzenesulfonate phenio.json aminobenzenesulfonate|aminobenzenesulfonates http://purl.obolibrary.org/obo/CHEBI_22493 3_STAR
CHEBI:22494 biolink:ChemicalSubstance aminobenzoate phenio.json aminobenzoates http://purl.obolibrary.org/obo/CHEBI_22494 3_STAR
CHEBI:22495 biolink:ChemicalSubstance aminobenzoic acid phenio.json Aminobenzoesaeure|aminobenzoic acid http://purl.obolibrary.org/obo/CHEBI_22495 3_STAR
CHEBI:22496 biolink:ChemicalSubstance aminobiphenyl Any member of the class of biphenyls in which the biphenyl skeleton is substituted by at least one amino group. phenio.json http://purl.obolibrary.org/obo/CHEBI_22496 3_STAR
CHEBI:22497 biolink:ChemicalSubstance aminobutanal Any member of the class of butanals carrying by at least one amino group on the butanal skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_22497 3_STAR
CHEBI:22500 biolink:ChemicalSubstance aminobutanoyl-CoA Any member of the class of butanoyl-CoAs having an aminobutanoyl group as the acyl substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_22500 3_STAR
CHEBI:22501 biolink:ChemicalSubstance aminodiol An amino alcohol having two hydroxy functional groups. phenio.json amino diol|amino diols|aminodiols http://purl.obolibrary.org/obo/CHEBI_22501 3_STAR
CHEBI:22506 biolink:ChemicalSubstance aminoglycan phenio.json aminoglycans http://purl.obolibrary.org/obo/CHEBI_22506 3_STAR
CHEBI:22507 biolink:ChemicalSubstance aminoglycoside antibiotic phenio.json aminoglycoside antibiotics http://purl.obolibrary.org/obo/CHEBI_22507 3_STAR
CHEBI:2251 biolink:ChemicalSubstance 7,8-dihydromethanopterin A member of the class of methanopterins resulting from the formal hydrogenation at the 7 and 8 positions of methanopterin. KEGG:C05927|MetaCyc:CPD-10789|PMID:12511515|PMID:15028691 phenio.json 1-[4-({(1R)-1-[(6S,7S)-2-amino-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-alpha-D-ribofuranosyl)-D-ribitol|DHMPT|H2MPT|dihydromethanopterin http://purl.obolibrary.org/obo/CHEBI_2251 3_STAR
CHEBI:22512 biolink:ChemicalSubstance aminoimidazole Any member of the class of imidazoles carrying at least one amino substituent. phenio.json aminoimidazoles http://purl.obolibrary.org/obo/CHEBI_22512 3_STAR
CHEBI:225237 biolink:ChemicalSubstance 2-phenylethanaminium The cation obtained by protonation of the amino group of 2-phenylethylamine. Beilstein:3539103|PDBeChem:PEA|PMID:10476872 phenio.json 2-phenylethanaminium|2-phenylethylamine|2-phenylethylammonium|Phenethyl-ammonium http://purl.obolibrary.org/obo/CHEBI_225237 3_STAR
CHEBI:225238 biolink:ChemicalSubstance benzylaminium The conjugate acid of benzylamine; major product at pH 7.3. Beilstein:12297043|Gmelin:324961|MetaCyc:BENZYLAMINE phenio.json benzylamine|benzylaminium cation|benzylaminium(1+)|benzylammmonium|phenylmethanaminium|phenylmethylaminium http://purl.obolibrary.org/obo/CHEBI_225238 3_STAR
CHEBI:22527 biolink:ChemicalSubstance aminopurine Any purine having at least one amino substituent. phenio.json aminopurines http://purl.obolibrary.org/obo/CHEBI_22527 3_STAR
CHEBI:22529 biolink:ChemicalSubstance amino sugar phosphate phenio.json amino sugar phosphate|amino sugar phosphates http://purl.obolibrary.org/obo/CHEBI_22529 3_STAR
CHEBI:22531 biolink:ChemicalSubstance aminotoluene Any member of the class of toluenes carrying one or more amino groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_22531 3_STAR
CHEBI:22532 biolink:ChemicalSubstance aminouracil phenio.json aminouracils http://purl.obolibrary.org/obo/CHEBI_22532 3_STAR
CHEBI:22542 biolink:ChemicalSubstance androstane-3,17-dione An androstanoid that is androstane substituted by oxo groups at positions 3 and 17. Wikipedia:Androstanedione phenio.json androstane-3,17-dione http://purl.obolibrary.org/obo/CHEBI_22542 3_STAR
CHEBI:2255 biolink:ChemicalSubstance 7beta-aminocephalosporanic acid The alpha,beta-unsaturated monocarboxylic acid that is the active nucleus for the synthesis of cephalosporins and intermediates. Beilstein:8919572|CAS:957-68-6|KEGG:C07756|LINCS:LSM-5737|PDBeChem:4KR|PMID:1384868|PMID:24003232|Reaxys:622638 phenio.json (6R,7R)-3-(acetoxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(7R)-7-Aminocephalosporanate|3-acetoxymethyl-7beta-amino-3,4-didehydrocepham-4-carboxylic acid|7-ACA|7-Aminocephalosporanic acid|7-Aminocephalosporinic acid http://purl.obolibrary.org/obo/CHEBI_2255 3_STAR
CHEBI:22557 biolink:ChemicalSubstance anhydrohexose Any anhydro sugar formally arising by elimination of water from two hydroxy groups of a single molecule of a hexose or hexose derivative. PMID:6453583 phenio.json anhydro hexose|anhydro hexoses|anhydrohexose|anhydrohexoses http://purl.obolibrary.org/obo/CHEBI_22557 3_STAR
CHEBI:22558 biolink:ChemicalSubstance anhydro sugar Intramolecular ethers formally arising by elimination of water from two hydroxy groups of a single molecule of a monosaccharide (aldose or ketose) or monosaccharide derivative. phenio.json anhydro sugar|anhydro sugars|anhydrosugars|sugar anhydride|sugar anhydrides http://purl.obolibrary.org/obo/CHEBI_22558 3_STAR
CHEBI:22562 biolink:ChemicalSubstance anilines Any aromatic amine that is benzene carrying at least one amino substituent and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_22562 3_STAR
CHEBI:22563 biolink:ChemicalSubstance anion A monoatomic or polyatomic species having one or more elementary charges of the electron. phenio.json Anion|Anionen|anion|aniones|anions http://purl.obolibrary.org/obo/CHEBI_22563 3_STAR
CHEBI:22565 biolink:ChemicalSubstance ansamycin A class of macrocyclic lactams that consist of an aromatic (phenyl or naphthyl) or quinonoid (benzoquinone or naphthoquinone) moiety that is bridged by an aliphatic chain. Wikipedia:Ansamycin phenio.json http://purl.obolibrary.org/obo/CHEBI_22565 3_STAR
CHEBI:22569 biolink:ChemicalSubstance anthocyanidin glucoside phenio.json anthocyanidin glucosides http://purl.obolibrary.org/obo/CHEBI_22569 3_STAR
CHEBI:22580 biolink:ChemicalSubstance anthraquinone phenio.json anthracenequinones|anthraquinones http://purl.obolibrary.org/obo/CHEBI_22580 3_STAR
CHEBI:22583 biolink:ChemicalSubstance antifeedant A substance that prevents pests from feeding. phenio.json antifeedants http://purl.obolibrary.org/obo/CHEBI_22583 3_STAR
CHEBI:22586 biolink:ChemicalSubstance antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. phenio.json antioxidants|antioxydant|antoxidant http://purl.obolibrary.org/obo/CHEBI_22586 3_STAR
CHEBI:22587 biolink:ChemicalSubstance antiviral agent A substance that destroys or inhibits replication of viruses. phenio.json anti-viral agent|anti-viral agents|antiviral|antiviral agents|antivirals http://purl.obolibrary.org/obo/CHEBI_22587 3_STAR
CHEBI:22590 biolink:ChemicalSubstance arabinan A polysaccharide composed of arabinose residues. KEGG:C02474|KEGG:G10584 phenio.json alpha-L-Araban|alpha-L-Arabinan|arabinans http://purl.obolibrary.org/obo/CHEBI_22590 3_STAR
CHEBI:22595 biolink:ChemicalSubstance arabinonate phenio.json http://purl.obolibrary.org/obo/CHEBI_22595 3_STAR
CHEBI:22598 biolink:ChemicalSubstance arabinonolactone phenio.json arabinonolactones http://purl.obolibrary.org/obo/CHEBI_22598 3_STAR
CHEBI:22599 biolink:ChemicalSubstance arabinose CAS:147-81-9|HMDB:HMDB0029942|Wikipedia:Arabinose phenio.json Ara|arabino-pentose|arabinose http://purl.obolibrary.org/obo/CHEBI_22599 3_STAR
CHEBI:2260 biolink:ChemicalSubstance 7-deoxyloganic acid A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1 and 7 by beta-D-glucosyloxy and methyl groups respectively (the 1S,4aS,7S,7aR-diatereomer). KEGG:C11636|MetaCyc:CPD-9981|PMID:11397448|PMID:17401822|PMID:24103035|Reaxys:1691468 phenio.json (1S,4aS,7S,7aR)-1-(beta-D-glucopyranosyloxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid|bis-desoxydihydromonotropein http://purl.obolibrary.org/obo/CHEBI_2260 3_STAR
CHEBI:22600 biolink:ChemicalSubstance arabinose phosphate phenio.json arabinose phosphate|arabinose phosphates http://purl.obolibrary.org/obo/CHEBI_22600 3_STAR
CHEBI:22601 biolink:ChemicalSubstance arabinoside phenio.json arabinoside|arabinosides http://purl.obolibrary.org/obo/CHEBI_22601 3_STAR
CHEBI:22603 biolink:ChemicalSubstance arabinoxylans phenio.json http://purl.obolibrary.org/obo/CHEBI_22603 3_STAR
CHEBI:22605 biolink:ChemicalSubstance arabinitol A pentitol that is the sugar alcohol produced by the reduction of arabinose or lyxose. It is found in serum or urine of human infected with Candida albicans. PMID:13525419|PMID:16435225|PMID:8204415|Wikipedia:Arabitol phenio.json arabitol http://purl.obolibrary.org/obo/CHEBI_22605 3_STAR
CHEBI:22617 biolink:ChemicalSubstance arginine derivative An amino acid derivative resulting from reaction of arginine at the amino group, the carboxy group, or the guanidyl group, or from the replacement of any hydrogen of arginine by a heteroatom. The definition normally excludes peptides containing arginine residues. phenio.json http://purl.obolibrary.org/obo/CHEBI_22617 3_STAR
CHEBI:22629 biolink:ChemicalSubstance arsenate ion phenio.json arsenate|arsenate anions|arsenate ions http://purl.obolibrary.org/obo/CHEBI_22629 3_STAR
CHEBI:22632 biolink:ChemicalSubstance arsenic molecular entity phenio.json arsenic compounds|arsenic molecular entities|arsenic molecular entity http://purl.obolibrary.org/obo/CHEBI_22632 3_STAR
CHEBI:22633 biolink:ChemicalSubstance arsenite ion An arsenic oxoanion resulting from the removal of one or more protons from arsenous acid. phenio.json arsenite anions|arsenite ions http://purl.obolibrary.org/obo/CHEBI_22633 3_STAR
CHEBI:22638 biolink:ChemicalSubstance organoarsonic acid Any organoarsenic compound that is the As-organyl derivative of arsonic acid. phenio.json organoarsonic acids http://purl.obolibrary.org/obo/CHEBI_22638 3_STAR
CHEBI:22644 biolink:ChemicalSubstance arylalkylamine phenio.json http://purl.obolibrary.org/obo/CHEBI_22644 1_STAR
CHEBI:22645 biolink:ChemicalSubstance arenecarboxamide A monocarboxylic acid amide in which the amide linkage is bonded directly to an arene ring system. phenio.json arenecarboxamides http://purl.obolibrary.org/obo/CHEBI_22645 3_STAR
CHEBI:22648 biolink:ChemicalSubstance arylmercury compound phenio.json http://purl.obolibrary.org/obo/CHEBI_22648 1_STAR
CHEBI:22651 biolink:ChemicalSubstance ascorbate A ketoaldonate that is the conjugate base of ascorbic acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_22651 3_STAR
CHEBI:22652 biolink:ChemicalSubstance ascorbic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_22652 3_STAR
CHEBI:22653 biolink:ChemicalSubstance asparagine An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group. CAS:3130-87-8|Gmelin:279043|KEGG:C16438|PMID:22264337|PMID:22770225|Reaxys:1723525|Wikipedia:Asparagine phenio.json 2,4-diamino-4-oxobutanoic acid|2-amino-3-carbamoylpropanoic acid|ASN|Asn|Asparagin|DL-Asparagine|Hasp|N|asparagina|asparagine http://purl.obolibrary.org/obo/CHEBI_22653 3_STAR
CHEBI:22654 biolink:ChemicalSubstance asparagine derivative An amino acid derivative resulting from reaction of asparagine at the amino group, the carboxy group, or the carboxamide, or from the replacement of any hydrogen of asparagine by a heteroatom. The definition normally excludes peptides containing asparagine residues. phenio.json http://purl.obolibrary.org/obo/CHEBI_22654 3_STAR
CHEBI:22656 biolink:ChemicalSubstance asparaginyl group phenio.json 2,4-diamino-4-oxobutanoyl|asparaginyl http://purl.obolibrary.org/obo/CHEBI_22656 3_STAR
CHEBI:22658 biolink:ChemicalSubstance aspartate family amino acid An L-alpha-amino acid which is L-aspartic acid or any of the essential amino acids biosynthesised from it (asparagine, lysine, methionine, threonine and isoleucine). A closed class. PMID:4386082|PMID:4394351|PMID:4721772|PMID:5016260|PMID:5074276 phenio.json aspartate family amino acids|aspartic acid family amino acid|aspartic acid family amino acids|oxaloacetate family amino acid|oxaloacetate family amino acids|oxaloacetate/aspartate family amino acid|oxaloacetate/aspartate family amino acids http://purl.obolibrary.org/obo/CHEBI_22658 3_STAR
CHEBI:22660 biolink:ChemicalSubstance aspartic acid An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent CAS:617-45-8|Gmelin:185140|KEGG:C16433|PMID:22264337|Reaxys:774618|Wikipedia:Aspartic_acid phenio.json (+-)-Aspartic acid|(R,S)-Aspartic acid|2-aminobutanedioic acid|Asp|Aspartic acid|D|DL-Aminosuccinic acid|DL-Asparagic acid|aspartic acid http://purl.obolibrary.org/obo/CHEBI_22660 3_STAR
CHEBI:22661 biolink:ChemicalSubstance aspartic acid derivative An amino acid derivative resulting from reaction of aspartic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of aspartic acid by a heteroatom. The definition normally excludes peptides containing aspartic acid residues. phenio.json http://purl.obolibrary.org/obo/CHEBI_22661 3_STAR
CHEBI:22669 biolink:ChemicalSubstance aspulvinone phenio.json aspulvinones http://purl.obolibrary.org/obo/CHEBI_22669 3_STAR
CHEBI:22676 biolink:ChemicalSubstance auxin Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow"). Wikipedia:Auxin phenio.json auxins http://purl.obolibrary.org/obo/CHEBI_22676 3_STAR
CHEBI:22680 biolink:ChemicalSubstance azide Any nitrogen molecular entity containing the group -N3. phenio.json azides http://purl.obolibrary.org/obo/CHEBI_22680 3_STAR
CHEBI:22681 biolink:ChemicalSubstance aziridines phenio.json http://purl.obolibrary.org/obo/CHEBI_22681 3_STAR
CHEBI:22682 biolink:ChemicalSubstance azobenzenes Any member of the wide class of molecules that share the core azobenzene structure, comprising two phenyl rings linked by a N=N double bond, which may have different functional groups extending from the rings. phenio.json azobenzenes http://purl.obolibrary.org/obo/CHEBI_22682 3_STAR
CHEBI:22689 biolink:ChemicalSubstance bafilomycin A1 The most used of the bafilomycins, a family of toxic macrolide antibiotics derived from Streptomyces griseus. Beilstein:3640011|Beilstein:4730699|CAS:88899-55-2|PMID:10519916|PMID:11533151|PMID:17917797|PMID:19067440|PMID:19289106|PMID:20820851|PMID:22344969|PMID:22943412|PMID:23038011|PMID:23480984|PMID:24890793|PMID:24977403|PMID:25512644|PMID:26156798|PMID:26242265|PMID:7817803|PMID:8446034|Reaxys:4730700 phenio.json (3Z,5E,7R,8S,9S,11E,13E,15S,16R)-16-{(2S,3R,4S)-4-[(2R,4R,5S,6R)-2,4-dihydroxy-6-isopropyl-5-methyltetrahydro-2H-pyran-2-yl]-3-hydroxypentan-2-yl}-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyloxacyclohexadeca-3,5,11,13-tetraen-2-one http://purl.obolibrary.org/obo/CHEBI_22689 3_STAR
CHEBI:22691 biolink:ChemicalSubstance barbiturate anion phenio.json http://purl.obolibrary.org/obo/CHEBI_22691 1_STAR
CHEBI:22693 biolink:ChemicalSubstance barbiturates Members of the class of pyrimidones consisting of pyrimidine-2,4,6(1H,3H,5H)-trione (barbituric acid) and its derivatives. Largest group of the synthetic sedative/hypnotics, sharing a characteristic six-membered ring structure. phenio.json barbiturates|barbituric acids http://purl.obolibrary.org/obo/CHEBI_22693 3_STAR
CHEBI:22695 biolink:ChemicalSubstance base A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base). KEGG:C00701 phenio.json Base|Base1|Base2|Basen|Nucleobase|base|bases http://purl.obolibrary.org/obo/CHEBI_22695 3_STAR
CHEBI:22698 biolink:ChemicalSubstance benzaldehydes Any arenecarbaldehyde that consists of a formyl substituted benzene ring and its substituted derivatives thereof. phenio.json http://purl.obolibrary.org/obo/CHEBI_22698 3_STAR
CHEBI:22702 biolink:ChemicalSubstance benzamides phenio.json http://purl.obolibrary.org/obo/CHEBI_22702 3_STAR
CHEBI:22706 biolink:ChemicalSubstance benzenetetrol Any member of the class of benzenes that is benzene substituted by four hydroxy groups at unspecified positions. phenio.json benzenetetrols http://purl.obolibrary.org/obo/CHEBI_22706 3_STAR
CHEBI:22707 biolink:ChemicalSubstance benzenetriol A triol in which three hydroxy groups are substituted onto a benzene ring. phenio.json benzenetriols|trihydroxybenzenes http://purl.obolibrary.org/obo/CHEBI_22707 3_STAR
CHEBI:22712 biolink:ChemicalSubstance benzenes Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_22712 3_STAR
CHEBI:22713 biolink:ChemicalSubstance arenesulfonate oxoanion phenio.json arenesulfonates http://purl.obolibrary.org/obo/CHEBI_22713 3_STAR
CHEBI:22715 biolink:ChemicalSubstance benzimidazoles An organic heterocyclic compound containing a benzene ring fused to an imidazole ring. phenio.json http://purl.obolibrary.org/obo/CHEBI_22715 3_STAR
CHEBI:22718 biolink:ChemicalSubstance benzoates A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any benzoic acid. phenio.json benzoate anion http://purl.obolibrary.org/obo/CHEBI_22718 3_STAR
CHEBI:22720 biolink:ChemicalSubstance benzodiazepine A group of heterocyclic compounds with a core structure containing a benzene ring fused to a diazepine ring. phenio.json benzodiazepines http://purl.obolibrary.org/obo/CHEBI_22720 3_STAR
CHEBI:22723 biolink:ChemicalSubstance benzoic acids Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group. phenio.json http://purl.obolibrary.org/obo/CHEBI_22723 3_STAR
CHEBI:22726 biolink:ChemicalSubstance benzophenones Any aromatic ketone in which the carbonyl group is bonded to 2 phenyl groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_22726 3_STAR
CHEBI:22727 biolink:ChemicalSubstance benzopyran Wikipedia:Benzopyran phenio.json benzopyrans http://purl.obolibrary.org/obo/CHEBI_22727 3_STAR
CHEBI:22728 biolink:ChemicalSubstance benzopyrrole phenio.json benzopyrroles http://purl.obolibrary.org/obo/CHEBI_22728 3_STAR
CHEBI:22729 biolink:ChemicalSubstance benzoquinones Any quinone resulting from the formal oxidation of catechol, hydroquinone, or their C-substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_22729 3_STAR
CHEBI:22730 biolink:ChemicalSubstance benzosemiquinones A semiquinone derived from a benzoquinone by formal addition of one hydrogen atom with its electron. phenio.json http://purl.obolibrary.org/obo/CHEBI_22730 3_STAR
CHEBI:22736 biolink:ChemicalSubstance benzoyl-CoAs Any aroyl-CoA in which the aroyl group is specified as benzoyl or its substituted derivative. phenio.json http://purl.obolibrary.org/obo/CHEBI_22736 3_STAR
CHEBI:2274 biolink:ChemicalSubstance 7-methylguanine A methylguanine that is guanine substituted by a methyl group at position 7. It is a metabolite obtained during the methylation of DNA. KEGG:C02242|PMID:16059882 phenio.json 7-Methylguanine http://purl.obolibrary.org/obo/CHEBI_2274 3_STAR
CHEBI:22743 biolink:ChemicalSubstance benzyl alcohols Compounds containing a phenylmethanol skeleton. phenio.json benzylic alcohol|benzylic alcohols http://purl.obolibrary.org/obo/CHEBI_22743 3_STAR
CHEBI:22744 biolink:ChemicalSubstance benzyl group phenio.json Bn|C6H5-CH2-|benzyl|phenylalanine side-chain|phenylmethyl http://purl.obolibrary.org/obo/CHEBI_22744 3_STAR
CHEBI:227454 biolink:ChemicalSubstance Trienomycin A phenio.json [(8E,10E,16Z)-15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] 2-(cyclohexanecarbonylamino)propanoate http://purl.obolibrary.org/obo/CHEBI_227454 2_STAR
CHEBI:22746 biolink:ChemicalSubstance 2-benzylsuccinyl-CoA An omega-carboxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-benzylsuccinic acid. phenio.json 2-benzylsuccinoyl-coenzyme A|2-benzylsuccinyl-CoA|2-benzylsuccinyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(2-benzyl-3-carboxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|Benzylsuccinyl-CoA http://purl.obolibrary.org/obo/CHEBI_22746 3_STAR
CHEBI:22748 biolink:ChemicalSubstance benzyl 2-methyl-3-hydroxybutanoate A fatty acid ester obtained by the formal condensation of hydroxy group of benzyl alcohol with the carboxy group of 3-hydroxy-2-methylbutanoic acid. phenio.json benzyl 3-hydroxy-2-methylbutanoate http://purl.obolibrary.org/obo/CHEBI_22748 3_STAR
CHEBI:22750 biolink:ChemicalSubstance benzylisoquinoline alkaloid Any isoquinoline alkaloid based on a benzylisoquinoline skeleton. phenio.json benzylisoquinoline alkaloids http://purl.obolibrary.org/obo/CHEBI_22750 3_STAR
CHEBI:22754 biolink:ChemicalSubstance berberine alkaloid phenio.json berberine alkaloid|berberine alkaloids|berberines http://purl.obolibrary.org/obo/CHEBI_22754 3_STAR
CHEBI:22778 biolink:ChemicalSubstance beta-D-galactosyl groups Any galactosyl group obtained by removing the hydroxy group from the hemiacetal function of beta-D-galactose or of an oligosaccharide with beta-D-galactose at its reducing end. phenio.json http://purl.obolibrary.org/obo/CHEBI_22778 3_STAR
CHEBI:22798 biolink:ChemicalSubstance beta-D-glucoside Any D-glucoside in which the anomeric centre has beta-configuration. KEGG:C00963 phenio.json a beta-D-glucoside|beta-D-glucoside|beta-D-glucosides http://purl.obolibrary.org/obo/CHEBI_22798 3_STAR
CHEBI:22801 biolink:ChemicalSubstance beta-D-glucosyl-N-acylsphingosine A D-glucosyl-N-acylsphingosine in which the glucosyl head group has beta-configuration at the anomeric centre. MetaCyc:Glucosyl-acyl-sphingosines|PMID:10320813|PMID:1551920|PMID:19818503|PMID:2448252|PMID:7150587|PMID:9593693 phenio.json GlcCer|N-[(2S,3R,4E)-1-(beta-D-glucopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]alkanamide|a beta-D-glucosyl-(1<->1')-N-acylsphing-4-enine|beta-D-Glc-(1<->1)-Cer|beta-D-Glc-Cer|beta-D-Glcp-(1<->1)-Cer|beta-D-Glcp-Cer|beta-D-glucosyl-(1<->1)-ceramide|beta-D-glucosylceramide|beta-D-glucosylceramides http://purl.obolibrary.org/obo/CHEBI_22801 3_STAR
CHEBI:228138 biolink:ChemicalSubstance antinociceptive agent Any agent that inhibits nociception. PMID:37851902 phenio.json antinociceptive agents http://purl.obolibrary.org/obo/CHEBI_228138 3_STAR
CHEBI:228187 biolink:ChemicalSubstance hexacosanol A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of twenty-six carbon atoms. phenio.json hexacosanols|hydroxyhexacosane|hydroxyhexacosanes http://purl.obolibrary.org/obo/CHEBI_228187 3_STAR
CHEBI:228218 biolink:ChemicalSubstance urobilinogen(2-) Major species at pH 7.3. MetaCyc:CPD-17978|PMID:38172624 phenio.json urobilinogen http://purl.obolibrary.org/obo/CHEBI_228218 2_STAR
CHEBI:22823 biolink:ChemicalSubstance beta-alanine derivative phenio.json http://purl.obolibrary.org/obo/CHEBI_22823 1_STAR
CHEBI:228231 biolink:ChemicalSubstance 1,2-diacyl-3-linoleoylglycerol A triglyceride where at least one of the primary OH groups in the glycerol backbone has a linoleoyl chain. phenio.json 1-(9Z,12Z-octadecadienoyl)-2,3-diacylglycerol|1-linoleoyl-2,3-diacylglycerol|a 1,2-diacyl-3-(9Z,12Z-octadecadienoyl)-glycerol http://purl.obolibrary.org/obo/CHEBI_228231 2_STAR
CHEBI:228232 biolink:ChemicalSubstance 1,3-diacyl-2-linoleoylglycerol A triglyceride where at least the sn-2 position in the glycerol backbone has a linoleoyl chain. phenio.json 1,3-diacyl-2-(9Z,12Z-octadecadienoyl)-glycerol|a 1,3-diacyl-2-(9Z,12Z-octadecadienoyl)-glycerol http://purl.obolibrary.org/obo/CHEBI_228232 2_STAR
CHEBI:228254 biolink:ChemicalSubstance beta-D-galactosyl-5''-O-queuosine 5'-phosphate(1-) residue PMID:37992713 phenio.json beta-D-galactosyl-5''-O-queuosine 5'-phosphate residue http://purl.obolibrary.org/obo/CHEBI_228254 2_STAR
CHEBI:228255 biolink:ChemicalSubstance (R)-3-methyl-2-oxovalerate PMID:31420577 phenio.json (3R)-3-methyl-2-oxopentanoate|(R)-3-methyl-2-oxopentanoate http://purl.obolibrary.org/obo/CHEBI_228255 2_STAR
CHEBI:228307 biolink:ChemicalSubstance Glucogallin Chemspider:110791 phenio.json [(3R,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl] 3,4,5-trihydroxybenzoate http://purl.obolibrary.org/obo/CHEBI_228307 2_STAR
CHEBI:228364 biolink:ChemicalSubstance NMR chemical shift reference compound Any compound that produces a peak used as reference frequency in the delta chemical shift scale. phenio.json NMR chemical shift reference compounds|NMR chemical shift standard|NMR chemical shift standards|NMR internal standard|NMR internal standards|NMR reference standard|NMR reference standards http://purl.obolibrary.org/obo/CHEBI_228364 3_STAR
CHEBI:22838 biolink:ChemicalSubstance beta-cyclopiazonic acid phenio.json beta-Cyclopiazonsaeure|beta-Zyklopiazonsaeure http://purl.obolibrary.org/obo/CHEBI_22838 3_STAR
CHEBI:22860 biolink:ChemicalSubstance amino-acid betaine Any amino acid-derived zwitterion - such as glycine betaine (N,N,N-trimethylammonioacetate) - in which the ammonium nitrogen carries methyl substituents and bears no hydrogen atoms. phenio.json amino acid betaines|amino-acid betaines|betaines http://purl.obolibrary.org/obo/CHEBI_22860 3_STAR
CHEBI:22861 biolink:ChemicalSubstance betalain Any of a group of coloured alkaloids occurring widely in plants of the order Centrospermae. They are divided into two groups, betacyanins and betaxanthins, and both occur in plant vacuoles. CAS:37279-84-8 phenio.json betalains http://purl.obolibrary.org/obo/CHEBI_22861 3_STAR
CHEBI:22866 biolink:ChemicalSubstance bilanes phenio.json http://purl.obolibrary.org/obo/CHEBI_22866 1_STAR
CHEBI:22868 biolink:ChemicalSubstance bile salt A sodium salt of the conjugate of any bile acid with either glycine or taurine. KEGG:C01558 phenio.json Bile acid|bile salts http://purl.obolibrary.org/obo/CHEBI_22868 3_STAR
CHEBI:22869 biolink:ChemicalSubstance bilins phenio.json http://purl.obolibrary.org/obo/CHEBI_22869 1_STAR
CHEBI:22872 biolink:ChemicalSubstance (glucosyluronic acid)bilirubin phenio.json (glucosyluronic acid)bilirubins|bilirubin glucuronosides http://purl.obolibrary.org/obo/CHEBI_22872 3_STAR
CHEBI:2288 biolink:ChemicalSubstance 7alpha,12alpha-dihydroxy-5beta-cholestan-3-one A 3-oxo-5beta-steroid that is 5beta-cholestan-3-one bearing two additional hydroxy substituents at positions 7alpha and 12alpha. HMDB:HMDB0006887|KEGG:C05453|LIPID_MAPS_instance:LMST04030113|MetaCyc:CPD-10503|Reaxys:3163548 phenio.json 5beta-Cholesten-7alpha,12alpha-diol-3-one|5beta-cholestane-7alpha,12alpha-diol-3-one|7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one|7alpha,12alpha-dihydroxy-5beta-cholestan-3-one http://purl.obolibrary.org/obo/CHEBI_2288 3_STAR
CHEBI:228804 biolink:ChemicalSubstance primary methyl ammonium ion An ammonium ion derivative resulting from the protonation of the nitrogen atom of a primary methyl amino compound. Major species at pH 7.3. phenio.json a primary methyl amine http://purl.obolibrary.org/obo/CHEBI_228804 2_STAR
CHEBI:22881 biolink:ChemicalSubstance biopterins MetaCyc:All-Biopterines phenio.json http://purl.obolibrary.org/obo/CHEBI_22881 3_STAR
CHEBI:22888 biolink:ChemicalSubstance biphenyls Benzenoid aromatic compounds containing two phenyl or substituted-phenyl groups which are joined together by a single bond. phenio.json http://purl.obolibrary.org/obo/CHEBI_22888 3_STAR
CHEBI:22894 biolink:ChemicalSubstance Mo(=O)-bis(molybdopterin guanine dinucleotide) An Mo-molybdopterin cofactor comprising two molecules of molybdopterin guanine dinucleotide attached via their sulfur atoms to a central Mo(=O) moiety. phenio.json Mo(Dtpp-mGDP)2|bis(molybdopterin guanine dinucleotide)molybdenum|bis{5'-O-[{[{[(5aR,8R,9aR)-2-amino-4-oxo-6,7-bis(sulfanyl-kappaS)-3,5,5a,8,9a,10-hexahydro-4H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosinato(2-)}(oxido)molybdenum|molybdate-bis(molybdopterin guanine dinucleotide) http://purl.obolibrary.org/obo/CHEBI_22894 3_STAR
CHEBI:22899 biolink:ChemicalSubstance bisdechlorogeodin Beilstein:1299115|CAS:3209-31-2 phenio.json 4-hydroxy-6'-methoxy-6-methyl-3,4'-dioxo-spiro(benzofuran-2(3H),1'-(2,5)cyclohexadiene)-2'-carboxylic acid methyl ester|bis-dechlorogeodin|bisdechlorogeodin|methyl 4-hydroxy-6-methyl-4'-oxo-3H-spiro[1-benzofuran-2,1'-cyclohexa[2,5]diene]-2'-carboxylate http://purl.obolibrary.org/obo/CHEBI_22899 3_STAR
CHEBI:2290 biolink:ChemicalSubstance 7alpha-hydroxy-5beta-cholestan-3-one A 3-oxo-5beta-steroid that is 5beta-cholestan-3-one bearing an additional hydroxy substituent at position 7alpha . Beilstein:2300476|HMDB:HMDB0006892|KEGG:C05451|LIPID_MAPS_instance:LMST04030112|MetaCyc:CPD-10548|Reaxys:3159830 phenio.json 5beta-Cholestan-7alpha-ol-3-one|5beta-cholestan-7alpha-ol-3-one|7alpha-Hydroxy-5beta-cholestan-3-one|7alpha-hydroxy-5beta-cholestan-3-one http://purl.obolibrary.org/obo/CHEBI_2290 3_STAR
CHEBI:22901 biolink:ChemicalSubstance bisphenol By usage, the methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone). The term also includes analogues in the the methylene (or substituted methylene) group has been replaced by a heteroatom. Wikipedia:Bisphenol phenio.json bisphenols http://purl.obolibrary.org/obo/CHEBI_22901 3_STAR
CHEBI:22902 biolink:ChemicalSubstance bisphosphoglyceric acid A glyceric acid phosphate in which both of the hydroxy groups have been phosphorylated. phenio.json bisphosphoglyceric acid|bisphosphoglyceric acids http://purl.obolibrary.org/obo/CHEBI_22902 3_STAR
CHEBI:22905 biolink:ChemicalSubstance blasticidin phenio.json blasticidins http://purl.obolibrary.org/obo/CHEBI_22905 3_STAR
CHEBI:22907 biolink:ChemicalSubstance bleomycin A glycopeptide produced by the bacterium Streptomyces verticillus. The term, 'bleomycin' refers to a family of structurally related compounds. When used as an anti-cancer agent, the chemotherapeutical forms are primarily bleomycin A2 and B2. DrugBank:DB00290|Wikipedia:Bleomycin phenio.json http://purl.obolibrary.org/obo/CHEBI_22907 3_STAR
CHEBI:22908 biolink:ChemicalSubstance borate Gmelin:164057 phenio.json (BO3)3-|BO3(3-)|[BO3](3-)|borate|borate ion|trioxidoborate(3-)|trioxoborate(3-) ion|trioxoborate(III) anion http://purl.obolibrary.org/obo/CHEBI_22908 3_STAR
CHEBI:22909 biolink:ChemicalSubstance borate ion Any inorganic anion that is formally derived from boric acid. The term includes polymeric anions containing chains of BO3 structural units sharing one oxygen atom (e.g. di-, tri-, and tetraborates) as well as chains or rings sharing two oxygen atoms (e.g. metaborates). Wikipedia:Borate phenio.json borate anions|borate ion|borate ions http://purl.obolibrary.org/obo/CHEBI_22909 3_STAR
CHEBI:22912 biolink:ChemicalSubstance bornane monoterpenoid phenio.json bornane monoterpenoids http://purl.obolibrary.org/obo/CHEBI_22912 3_STAR
CHEBI:22916 biolink:ChemicalSubstance boron molecular entity phenio.json boron compounds|boron molecular entities|boron molecular entity http://purl.obolibrary.org/obo/CHEBI_22916 3_STAR
CHEBI:22917 biolink:ChemicalSubstance phytogenic insecticide An insecticide compound naturally occurring in plants. phenio.json botanical insecticide|botanical insecticides|phytogenic insecticides http://purl.obolibrary.org/obo/CHEBI_22917 3_STAR
CHEBI:22918 biolink:ChemicalSubstance branched-chain amino acid Any amino acid in which the parent hydrocarbon chain has one or more alkyl substituents phenio.json branched chain amino acids http://purl.obolibrary.org/obo/CHEBI_22918 3_STAR
CHEBI:22921 biolink:ChemicalSubstance brassinosteroid Wikipedia:Brassinosteroid phenio.json brassinosteroids http://purl.obolibrary.org/obo/CHEBI_22921 3_STAR
CHEBI:22925 biolink:ChemicalSubstance bromide salt phenio.json bromide salts|bromides http://purl.obolibrary.org/obo/CHEBI_22925 3_STAR
CHEBI:22926 biolink:ChemicalSubstance bromohydrocarbon A compound derived from a hydrocarbon by replacing a hydrogen atom with a bromine atom. phenio.json brominated hydrocarbons|bromohydrocarbons http://purl.obolibrary.org/obo/CHEBI_22926 3_STAR
CHEBI:22927 biolink:ChemicalSubstance bromine atom WebElements:Br phenio.json 35Br|Br|Brom|brome|bromine|bromo|bromum http://purl.obolibrary.org/obo/CHEBI_22927 3_STAR
CHEBI:22928 biolink:ChemicalSubstance bromine molecular entity phenio.json bromine compounds|bromine molecular entities|bromine molecular entity http://purl.obolibrary.org/obo/CHEBI_22928 3_STAR
CHEBI:22929 biolink:ChemicalSubstance bromoalkane Any haloalkane that consists of an alkane substituted by at least one bromine atom. phenio.json alkyl bromide|alkyl bromides|bromoalkanes http://purl.obolibrary.org/obo/CHEBI_22929 3_STAR
CHEBI:22930 biolink:ChemicalSubstance bromoamino acid An amino acid containing at least one bromo substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_22930 3_STAR
CHEBI:22934 biolink:ChemicalSubstance bufanolide phenio.json bufanolide http://purl.obolibrary.org/obo/CHEBI_22934 3_STAR
CHEBI:22939 biolink:ChemicalSubstance butanals An aldehyde based on a butanal skeleton and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_22939 3_STAR
CHEBI:22944 biolink:ChemicalSubstance butanediols A diol that is a butanediol or a derivative of a butanediol. phenio.json http://purl.obolibrary.org/obo/CHEBI_22944 3_STAR
CHEBI:229467 biolink:ChemicalSubstance D-hexose 6-phosphate(2-) A D-hexose phosphate(2-) that is the conjugate base of D-hexose 6-phosphate resulting from the deprotonation of the phosphate OH groups; Major microspecies at pH 7.3. phenio.json a D-hexose 6-phosphate http://purl.obolibrary.org/obo/CHEBI_229467 3_STAR
CHEBI:22950 biolink:ChemicalSubstance butan-4-olide Any gamma-lactone having the lactone moiety derived from 4-hydroxybutanoic acid. phenio.json butan-4-olides|butanolide http://purl.obolibrary.org/obo/CHEBI_22950 3_STAR
CHEBI:22951 biolink:ChemicalSubstance butanone Any ketone that is butane substituted by an oxo group at unspecified position. phenio.json butanones http://purl.obolibrary.org/obo/CHEBI_22951 3_STAR
CHEBI:229537 biolink:ChemicalSubstance rebaudioside B A rebaudioside that is steviol in which the hydroxy group is replaced by a beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl group. CAS:58543-17-2|FooDB:FDB013542|HMDB:HMDB0034949|KNApSAcK:C00057458|LIPID_MAPS_instance:LMPR01040125|PMID:10737190|PMID:22580424|PMID:23203115|PMID:23451373|PMID:23896597|PMID:24361573|PMID:25296637|PMID:27513814|PMID:30897351|PMID:31491712|PMID:33218179 phenio.json (4alpha)-13-[(O-beta-D-Glucopyranosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid|13alpha-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid|13alpha-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}-5beta,8alpha,9beta,10alpha-kaur-16-en-18-oic acid|Reb B|stevioside a4 http://purl.obolibrary.org/obo/CHEBI_229537 3_STAR
CHEBI:22954 biolink:ChemicalSubstance butanoyl-CoAs Any short-chain fatty acyl-CoA in which the acyl group specified is butanoyl or its substituted derivative. phenio.json butanoyl-CoAs http://purl.obolibrary.org/obo/CHEBI_22954 3_STAR
CHEBI:229543 biolink:ChemicalSubstance sulbactam(1-) A monocarboxylic acid anion that is the conjugate base of sulbactam resulting from the deprotonation of the carboxy group; Major species at pH 7.3. phenio.json (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide|sulbactam anion http://purl.obolibrary.org/obo/CHEBI_229543 3_STAR
CHEBI:229555 biolink:ChemicalSubstance 6-O-methyldeacetylisoipecoside(1+) An organic cation that is the conjugate acid of 6-O-methyldeacetylisoipecoside, arising from protonation of the secondary amino group; major species at pH 7.3 phenio.json 6-O-methyl-N-deacetylisoipecoside http://purl.obolibrary.org/obo/CHEBI_229555 2_STAR
CHEBI:229556 biolink:ChemicalSubstance 6-O-methyldeacetylisoipecoside aglycone(1+) An organic cation that is the conjugate acid of 6-O-methyldeacetylisoipecoside aglycone, arising from protonation of the secondary amino group; major species at pH 7.3. MetaCyc:CPD-14813|PMID:18927081 phenio.json 6-O-methyl-N-deacetylisoipecoside aglycone http://purl.obolibrary.org/obo/CHEBI_229556 2_STAR
CHEBI:229573 biolink:ChemicalSubstance puerarin(1-) Major microspecies at pH 7.3 PMID:25199800|PMID:34728636 phenio.json puerarin http://purl.obolibrary.org/obo/CHEBI_229573 2_STAR
CHEBI:229578 biolink:ChemicalSubstance a 2-iminiocarboxylate phenio.json a 2-iminocarboxylate http://purl.obolibrary.org/obo/CHEBI_229578 2_STAR
CHEBI:229579 biolink:ChemicalSubstance di-L-cysteinyl-trisulfide residue Two L-cysteine residues linked by a trisulfide bridge PMID:26680199 phenio.json di-L-cysteinyl-trisulfide residue http://purl.obolibrary.org/obo/CHEBI_229579 2_STAR
CHEBI:22958 biolink:ChemicalSubstance butenedioic acid Beilstein:8132074 phenio.json 2-butenedioic acid|but-2-enedioic acid http://purl.obolibrary.org/obo/CHEBI_22958 3_STAR
CHEBI:22959 biolink:ChemicalSubstance butenoic acid Any C4, straight-chain fatty acid containing one double bond. DrugBank:DB02074 phenio.json butenoic acid http://purl.obolibrary.org/obo/CHEBI_22959 3_STAR
CHEBI:22961 biolink:ChemicalSubstance butenoyl-CoA phenio.json butenoyl-CoAs http://purl.obolibrary.org/obo/CHEBI_22961 3_STAR
CHEBI:229627 biolink:ChemicalSubstance long-chain fatty acyl-L-carnitine phenio.json a long-chain fatty acyl-L-carnitine|long-chain fatty acyl-(R)-carnitine http://purl.obolibrary.org/obo/CHEBI_229627 2_STAR
CHEBI:229628 biolink:ChemicalSubstance medium-chain fatty acyl-L-carnitine phenio.json a medium-chain fatty acyl-L-carnitine|medium-chain fatty acyl-(R)-carnitine http://purl.obolibrary.org/obo/CHEBI_229628 2_STAR
CHEBI:229629 biolink:ChemicalSubstance short-chain fatty acyl-L-carnitine phenio.json a short-chain fatty acyl-L-carnitine|short-chain fatty acyl-(R)-carnitine http://purl.obolibrary.org/obo/CHEBI_229629 2_STAR
CHEBI:229639 biolink:ChemicalSubstance S-(alpha-chlorocarboxymethyl)glutathione Product of glutathion transfer onto dichloroacette (DCA), catalyzed by GSTZ1 PMID:11327815 phenio.json http://purl.obolibrary.org/obo/CHEBI_229639 2_STAR
CHEBI:229647 biolink:ChemicalSubstance gepirone(1+) A tertiary ammonium ion that is conjugate acid of gepirone resulting from the protonation of the piperazine nitrogen; Major species at pH 7.3. phenio.json 1-[4-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)butyl]-4-(pyrimidin-2-yl)piperazin-1-ium|gepirone cation http://purl.obolibrary.org/obo/CHEBI_229647 3_STAR
CHEBI:22965 biolink:ChemicalSubstance butanamides A fatty amide derived based on a butanamide skeleton and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_22965 3_STAR
CHEBI:229668 biolink:ChemicalSubstance complement component 5 inhibitor Any inhibitor of complement component 5. Wikipedia:Complement_component_5 phenio.json C5 inhibitor|C5 inhibitors|complement component 5 inhibitors http://purl.obolibrary.org/obo/CHEBI_229668 3_STAR
CHEBI:229684 biolink:ChemicalSubstance fatty amide anion The conjugate base of a fatty amide, arising from deprotonation of the carboxylic acid group of the corresponding fatty amide. phenio.json fatty amide anions http://purl.obolibrary.org/obo/CHEBI_229684 3_STAR
CHEBI:229687 biolink:ChemicalSubstance pentostatin(1+) An organic cation that is the conjugate acid of pentostatin arising from protonation of the imine nitrogen; Major microspecies at pH 7.3. PMID:29056419 phenio.json (8R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-8-hydroxy-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-4-ium|pentostatin|pentostatin cation http://purl.obolibrary.org/obo/CHEBI_229687 3_STAR
CHEBI:22970 biolink:ChemicalSubstance butynediol Any acetylenic compound that is butyne substituted by two hydroxy groups at unspecified positions. phenio.json butynediols http://purl.obolibrary.org/obo/CHEBI_22970 3_STAR
CHEBI:229701 biolink:ChemicalSubstance cis-4-hydroxycyclohexane-1-carboxylate The conjugate base of cis-4-hydroxycyclohexane-1-carboxylic acid; major species at pH 7.3. MetaCyc:CPD-26867|PMID:34583900 phenio.json cis-4-hydroxycyclohexane-1-carboxylate http://purl.obolibrary.org/obo/CHEBI_229701 2_STAR
CHEBI:229723 biolink:ChemicalSubstance S-(hydroxysulfenamide)glutathione(1-) An hydroxysulfenamide glutathione peptide anion; major microspecies at pH 7.3. MetaCyc:CPD-19217|PMID:30795534 phenio.json GSNHOH|S-(hydroxysulfenamide)glutathione http://purl.obolibrary.org/obo/CHEBI_229723 2_STAR
CHEBI:229728 biolink:ChemicalSubstance 3,4-dimethoxy-(E)-cinnamate A cinnamate that is the conjugate base of 3,4-dimethoxycinnamic acid resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3. PMID:38415939 phenio.json (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate|(E)-3,4-dimethoxycinnamate|(E)-3-(3,4-dimethoxyphenyl)prop-2-enoate|3,4-dimethoxy-(E)-cinnamate|3,4-dimethoxy-trans-cinnamate|3,4-dimethoxycinnamate|3-(3,4-dimethoxyphenyl)-(E)-2-propenoate http://purl.obolibrary.org/obo/CHEBI_229728 3_STAR
CHEBI:22976 biolink:ChemicalSubstance cadinene Any sesquiterpene having a cadinane skeleton containing one or more C=C bonds. Wikipedia:Cadinene phenio.json cadinenes http://purl.obolibrary.org/obo/CHEBI_22976 3_STAR
CHEBI:22977 biolink:ChemicalSubstance cadmium atom CAS:7440-43-9|KEGG:C01413|WebElements:Cd phenio.json 48Cd|Cd|Kadmium|cadmio|cadmium http://purl.obolibrary.org/obo/CHEBI_22977 3_STAR
CHEBI:22978 biolink:ChemicalSubstance cadmium molecular entity phenio.json cadmium compounds|cadmium molecular entities http://purl.obolibrary.org/obo/CHEBI_22978 3_STAR
CHEBI:22984 biolink:ChemicalSubstance calcium atom CAS:7440-70-2|DrugBank:DB01373|KEGG:C00076|WebElements:Ca phenio.json 20Ca|Ca|Calcium|Kalzium|calcio|calcium http://purl.obolibrary.org/obo/CHEBI_22984 3_STAR
CHEBI:22985 biolink:ChemicalSubstance calcium molecular entity phenio.json calcium compounds|calcium molecular entities|calcium molecular entity http://purl.obolibrary.org/obo/CHEBI_22985 3_STAR
CHEBI:22986 biolink:ChemicalSubstance calcium ionophore phenio.json calcium ionophores http://purl.obolibrary.org/obo/CHEBI_22986 3_STAR
CHEBI:22990 biolink:ChemicalSubstance camalexin An indole phytoalexin that is indole substituted at position 3 by a 1,3-thiazol-2-yl group. MetaCyc:THIAZOL-YL-INDOLE|PMID:19567706|PMID:21239642|PMID:21910963|PMID:21985584|PMID:22209038|PMID:22295908|PMID:22342657|PMID:22350766|PMID:22392279|PMID:22522512|PMID:22624950|PMID:22783269|Reaxys:4310041 phenio.json 3-(1,3-thiazol-2-yl)-1H-indole|3-thiazol-2'-yl-indole|camalexin http://purl.obolibrary.org/obo/CHEBI_22990 3_STAR
CHEBI:229947 biolink:ChemicalSubstance phenio.json http://purl.obolibrary.org/obo/CHEBI_229947
CHEBI:22998 biolink:ChemicalSubstance canadine A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10. CAS:522-97-4|LINCS:LSM-21633|PMID:23747414|PMID:24324259|PMID:25093987|Reaxys:96683|Wikipedia:Canadine phenio.json 5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)-1,3-benzodioxolo(5,6-a)quinolizine|5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo(g)benzo-1,3-dioxolo(5,6-a)quinolizine|9,10-dimethoxy-2,3-(methylenedioxy)berbine|9,10-dimethoxy-5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline|Canadin|tetrahydroberberine|xanthopuccine http://purl.obolibrary.org/obo/CHEBI_22998 3_STAR
CHEBI:23000 biolink:ChemicalSubstance caprolactams A lactam in which the amide bond is contained within a seven-membered ring, which includes the amide nitrogen and the carbonyl carbon. phenio.json http://purl.obolibrary.org/obo/CHEBI_23000 3_STAR
CHEBI:23003 biolink:ChemicalSubstance carbamate ester Any ester of carbamic acid or its N-substituted derivatives. Wikipedia:Carbamate phenio.json carbamate esters|carbamates http://purl.obolibrary.org/obo/CHEBI_23003 3_STAR
CHEBI:23004 biolink:ChemicalSubstance carbamoyl group The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid. PMID:24168430 phenio.json -C(O)NH2|-CONH2|aminocarbonyl|carbamoyl|carbamyl|carbamyl group|carboxamide http://purl.obolibrary.org/obo/CHEBI_23004 3_STAR
CHEBI:23007 biolink:ChemicalSubstance carbohydrate-containing antibiotic Any carbohydrate derivative that exhibits antibiotic activity. phenio.json http://purl.obolibrary.org/obo/CHEBI_23007 3_STAR
CHEBI:23012 biolink:ChemicalSubstance carbon disulfide CAS:75-15-0|KEGG:C19033|PPDB:2724|UM-BBD_compID:c0561 phenio.json CS2|Carbon disulfide|carbon disulfide|carbon disulphide|disulfidocarbon http://purl.obolibrary.org/obo/CHEBI_23012 3_STAR
CHEBI:23014 biolink:ChemicalSubstance carbon oxide phenio.json carbon oxides|oxides of carbon http://purl.obolibrary.org/obo/CHEBI_23014 3_STAR
CHEBI:23016 biolink:ChemicalSubstance carbonates Organooxygen compounds that are salts or esters of carbonic acid, H2CO3. phenio.json http://purl.obolibrary.org/obo/CHEBI_23016 3_STAR
CHEBI:23018 biolink:ChemicalSubstance EC 4.2.1.1 (carbonic anhydrase) inhibitor An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of carbonic anhydrase (EC 4.2.1.1). Such compounds reduce the secretion of H(+) ions by the proximal kidney tubule. Wikipedia:Carbonic_anhydrase_inhibitor phenio.json EC 4.2.1.1 (carbonic anhydrase) inhibitors|EC 4.2.1.1 inhibitor|EC 4.2.1.1 inhibitors|anhydrase inhibitor|anhydrase inhibitors|carbonate anhydrase inhibitor|carbonate anhydrase inhibitors|carbonate dehydratase inhibitor|carbonate dehydratase inhibitors|carbonate hydro-lyase (carbon-dioxide-forming) inhibitor|carbonate hydro-lyase (carbon-dioxide-forming) inhibitors|carbonate hydro-lyase inhibitor|carbonate hydro-lyase inhibitors|carbonic acid anhydrase inhibitor|carbonic acid anhydrase inhibitors|carbonic anhydrase (EC 4.2.1.1) inhibitor|carbonic anhydrase (EC 4.2.1.1) inhibitors|carbonic anhydrase A inhibitor|carbonic anhydrase A inhibitors|carbonic anhydrase inhibitor|carbonic anhydrase inhibitors|carboxyanhydrase inhibitor|carboxyanhydrase inhibitors http://purl.obolibrary.org/obo/CHEBI_23018 3_STAR
CHEBI:23019 biolink:ChemicalSubstance carbonyl group phenio.json >C=O|carbonyl|carbonyl group http://purl.obolibrary.org/obo/CHEBI_23019 3_STAR
CHEBI:23022 biolink:ChemicalSubstance carboxy-2-hydroxymuconate semialdehyde phenio.json http://purl.obolibrary.org/obo/CHEBI_23022 1_STAR
CHEBI:23041 biolink:ChemicalSubstance carotenal phenio.json carotenals http://purl.obolibrary.org/obo/CHEBI_23041 3_STAR
CHEBI:23042 biolink:ChemicalSubstance carotene Hydrocarbon carotenoids. phenio.json carotene|carotenes http://purl.obolibrary.org/obo/CHEBI_23042 3_STAR
CHEBI:23043 biolink:ChemicalSubstance epoxycarotenoid phenio.json carotenoid epoxides|epoxycarotenoids http://purl.obolibrary.org/obo/CHEBI_23043 3_STAR
CHEBI:23044 biolink:ChemicalSubstance carotenoid One of a class of tetraterpenoids (C40), formally derived from the acyclic parent, psi,psi-carotene by hydrogenation, dehydrogenation, cyclization, oxidation, or combination of these processes. This class includes carotenes, xanthophylls and certain compounds that arise from rearrangement of the skeleton of psi,psi-carotene or by loss of part of this structure. Retinoids are excluded. CAS:36-88-4 phenio.json carotenes and carotenoids|carotenoid|carotenoids http://purl.obolibrary.org/obo/CHEBI_23044 3_STAR
CHEBI:23045 biolink:ChemicalSubstance carotenol phenio.json carotenols|hydroxycarotenoids http://purl.obolibrary.org/obo/CHEBI_23045 3_STAR
CHEBI:23046 biolink:ChemicalSubstance carveol A limonene monoterpenoid that is cyclohex-2-en-1-ol substituted by a methyl group at position 2 and a prop-1-en-2-yl group at position 5. CAS:99-48-9|PMID:23545130|PMID:24488719|Reaxys:1861032 phenio.json 2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-ol|5-Isopropenyl-2-methyl-2-cyclohexen-1-ol|p-Mentha-1,8-dien-6-ol|p-Mentha-6,8-dien-2-ol http://purl.obolibrary.org/obo/CHEBI_23046 3_STAR
CHEBI:230471 biolink:ChemicalSubstance EC 2.4.1.34 (1,3-beta-glucan synthase) inhibitor A EC 2.4.1.* (hexosyltransferase) inhibitor that inhibits the action of 1,3-beta-glucan synthase (EC 2.4.1.34). Wikipedia:1,3-Beta-glucan_synthase phenio.json (1,3)-beta-glucan (callose) synthase inhibitor|(1,3)-beta-glucan (callose) synthase inhibitors|1,3-beta-D-glucan synthase inhibitor|1,3-beta-D-glucan synthase inhibitors|1,3-beta-D-glucan synthetase inhibitor|1,3-beta-D-glucan synthetase inhibitors|1,3-beta-D-glucan--UDP glucosyltransferase inhibitor|1,3-beta-D-glucan--UDP glucosyltransferase inhibitors|1,3-beta-D-glucan-UDP glucosyltransferase inhibitor|1,3-beta-D-glucan-UDP glucosyltransferase inhibitors|1,3-beta-glucan synthase inhibitor|1,3-beta-glucan synthase inhibitors|1,3-beta-glucan-uridine diphosphoglucosyltransferase inhibitor|1,3-beta-glucan-uridine diphosphoglucosyltransferase inhibitors|EC 2.4.1.34 (1,3-beta-glucan synthase) inhibitors|EC 2.4.1.34 inhibitor|EC 2.4.1.34 inhibitors|GS-II inhibitor|GS-II inhibitors|UDP-glucose--1,3-beta-D-glucan glucosyltransferase inhibitor|UDP-glucose--1,3-beta-D-glucan glucosyltransferase inhibitors|UDP-glucose-1,3-beta-D-glucan glucosyltransferase inhibitor|UDP-glucose-1,3-beta-D-glucan glucosyltransferase inhibitors|UDP-glucose-1,3-beta-glucan glucosyltransferase inhibitor|UDP-glucose-1,3-beta-glucan glucosyltransferase inhibitors|UDP-glucose-beta-glucan glucosyltransferase inhibitor|UDP-glucose-beta-glucan glucosyltransferase inhibitors|UDP-glucose:(1,3)beta-glucan synthase inhibitor|UDP-glucose:(1,3)beta-glucan synthase inhibitors|UDP-glucose:1,3-beta-D-glucan 3-beta-D-glucosyltransferase inhibitor|UDP-glucose:1,3-beta-D-glucan 3-beta-D-glucosyltransferase inhibitors|beta-1,3-glucan synthase inhibitor|beta-1,3-glucan synthase inhibitors|beta-1,3-glucan synthetase inhibitor|beta-1,3-glucan synthetase inhibitors|callose synthase inhibitor|callose synthase inhibitors|callose synthetase inhibitor|callose synthetase inhibitors|paramylon synthetase inhibitor|paramylon synthetase inhibitors|uridine diphosphoglucose-1,3-beta-glucan glucosyltransferase inhibitor|uridine diphosphoglucose-1,3-beta-glucan glucosyltransferase inhibitors http://purl.obolibrary.org/obo/CHEBI_230471 3_STAR
CHEBI:23048 biolink:ChemicalSubstance carvones Any p-menthane monoterpenoid having the carvone skeleton as part of its structure. phenio.json http://purl.obolibrary.org/obo/CHEBI_23048 3_STAR
CHEBI:23053 biolink:ChemicalSubstance catechin Members of the class of hydroxyflavan that have a flavan-3-ol skeleton and its substituted derivatives. KEGG:C17590|LINCS:LSM-1682 phenio.json (+/-)-Catechin|catechin|catechins http://purl.obolibrary.org/obo/CHEBI_23053 3_STAR
CHEBI:23064 biolink:ChemicalSubstance cephalosporanic acid phenio.json (6R)-3-[(acetyloxy)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_23064 3_STAR
CHEBI:23066 biolink:ChemicalSubstance cephalosporin A class of beta-lactam antibiotics differing from the penicillins in having a 6-membered, rather than a 5-membered, side ring. Although cephalosporins are among the most commonly used antibiotics in the treatment of routine infections, and their use is increasing over time, they can cause a range of hypersensitivity reactions, from mild, delayed-onset cutaneous reactions to life-threatening anaphylaxis in patients with immunoglobulin E (IgE)-mediated allergy. KEGG:C00875|PMID:10069359|PMID:11936371|PMID:12833570|PMID:24269048|PMID:3320614|PMID:6762896|PMID:8426246|Wikipedia:Cephalosporin phenio.json Cephalosporin|cephalosphorin|cephalosphorins|cephalosporins http://purl.obolibrary.org/obo/CHEBI_23066 3_STAR
CHEBI:23073 biolink:ChemicalSubstance glycopentaosylceramide An oligoglycosylceramide consisting of a glycopentaosyl moiety attached to the ceramide oxygen with an unspecified N-acyl substituent attached to the ceramide nitrogen. phenio.json http://purl.obolibrary.org/obo/CHEBI_23073 3_STAR
CHEBI:23075 biolink:ChemicalSubstance glycotetraosylceramide An oligoglycosylceramide consisting of a glycotetraosyl moiety attached to the ceramide oxygen with an unspecified N-acyl substituent attached to the ceramide nitrogen. phenio.json glycotetraosylceramides http://purl.obolibrary.org/obo/CHEBI_23075 3_STAR
CHEBI:23079 biolink:ChemicalSubstance cerebroside Any member of a group of glycosphingolipids, also known as monoglycosylceramides, which are important components in animal muscle and nerve cell membranes. phenio.json cerebrosides|monoglycosylceramide|monoglycosylceramides http://purl.obolibrary.org/obo/CHEBI_23079 3_STAR
CHEBI:23084 biolink:ChemicalSubstance cetraxates phenio.json http://purl.obolibrary.org/obo/CHEBI_23084 1_STAR
CHEBI:23086 biolink:ChemicalSubstance chalcones A ketone that is 1,3-diphenylpropenone (benzylideneacetophenone), ArCH=CH(=O)Ar, and its derivatives formed by substitution. KEGG:C15589 phenio.json chalcones|chalconoid|chalconoids http://purl.obolibrary.org/obo/CHEBI_23086 3_STAR
CHEBI:23089 biolink:ChemicalSubstance chelate-forming peptide phenio.json http://purl.obolibrary.org/obo/CHEBI_23089 1_STAR
CHEBI:23092 biolink:ChemicalSubstance chemosterilant A substance intended to sterilize any organism. Wikipedia:Chemosterilant phenio.json chemosterilants http://purl.obolibrary.org/obo/CHEBI_23092 3_STAR
CHEBI:23098 biolink:ChemicalSubstance chiro-inositol phenio.json chiro-inositol|chiro-inositols http://purl.obolibrary.org/obo/CHEBI_23098 3_STAR
CHEBI:23101 biolink:ChemicalSubstance N,N'-diacetylchitobioses Any of the chitobioses acetylated on both amino nitrogens. phenio.json http://purl.obolibrary.org/obo/CHEBI_23101 3_STAR
CHEBI:23102 biolink:ChemicalSubstance chitobiosyldiphosphodolichol phenio.json http://purl.obolibrary.org/obo/CHEBI_23102 1_STAR
CHEBI:231086 biolink:ChemicalSubstance Octadec-9-enoic acid anion phenio.json http://purl.obolibrary.org/obo/CHEBI_231086 2_STAR
CHEBI:2311 biolink:ChemicalSubstance Oplophorus luciferin An imidazopyrazine that is imidazo[1,2-a]pyrazin-3(7H)-one in which positions 2, 6, and 8 are substituted by 4-hydroxybenzyl, 4-hydroxyphenyl, and benzyl groups, respectively. Beilstein:902535|CAS:55779-48-1|KEGG:C15037|MetaCyc:OPLOPHORUS-LUCIFERIN phenio.json 8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-[1,2a]pyrazin-3(7H)-one|8-benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-3(7H)-one|Coelenterazine|Oplophorus luciferin|coelenterate luciferin|coelenterazine http://purl.obolibrary.org/obo/CHEBI_2311 3_STAR
CHEBI:23114 biolink:ChemicalSubstance chloride salt phenio.json chloride salts|chlorides http://purl.obolibrary.org/obo/CHEBI_23114 3_STAR
CHEBI:23115 biolink:ChemicalSubstance chlorohydrocarbon A compound derived from a hydrocarbon by replacing at least one hydrogen atom with a chlorine atom. phenio.json chlorinated hydrocarbons|chlorohydrocarbons http://purl.obolibrary.org/obo/CHEBI_23115 3_STAR
CHEBI:23116 biolink:ChemicalSubstance chlorine atom WebElements:Cl phenio.json 17Cl|Chlor|Cl|chlore|chlorine|chlorum|cloro http://purl.obolibrary.org/obo/CHEBI_23116 3_STAR
CHEBI:23117 biolink:ChemicalSubstance chlorine molecular entity A halogen molecular entity containing one or more atoms of chlorine. phenio.json http://purl.obolibrary.org/obo/CHEBI_23117 3_STAR
CHEBI:23123 biolink:ChemicalSubstance chloroacetate A haloacetate(1-) resulting from the deprotonation of the carboxy group of chloroacetic acid. CAS:14526-03-5|MetaCyc:CHLOROACETIC-ACID|Reaxys:1903575|UM-BBD_compID:c0007 phenio.json Chloroacetic acid ion(1-)|chloroacetate|chloroacetate anion|chloroacetate(1-)|mono-chloroacetate|monochloroacetate anion|monochloroacetic acid anion http://purl.obolibrary.org/obo/CHEBI_23123 3_STAR
CHEBI:23127 biolink:ChemicalSubstance chloroalanine Any chloroamino acid in which the the amino acid specified is alanine. phenio.json chloroalanines http://purl.obolibrary.org/obo/CHEBI_23127 3_STAR
CHEBI:23128 biolink:ChemicalSubstance chloroalkane Any haloalkane that consists of an alkane substituted by at least one chloro group. phenio.json alkyl chloride|alkyl chlorides|chloroalkane|chloroalkanes http://purl.obolibrary.org/obo/CHEBI_23128 3_STAR
CHEBI:23129 biolink:ChemicalSubstance chloroamino acid A haloamino acid that is an amino acid carrying at least one halogen atom. phenio.json chloroamino acids http://purl.obolibrary.org/obo/CHEBI_23129 3_STAR
CHEBI:23130 biolink:ChemicalSubstance chloroaniline Any substituted aniline carrying at least one chloro group. phenio.json http://purl.obolibrary.org/obo/CHEBI_23130 3_STAR
CHEBI:23132 biolink:ChemicalSubstance chlorobenzenes Any organochlorine compound containing a benzene ring which is substituted by one or more chlorines. phenio.json http://purl.obolibrary.org/obo/CHEBI_23132 3_STAR
CHEBI:23133 biolink:ChemicalSubstance chlorobenzoate Any member of the class of benzoates in which the benzene ring is substituted by at least one chloro group. phenio.json chlorobenzoates http://purl.obolibrary.org/obo/CHEBI_23133 3_STAR
CHEBI:23134 biolink:ChemicalSubstance chlorobenzoic acid Any member of the class of benzoic acids in which the benzene ring is substituted by at least one chloro group. phenio.json chlorobenzoic acids http://purl.obolibrary.org/obo/CHEBI_23134 3_STAR
CHEBI:23135 biolink:ChemicalSubstance chlorobenzophenone A member of the class of benzophenones that is any substituted benzophenone in which at least one of the substituents is a chlorine. phenio.json chlorobenzophenones http://purl.obolibrary.org/obo/CHEBI_23135 3_STAR
CHEBI:23136 biolink:ChemicalSubstance chlorobenzoyl-CoA A member of the class of benzoyl-CoAs in which the acyl group specified is chlorobenzoyl. phenio.json http://purl.obolibrary.org/obo/CHEBI_23136 3_STAR
CHEBI:23138 biolink:ChemicalSubstance chlorocatechol Any member of the class of catechols that is catechol substituted by at least one chloro group. phenio.json chlorocatechols http://purl.obolibrary.org/obo/CHEBI_23138 3_STAR
CHEBI:23140 biolink:ChemicalSubstance chlorodienelactone phenio.json http://purl.obolibrary.org/obo/CHEBI_23140 1_STAR
CHEBI:23142 biolink:ChemicalSubstance chloroethenes A chloroalkene that is ethene in which one or more of the hydrogens has been replaced by chlorine. phenio.json chloroethylenes http://purl.obolibrary.org/obo/CHEBI_23142 3_STAR
CHEBI:231423 biolink:ChemicalSubstance 2-hexadecenal A hexadecenal that carries a double bond at position 2. PMID:17126823|PMID:31038222|PMID:36418741 phenio.json 2-hexadecenal|hexadec-2-enal http://purl.obolibrary.org/obo/CHEBI_231423 3_STAR
CHEBI:231424 biolink:ChemicalSubstance (S)-tolvaptan The (S)-enantiomer of tolvaptan. CAS:331947-44-5|PMID:35604424 phenio.json (-)-tolvaptan|(5S)-tolvaptan|(S)-(-)-OPC 41061|(S)-(-)-tolvaptan|(S)-OPC 41061|N-(4-{[(5S)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-methylbenzamide http://purl.obolibrary.org/obo/CHEBI_231424 3_STAR
CHEBI:231425 biolink:ChemicalSubstance N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide A member of the class of benzazepines that is 2,3,4,5-tetrahydro-1H-1-benzazepine substituted by 2-methyl-4-(2-methylbenzamido)benzoyl, hydroxy, and chloro groups at positions 1, 5, and 7, respectively. phenio.json 1-[4-(2-methylbenzoylamino)-2-methylbenzoyl]-7-chloro-1,2,3,4-tetrahydrobenzo[b]azepin-5-ol|N-[4-[(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl]-2-methylbenzamide|N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide http://purl.obolibrary.org/obo/CHEBI_231425 3_STAR
CHEBI:231426 biolink:ChemicalSubstance (R)-tolvaptan The (R)-enantiomer of tolvaptan. CAS:331947-66-1|PMID:35604424 phenio.json (+)-tolvaptan|(5R)-tolvaptan|(R)-(+)-OPC 41061|(R)-(+)-tolvaptan|(R)-OPC 41061|N-(4-{[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-methylbenzamide http://purl.obolibrary.org/obo/CHEBI_231426 3_STAR
CHEBI:231427 biolink:ChemicalSubstance (E)-2'-hydroxy-chalcones phenio.json a (E)-2'-hydroxy-chalcone http://purl.obolibrary.org/obo/CHEBI_231427 2_STAR
CHEBI:231468 biolink:ChemicalSubstance 2,3-dimethylmalate(2-) A 2-hydroxydicarboxylate(2-) resulting from the deprotonation of the two carboxy groups of 2,3-dimethylmalic acid; Major species at pH 7.3. phenio.json 2,3-dimethylmalate|2,3-dimethylmalic acid dianion|2-hydroxy-2,3-dimethylbutanedioate|2-hydroxy-2,3-dimethylsuccinate http://purl.obolibrary.org/obo/CHEBI_231468 3_STAR
CHEBI:23147 biolink:ChemicalSubstance chlorohydroquinones Any member of the class of hydroquinones that is hydroquinone carrying at least one chloro substituent at unspecified position. phenio.json http://purl.obolibrary.org/obo/CHEBI_23147 3_STAR
CHEBI:231470 biolink:ChemicalSubstance (S)-lactoyl-AMP(1-) Major microspecies at pH 7.3. phenio.json (S)-lactoyl-AMP|lactyl-AMP(1-) http://purl.obolibrary.org/obo/CHEBI_231470 2_STAR
CHEBI:23148 biolink:ChemicalSubstance chloromethanes A halomethane that is methane in which one or more hydrogens has been replaced by chlorine. phenio.json http://purl.obolibrary.org/obo/CHEBI_23148 3_STAR
CHEBI:231484 biolink:ChemicalSubstance 2''-O-(S)-lactoyl-ADP-D-ribose(2-) Major microspecies at pH 7.3. PMID:38512451 phenio.json 2''-O-(S)-lactoyl-ADP-D-ribose http://purl.obolibrary.org/obo/CHEBI_231484 2_STAR
CHEBI:23150 biolink:ChemicalSubstance chlorophenol A halophenol that is any phenol containing one or more covalently bonded chlorine atoms. Wikipedia:Chlorophenol phenio.json chlorophenols http://purl.obolibrary.org/obo/CHEBI_23150 3_STAR
CHEBI:23151 biolink:ChemicalSubstance chlorophenoxyacetate anion A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any chlorophenoxyacetic acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_23151 3_STAR
CHEBI:23152 biolink:ChemicalSubstance chlorophenoxyacetic acid A monocarboxylic acid that is phenoxyacetic acid in which at least one of the phenyl hydrogens is replaced by chlorine. phenio.json chlorophenoxyacetic acids http://purl.obolibrary.org/obo/CHEBI_23152 3_STAR
CHEBI:231527 biolink:ChemicalSubstance N(6)-[(S)-lactoyl]-L-lysine residue An N(6)-acyl-L-lysine residue that has (S)-lactoyl as the N(6)-acyl group. PMID:31645732 phenio.json N(6)-[(S)-lactoyl]-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_231527 2_STAR
CHEBI:231528 biolink:ChemicalSubstance (S)-lactoyl-CoA(4-) PMID:31645732 phenio.json (S)-lactoyl-CoA http://purl.obolibrary.org/obo/CHEBI_231528 2_STAR
CHEBI:231534 biolink:ChemicalSubstance (S)-azetidine-2-carboxylate zwitterion MetaCyc:CPD-20867|PMID:18487339 phenio.json (S)-azetidine-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_231534 2_STAR
CHEBI:23154 biolink:ChemicalSubstance chlorophenylethane Any chlorohydrocarbon that is phenylethane substituted by at least one chloro group at unspecified position. phenio.json chlorophenylethanes http://purl.obolibrary.org/obo/CHEBI_23154 3_STAR
CHEBI:231540 biolink:ChemicalSubstance nucleotide derivative A nucleoside phosphate that is derived from a nucleotide. phenio.json nucleotide derivatives http://purl.obolibrary.org/obo/CHEBI_231540 3_STAR
CHEBI:231546 biolink:ChemicalSubstance saturated fatty acyl-CoA A fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any saturated fatty acid. phenio.json saturated FA-CoA|saturated fatty acyl CoA|saturated fatty acyl-CoAs|saturated fatty acyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_231546 3_STAR
CHEBI:231547 biolink:ChemicalSubstance unsaturated fatty aldehyde Any fatty aldehyde containing at least one C=C or C#C bond. phenio.json unsaturated fatty aldehydes http://purl.obolibrary.org/obo/CHEBI_231547 3_STAR
CHEBI:23155 biolink:ChemicalSubstance chlorophenylethylene A chlorohydrocarbon that is consists of ethylene in which one or more hydrogens are replaced by chlorophenyl groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_23155 3_STAR
CHEBI:231550 biolink:ChemicalSubstance azithromycin(2+) A tertiary ammonium ion resulting from the protonation of the two amino groups of azithromycin; major species at pH 7.3. phenio.json (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azoniacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside|azithromycin dication http://purl.obolibrary.org/obo/CHEBI_231550 3_STAR
CHEBI:231551 biolink:ChemicalSubstance rifampicin(1+) phenio.json True http://purl.obolibrary.org/obo/CHEBI_231551
CHEBI:231553 biolink:ChemicalSubstance levofloxacin(1-) An oxo monocarboxylic acid anion that is the conjugate base of levofloxacin resulting from the deprotonation of the carboxy group; major species at pH 7.3. phenio.json (3S)-9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate|levofloxacin anion http://purl.obolibrary.org/obo/CHEBI_231553 3_STAR
CHEBI:23156 biolink:ChemicalSubstance chlorophenylmethane A chlorohydrocarbon that is phenylmethane substituted by a chloro group at unspecified position. phenio.json chlorophenylmethanes http://purl.obolibrary.org/obo/CHEBI_23156 3_STAR
CHEBI:231587 biolink:ChemicalSubstance cephaeline(2+) Major species at pH 7.3. MetaCyc:CPD-14816 phenio.json cephaeline http://purl.obolibrary.org/obo/CHEBI_231587 2_STAR
CHEBI:231594 biolink:ChemicalSubstance 17-ethynyl-17-hydroxy-18a-homoestr-4-en-3-one A 3-oxo-Delta(4) steroid that is gon-4-en-3-one that carries ethyl, hydroxy, and ethynyl groups at positions 13, 17 and 17, respectively. phenio.json 11a-ethyl-1-ethynyl-1-hydroxy-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one|13-ethyl-17-ethynyl-17-hydroxy-4-gonen-3-one|13-ethyl-17-ethynyl-17-hydroxygon-4-en-3-one http://purl.obolibrary.org/obo/CHEBI_231594 3_STAR
CHEBI:23162 biolink:ChemicalSubstance chloropropene Any chloroalkene that is propene substituted by at least one chloro group at unspecified position. phenio.json chloropropenes http://purl.obolibrary.org/obo/CHEBI_23162 3_STAR
CHEBI:231623 biolink:ChemicalSubstance di-trans,poly-cis-polyprenal A polyprenal in which all linkages of the isoprene units are cis, except for the two furthest from the aldehyde group which are trans. PMID:38821050 phenio.json di-trans,poly-cis-polyprenal http://purl.obolibrary.org/obo/CHEBI_231623 2_STAR
CHEBI:231637 biolink:ChemicalSubstance di-trans,poly-cis-dolichal A dolichal in which all linkages of the isoprene units are cis, except for the two furthest from the aldehyde group which are trans. PMID:38821050 phenio.json di-trans,poly-cis-dolichal http://purl.obolibrary.org/obo/CHEBI_231637 2_STAR
CHEBI:231641 biolink:ChemicalSubstance phenio.json http://purl.obolibrary.org/obo/CHEBI_231641
CHEBI:231704 biolink:ChemicalSubstance ramipril(1-) A dicarboxylic acid monoester(1-) that is the conjugate base of ramipril resulting from the deprotontion of the carboxy group; Major microspecies at pH 7.3. phenio.json (2S,3aS,6aS)-1-{N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl}octahydrocyclopenta[b]pyrrole-2-carboxylate|ramipril anion http://purl.obolibrary.org/obo/CHEBI_231704 3_STAR
CHEBI:231705 biolink:ChemicalSubstance ramiprilat(1-) A dicarboxylic acid dianion that results from the deprotonation of the two carboxy groups and protonation of the secondary amino group of ramiprilat; Major microspecies at pH 7.3 phenio.json (2S,3aS,6aS)-1-[(2S)-2-{[(1S)-1-carboxylato-3-phenylpropyl]azaniumyl}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_231705 3_STAR
CHEBI:231764 biolink:ChemicalSubstance 5,6-dihydroxyindoline-2-carboxylic acid A member of the class of indoles that is indoline substituted by hydroxy groups at positions C-5 and C-6 and by a carboxy group at position C-2. CAS:18791-20-3|PMID:29958449|PMID:34579453|PMID:38835170 phenio.json 2-carboxy-5,6-dihydroxy-2,3-dihydro-1H-indole|2-carboxy-5,6-dihydroxyindoline|5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylic acid|cyclo-DOPA http://purl.obolibrary.org/obo/CHEBI_231764 3_STAR
CHEBI:231765 biolink:ChemicalSubstance 5,6-dihydroxyindoline-2-carboxylate A hydroxy monocarboxylic acid anion that is the conjugate base of 5,6-dihydroxyindoline-2-carboxylic acid, resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3. PMID:38835170 phenio.json 2-carboxy-5,6-dihydroxyindoline anion|2-carboxy-5,6-dihydroxyindoline(1-)|5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylate|cyclo-DOPA(1-) http://purl.obolibrary.org/obo/CHEBI_231765 3_STAR
CHEBI:231766 biolink:ChemicalSubstance leucodopachrome zwitterion A zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of leucodopachrome; Major microspecies at pH 7.3. MetaCyc:CPD-8652|PMID:38835170 phenio.json (2S)-5,6-dihydroxy-2,3-dihydro-1H-indolium-2-carboxylate|(S)-5,6-dihydroxyindolinium-2-carboxylate|cyclo-dopa zwitterion|leucodopachrome http://purl.obolibrary.org/obo/CHEBI_231766 3_STAR
CHEBI:23178 biolink:ChemicalSubstance cholest-7-ene phenio.json cholest-7-ene http://purl.obolibrary.org/obo/CHEBI_23178 3_STAR
CHEBI:231790 biolink:ChemicalSubstance phenio.json http://purl.obolibrary.org/obo/CHEBI_231790
CHEBI:231792 biolink:ChemicalSubstance phenio.json http://purl.obolibrary.org/obo/CHEBI_231792
CHEBI:231807 biolink:ChemicalSubstance sphingofungin B zwitterion Major microspecies at pH 7.3. MetaCyc:CPD-26567|PMID:35023724 phenio.json sphingofungin B http://purl.obolibrary.org/obo/CHEBI_231807 2_STAR
CHEBI:231825 biolink:ChemicalSubstance phenio.json http://purl.obolibrary.org/obo/CHEBI_231825
CHEBI:231829 biolink:ChemicalSubstance 2-methoxy-5-methyl-6-all-trans-polyprenylbenzoquinone An all-trans-polyprenylbenzoquinone in which the polyprenyl substituent is at C-2 together with additional methyl and methoxy groups present at C3 and C-6 respectively. KEGG:C17561|PMID:38425362 phenio.json 2-all-trans-polyprenyl-3-methyl-6-methoxy-1,4-benzoquinone|a 2-methoxy-5-methyl-6-all-trans-polyprenyl-1,4-benzoquinone http://purl.obolibrary.org/obo/CHEBI_231829 3_STAR
CHEBI:231840 biolink:ChemicalSubstance tin cation Any tin ion that is positively charged. phenio.json tin cations http://purl.obolibrary.org/obo/CHEBI_231840 2_STAR
CHEBI:231853 biolink:ChemicalSubstance gold cation Any gold ion that is positively charged. phenio.json gold cations http://purl.obolibrary.org/obo/CHEBI_231853 2_STAR
CHEBI:231885 biolink:ChemicalSubstance N(6)-[(R)-lactoyl]-L-lysine residue An N(6)-acyl-L-lysine residue that has (R)-lactoyl as the N(6)-acyl group. PMID:35500056 phenio.json N(6)-[(R)-lactoyl]-L-lysine residue http://purl.obolibrary.org/obo/CHEBI_231885 2_STAR
CHEBI:231935 biolink:ChemicalSubstance glycerol 1-phosphate(2-) An organophosphate oxoanion that is the dianion of glycerol 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. Gmelin:602374|Reaxys:1873731 phenio.json 2,3-dihydroxypropyl phosphate|glycerol 1-phosphate|glycerol 1-phosphate dianion http://purl.obolibrary.org/obo/CHEBI_231935 3_STAR
CHEBI:23197 biolink:ChemicalSubstance cholestanoyl-CoA A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any cholestan-26-oic acid. phenio.json cholestanoyl-CoAs|cholestanoyl-coenzyme A|cholestanoyl-coenzyme As http://purl.obolibrary.org/obo/CHEBI_23197 3_STAR
CHEBI:232067 biolink:ChemicalSubstance 3-hydroxy-3-methylglutaryl-CoA(5-) An acyl-CoA oxoanion that results from the removal of all five protons from the phosphate and carboxylic acid groups of 3-hydroxy-3-methylglutaryl-CoA. PMID:38915184 phenio.json 3-hydroxy-3-methylglutaryl-CoA http://purl.obolibrary.org/obo/CHEBI_232067 2_STAR
CHEBI:232093 biolink:ChemicalSubstance phenio.json http://purl.obolibrary.org/obo/CHEBI_232093
CHEBI:23213 biolink:ChemicalSubstance choline ester phenio.json choline esters http://purl.obolibrary.org/obo/CHEBI_23213 3_STAR
CHEBI:23216 biolink:ChemicalSubstance choline sulfates phenio.json http://purl.obolibrary.org/obo/CHEBI_23216 3_STAR
CHEBI:23217 biolink:ChemicalSubstance cholines A quaternary ammonium ion based on the choline ion and its substituted derivatives thereof. phenio.json http://purl.obolibrary.org/obo/CHEBI_23217 3_STAR
CHEBI:23218 biolink:ChemicalSubstance choloyl-CoAs A steroidal acyl-CoA formed by thioester formation between coenzyme A and any cholic acid. phenio.json choloyl-CoA|choloyl-coenzyme As|cholyl-CoA|cholyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_23218 3_STAR
CHEBI:23219 biolink:ChemicalSubstance bile acid taurine conjugate A bile acid conjugate resulting from the formal condensation of a bile acid with the amino group of taurine. phenio.json bile acid taurine conjugates http://purl.obolibrary.org/obo/CHEBI_23219 3_STAR
CHEBI:23229 biolink:ChemicalSubstance chromanol Any member of the class of chromanes that is chromane substituted by one or more hydroxy groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_23229 3_STAR
CHEBI:23230 biolink:ChemicalSubstance chromanes phenio.json http://purl.obolibrary.org/obo/CHEBI_23230 3_STAR
CHEBI:23232 biolink:ChemicalSubstance chromenes phenio.json http://purl.obolibrary.org/obo/CHEBI_23232 3_STAR
CHEBI:23234 biolink:ChemicalSubstance dichromic acid CAS:13530-68-2|Gmelin:101517 phenio.json Dichromsaeure|H2Cr2O7|[(HO)Cr(O)2OCr(O)2(OH)]|chromic acid|dichromic(VI) acid|dihydrogen(heptaoxidodichromate)|mu-oxido-bis(hydroxidodioxidochromium)|mu-oxo-hexaoxodichromic acid http://purl.obolibrary.org/obo/CHEBI_23234 3_STAR
CHEBI:232361 biolink:ChemicalSubstance 3,3',5'-triiodo-D-thyronine The D-enantiomer of 3,3',5'-triiodothyronine. CAS:66701-15-3 phenio.json (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid|3,3',5'-triiodo-D-thyronine|3-iodo-O-(3,5-diiodo-4-hydroxyphenyl)-D-tyrosine|D-3,3',5'-triiodothyronine|O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-D-tyrosine http://purl.obolibrary.org/obo/CHEBI_232361 3_STAR
CHEBI:23237 biolink:ChemicalSubstance chromium molecular entity phenio.json chromium compounds|chromium molecular entities|chromium molecular entity http://purl.obolibrary.org/obo/CHEBI_23237 3_STAR
CHEBI:232372 biolink:ChemicalSubstance C-terminal N-glycylaminoethanethioate(1-) residue Major microspecies at pH 7.3. PMID:39311576 phenio.json C-terminal N-glycylaminoethanethioate residue http://purl.obolibrary.org/obo/CHEBI_232372 2_STAR
CHEBI:23238 biolink:ChemicalSubstance chromones A chromenone that consists of a 1,4-benzopyrone skeleton and its substituted derivatives thereof. phenio.json 1,4-benzopyrones http://purl.obolibrary.org/obo/CHEBI_23238 3_STAR
CHEBI:23239 biolink:ChemicalSubstance chromopeptide phenio.json http://purl.obolibrary.org/obo/CHEBI_23239 1_STAR
CHEBI:23240 biolink:ChemicalSubstance chromophore The part (atom or group of atoms) of a molecular entity in which the electronic transition responsible for a given spectral band is approximately localized. Wikipedia:Chromophore phenio.json chromophore|chromophores http://purl.obolibrary.org/obo/CHEBI_23240 3_STAR
CHEBI:23243 biolink:ChemicalSubstance cineole phenio.json cineoles http://purl.obolibrary.org/obo/CHEBI_23243 3_STAR
CHEBI:232436 biolink:ChemicalSubstance calcium chelator A chelator that is any compound containing a ligand (typically organic) which is able to form a bond to a central calcium atom at two or more points. phenio.json calcium chelating agent|calcium chelating agents|calcium chelators http://purl.obolibrary.org/obo/CHEBI_232436 3_STAR
CHEBI:23245 biolink:ChemicalSubstance cinnamaldehydes An enal based on a cinnamaldehyde skeleton and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_23245 3_STAR
CHEBI:23246 biolink:ChemicalSubstance cinnamamide The simplest member of the class of cinnamamides that consists of acrylamide bearing a phenyl substituent at the 3-position. CAS:621-79-4|Reaxys:8198107 phenio.json 3-phenyl-acrylamide|3-phenylprop-2-enamide http://purl.obolibrary.org/obo/CHEBI_23246 3_STAR
CHEBI:23247 biolink:ChemicalSubstance cinnamamides An enamide which is cinnamamide or a derivative of cinnamamide obtained by replacement of one or more of its hydrogens. phenio.json http://purl.obolibrary.org/obo/CHEBI_23247 3_STAR
CHEBI:23248 biolink:ChemicalSubstance cinnamate A member of the class of cinnamates that results from the deprotonation of the carboxy group of cinnamic acid. Beilstein:3904519|CAS:4151-45-5|Gmelin:328657 phenio.json 3-phenyl-2-propenoate|3-phenyl-2-propenoic acid, ion(1-)|3-phenylacrylate|3-phenylprop-2-enoate|cinnamate|cinnamic acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_23248 3_STAR
CHEBI:23252 biolink:ChemicalSubstance cinnamic acids Any alpha,beta-unsaturated monocarboxylic acid based on the cinnamic acid skeleton and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_23252 3_STAR
CHEBI:23286 biolink:ChemicalSubstance cis-3,4-dihydrophenanthrene-3,4-diol Beilstein:4679676|UM-BBD_compID:c0434 phenio.json cis-3,4-dihydro-3,4-dihydroxyphenanthrene|cis-3,4-dihydrophenanthrene-3,4-diol|cis-3,4-dihydroxy-3,4-dihydrophenanthrene|phenanthrene-cis-3,4-dihydrodiol|rel-(3S,4R)-3,4-dihydrophenanthrene-3,4-diol http://purl.obolibrary.org/obo/CHEBI_23286 3_STAR
CHEBI:232876 biolink:ChemicalSubstance N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose(1-) phenio.json N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose(1-) http://purl.obolibrary.org/obo/CHEBI_232876 2_STAR
CHEBI:23315 biolink:ChemicalSubstance citraconoyl group phenio.json (2Z)-2-methylbut-2-enedioyl|2-methylmaleyl|citraconoyl|citraconoyl group http://purl.obolibrary.org/obo/CHEBI_23315 3_STAR
CHEBI:2332 biolink:ChemicalSubstance 9-(5-phosphoribofuranosyl)-6-mercaptopurine CAS:53-83-8|HMDB:HMDB0060416|KEGG:C04646 phenio.json 6-Thioinosine-5'-monophosphate|9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine http://purl.obolibrary.org/obo/CHEBI_2332 2_STAR
CHEBI:23324 biolink:ChemicalSubstance citrullines phenio.json http://purl.obolibrary.org/obo/CHEBI_23324 1_STAR
CHEBI:23333 biolink:ChemicalSubstance cob(III)alamins phenio.json http://purl.obolibrary.org/obo/CHEBI_23333 3_STAR
CHEBI:23334 biolink:ChemicalSubstance cobalamins phenio.json http://purl.obolibrary.org/obo/CHEBI_23334 3_STAR
CHEBI:23336 biolink:ChemicalSubstance cobalt cation phenio.json cobalt cation|cobalt cations http://purl.obolibrary.org/obo/CHEBI_23336 3_STAR
CHEBI:23341 biolink:ChemicalSubstance cobamides phenio.json http://purl.obolibrary.org/obo/CHEBI_23341 1_STAR
CHEBI:23345 biolink:ChemicalSubstance cobyric acid Beilstein:4122664|CAS:14708-92-0 phenio.json Cby|Factor V1a|cobyric acid|cobyrinic a,b,c,d,e,g-hexaamide|cobyrinic acid-abcdeg-hexamide http://purl.obolibrary.org/obo/CHEBI_23345 3_STAR
CHEBI:23347 biolink:ChemicalSubstance coclaurine phenio.json http://purl.obolibrary.org/obo/CHEBI_23347 3_STAR
CHEBI:23354 biolink:ChemicalSubstance coenzyme A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons. phenio.json coenzyme|coenzymes http://purl.obolibrary.org/obo/CHEBI_23354 3_STAR
CHEBI:23356 biolink:ChemicalSubstance S-substituted coenzyme M phenio.json S-substituted coenzymes M http://purl.obolibrary.org/obo/CHEBI_23356 3_STAR
CHEBI:23357 biolink:ChemicalSubstance cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). Wikipedia:Cofactor_(biochemistry) phenio.json cofactor|cofactors http://purl.obolibrary.org/obo/CHEBI_23357 3_STAR
CHEBI:23359 biolink:ChemicalSubstance colchicine An alkaloid that is a carbotricyclic compound comprising 5,6,7,9-tetrahydrobenzo[a]heptalene having four methoxy substituents at the 1-, 2-, 3- and 10-positions as well as an oxo group at the 9-position and an acetamido group at the 7-position. It has been isolated from the plants belonging to genus Colchicum. CAS:54192-66-4|DrugBank:DB01394|HMDB:HMDB0015466|LINCS:LSM-6449|PMID:10680067|PMID:24074178|PMID:7200520|PMID:9819133|Reaxys:2228812 phenio.json N-(1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide http://purl.obolibrary.org/obo/CHEBI_23359 3_STAR
CHEBI:23366 biolink:ChemicalSubstance compatible osmolytes phenio.json http://purl.obolibrary.org/obo/CHEBI_23366 1_STAR
CHEBI:23367 biolink:ChemicalSubstance molecular entity Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. phenio.json entidad molecular|entidades moleculares|entite moleculaire|molecular entities|molecular entity|molekulare Entitaet http://purl.obolibrary.org/obo/CHEBI_23367 3_STAR
CHEBI:23375 biolink:ChemicalSubstance copalyl diphosphate KEGG:C06089 phenio.json 3-methyl-5-(5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl)pent-2-en-1-yl trihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_23375 3_STAR
CHEBI:23377 biolink:ChemicalSubstance copper molecular entity phenio.json copper compounds|copper molecular entities|copper molecular entity http://purl.obolibrary.org/obo/CHEBI_23377 3_STAR
CHEBI:23378 biolink:ChemicalSubstance copper cation phenio.json Cu cation|copper cation|copper cations http://purl.obolibrary.org/obo/CHEBI_23378 3_STAR
CHEBI:23389 biolink:ChemicalSubstance cobalt-corrinoid heptacarboxylic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_23389 1_STAR
CHEBI:23390 biolink:ChemicalSubstance cobalt-corrinoid hexaamide phenio.json http://purl.obolibrary.org/obo/CHEBI_23390 1_STAR
CHEBI:23392 biolink:ChemicalSubstance corrins phenio.json http://purl.obolibrary.org/obo/CHEBI_23392 1_STAR
CHEBI:23396 biolink:ChemicalSubstance cortisol ester phenio.json cortisol esters http://purl.obolibrary.org/obo/CHEBI_23396 3_STAR
CHEBI:23399 biolink:ChemicalSubstance coumarate A member of the class of cinnamates obtained by the deprotonation of the carboxy group of coumaric acid. phenio.json courmarate http://purl.obolibrary.org/obo/CHEBI_23399 3_STAR
CHEBI:2340 biolink:ChemicalSubstance docebenone A member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group. CAS:80809-81-0|KEGG:C01349|KEGG:D03882|PMID:16903934|PMID:17645780|PMID:2447953|Reaxys:4262656 phenio.json 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone|2-(12-Hydroxy-5,10-dodecadiynyl)-3,5,6-trimethyl-p-benzoquinone|2-(12-hydroxydodeca-5,10-diyn-1-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione|2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethyl-1,4-benzoquinone|6-(12-hydroxydodeca-5,10-diyn-1-yl)-2,3,5-trimethyl-1,4-benzoquinone|AA-861|AA861|Docebenone|docebenona|docebenone|docebenonum http://purl.obolibrary.org/obo/CHEBI_2340 3_STAR
CHEBI:23401 biolink:ChemicalSubstance coumaric acid A monohydroxycinnamic acid that is prop-2-enoic acid substituted by a hydroxyphenyl group at position 3. CAS:25429-38-3 phenio.json 3-(hydroxyphenyl)-2-propenoic acid|3-(hydroxyphenyl)prop-2-enoic acid|hydroxycinnamic acid http://purl.obolibrary.org/obo/CHEBI_23401 3_STAR
CHEBI:23403 biolink:ChemicalSubstance coumarins phenio.json http://purl.obolibrary.org/obo/CHEBI_23403 3_STAR
CHEBI:2341 biolink:ChemicalSubstance AACOCF3 A fatty acid derivative that is arachidonic acid in which the OH part of the carboxy group has been replaced by a trifluoromethyl group CAS:149301-79-1|KEGG:C01397|Reaxys:7593118 phenio.json (6Z,9Z,12Z,15Z)-1,1,1-trifluorohenicosa-6,9,12,15-tetraen-2-one|AACOCF3|Arachidonic acid trifluoromethyl ketone|Arachidonyl trifluoromethyl ketone|Arachidonyltrifluoromethane http://purl.obolibrary.org/obo/CHEBI_2341 3_STAR
CHEBI:23410 biolink:ChemicalSubstance cumate A member of the class of benzoates obtained by the deprotonation of the carboxy group of cumic acid. phenio.json cumate|cumates http://purl.obolibrary.org/obo/CHEBI_23410 3_STAR
CHEBI:23412 biolink:ChemicalSubstance cumic acid A member of the class of benzoic acids that is cumene substituted by at least one carboxy group. phenio.json cumic acids http://purl.obolibrary.org/obo/CHEBI_23412 3_STAR
CHEBI:23414 biolink:ChemicalSubstance copper(II) sulfate A metal sulfate compound having copper(2+) as the metal ion. CAS:7758-98-7|Gmelin:8294|KEGG:C18713|PMID:10469300|PMID:29079364|PMID:8566016|PPDB:178|Wikipedia:Copper(II)_sulfate phenio.json Copper(II) sulfate|CuSO4|Cupric sulfate|copper sulfate|copper(2+) sulfate|copper(II) sulfate|cupric sulfate anhydrous http://purl.obolibrary.org/obo/CHEBI_23414 3_STAR
CHEBI:23417 biolink:ChemicalSubstance cutins Polyester macromolecules consisting of omega-hydroxy acid monomers connected via ester linkages. KEGG:C07299|Wikipedia:Cutin phenio.json http://purl.obolibrary.org/obo/CHEBI_23417 3_STAR
CHEBI:23420 biolink:ChemicalSubstance cyanates Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N. phenio.json cyanates http://purl.obolibrary.org/obo/CHEBI_23420 3_STAR
CHEBI:23423 biolink:ChemicalSubstance pseudohalogen oxoacid phenio.json http://purl.obolibrary.org/obo/CHEBI_23423 1_STAR
CHEBI:23424 biolink:ChemicalSubstance cyanides Salts and C-organyl derivatives of hydrogen cyanide, HC#N. phenio.json cyanides http://purl.obolibrary.org/obo/CHEBI_23424 3_STAR
CHEBI:23436 biolink:ChemicalSubstance cyanogenic glycoside A glycoside in which the aglycone contains a cyanide group. A cyanogenic glycoside can release poisonous hydrogen cyanide if acted upon by some enzyme. phenio.json cyanogenic glycosides http://purl.obolibrary.org/obo/CHEBI_23436 3_STAR
CHEBI:23437 biolink:ChemicalSubstance cyanohydrin An alpha-hydroxynitrile resulting from the formal addition of hydrogen cyanide to the C=O bond of an aldehyde or ketone. KEGG:C05712 phenio.json Cyanohydrin|cyanohydrins http://purl.obolibrary.org/obo/CHEBI_23437 3_STAR
CHEBI:23438 biolink:ChemicalSubstance cyanopyridine Any pyridine carrying at least one cyano substituent. phenio.json cyanopyridines http://purl.obolibrary.org/obo/CHEBI_23438 3_STAR
CHEBI:23443 biolink:ChemicalSubstance cyclic amide phenio.json cyclic amide|cyclic amides http://purl.obolibrary.org/obo/CHEBI_23443 3_STAR
CHEBI:23445 biolink:ChemicalSubstance cyclic hydroxamic acid A lactam having a hydroxy substituent on the amide nitrogen. phenio.json N-hydroxylactam|N-hydroxylactams|cyclic hydroxamic acids http://purl.obolibrary.org/obo/CHEBI_23445 3_STAR
CHEBI:23446 biolink:ChemicalSubstance cyclic monoterpene ketone A cyclic terpene ketone in which the terpene specified is monoterpene. phenio.json cyclic monoterpene ketones http://purl.obolibrary.org/obo/CHEBI_23446 3_STAR
CHEBI:23447 biolink:ChemicalSubstance cyclic nucleotide phenio.json cyclic nucleotides http://purl.obolibrary.org/obo/CHEBI_23447 3_STAR
CHEBI:23448 biolink:ChemicalSubstance cyclic oligosaccharide phenio.json cyclic oligosaccharides http://purl.obolibrary.org/obo/CHEBI_23448 3_STAR
CHEBI:23449 biolink:ChemicalSubstance cyclic peptide phenio.json Cyclopeptid|Zyklopeptid|cyclic peptides|peptide cyclique|peptido ciclico http://purl.obolibrary.org/obo/CHEBI_23449 3_STAR
CHEBI:23450 biolink:ChemicalSubstance cyclitol phosphate phenio.json cyclitol phosphates http://purl.obolibrary.org/obo/CHEBI_23450 3_STAR
CHEBI:23451 biolink:ChemicalSubstance cyclitol A polyol consisting of a cycloalkane containing at least three hydroxy groups, each attached to a different ring carbon atom. phenio.json cyclitols http://purl.obolibrary.org/obo/CHEBI_23451 3_STAR
CHEBI:23453 biolink:ChemicalSubstance cycloalkane Saturated monocyclic hydrocarbons (with or without side chains). phenio.json Zyklan|Zykloalkan|Zykloparaffin|cyclane|cycloalkane|cycloalkanes|cycloparaffin http://purl.obolibrary.org/obo/CHEBI_23453 3_STAR
CHEBI:23456 biolink:ChemicalSubstance cyclodextrin A macrocycle composed of five or more D-glucopyranose units bonded via (1->4)-linkages. Wikipedia:Cyclodextrin phenio.json cyclodextrins http://purl.obolibrary.org/obo/CHEBI_23456 3_STAR
CHEBI:23457 biolink:ChemicalSubstance cyclodiene organochlorine insecticide A sub-category of organochlorine insecticides, the members of which are all derived from hexachlorocyclopentadiene. They possess a structure based on two 3-dimensional carbon ring units, one of which is heavily chlorinated. phenio.json cyclodiene organochlorine insecticide http://purl.obolibrary.org/obo/CHEBI_23457 3_STAR
CHEBI:23466 biolink:ChemicalSubstance cyclohexadienecarboxylate phenio.json cyclohexadienecarboxylate|cyclohexadienecarboxylates http://purl.obolibrary.org/obo/CHEBI_23466 3_STAR
CHEBI:23468 biolink:ChemicalSubstance cyclohexadienecarboxylic acid Any cyclohexadiene substituted by a carboxylic group at unspecified position. phenio.json cyclohexadienecarboxylic acid|cyclohexadienecarboxylic acids http://purl.obolibrary.org/obo/CHEBI_23468 3_STAR
CHEBI:23469 biolink:ChemicalSubstance cyclohexadienediol Any cyclohexadiene in which two hydroxy groups are located on the cyclohexadiene ring. phenio.json cyclohexadienediol|cyclohexadienediols http://purl.obolibrary.org/obo/CHEBI_23469 3_STAR
CHEBI:23478 biolink:ChemicalSubstance cyclohexanedione Cyclohexanones carrying two oxo substituents. phenio.json Cyclohexandion|Zyklohexandion|cyclohexanedione http://purl.obolibrary.org/obo/CHEBI_23478 3_STAR
CHEBI:23480 biolink:ChemicalSubstance cyclohexanols An alcohol in which one or more hydroxy groups are attached to a cyclohexane skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_23480 3_STAR
CHEBI:23482 biolink:ChemicalSubstance cyclohexanones Any alicyclic ketone based on a cyclohexane skeleton and its substituted derivatives thereof. phenio.json http://purl.obolibrary.org/obo/CHEBI_23482 3_STAR
CHEBI:23483 biolink:ChemicalSubstance cyclohexenecarboxylic acid phenio.json cyclohexenecarboxylic acids http://purl.obolibrary.org/obo/CHEBI_23483 3_STAR
CHEBI:23493 biolink:ChemicalSubstance cyclopentanes Cyclopentane and its derivatives formed by substitution. phenio.json http://purl.obolibrary.org/obo/CHEBI_23493 3_STAR
CHEBI:23495 biolink:ChemicalSubstance cyclopentanols An alcohol in which one or more hydroxy groups are attached to a cyclopentane skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_23495 3_STAR
CHEBI:23500 biolink:ChemicalSubstance cyclopropanecarboxylic acid Beilstein:969839|CAS:1759-53-1|Gmelin:2246|KEGG:C16267 phenio.json carboxycyclopropane|cyclopropanecarboxylic acid|cyclopropylcarboxylic acid http://purl.obolibrary.org/obo/CHEBI_23500 3_STAR
CHEBI:23503 biolink:ChemicalSubstance 4-amino-1,2-oxazolidin-3-one A member of the class of oxazolidines that is isoxazoldin-3-one which is substituted at position 4 by an amino group. CAS:68-39-3|KEGG:C06682 phenio.json 4-amino-1,2-oxazolidin-3-one|cycloserine http://purl.obolibrary.org/obo/CHEBI_23503 3_STAR
CHEBI:23505 biolink:ChemicalSubstance cystathionines phenio.json http://purl.obolibrary.org/obo/CHEBI_23505 1_STAR
CHEBI:23509 biolink:ChemicalSubstance cysteine derivative An amino acid derivative resulting from reaction of cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of cysteine by a heteroatom. The definition normally excludes peptides containing cysteine residues. phenio.json cysteine derivative|cysteine derivatives http://purl.obolibrary.org/obo/CHEBI_23509 3_STAR
CHEBI:23511 biolink:ChemicalSubstance cysteinyl group phenio.json 2-amino-3-sulfanylpropanoyl|cysteinyl http://purl.obolibrary.org/obo/CHEBI_23511 3_STAR
CHEBI:23521 biolink:ChemicalSubstance cytidine 5'-phosphate phenio.json cytidine 5'-phosphates http://purl.obolibrary.org/obo/CHEBI_23521 3_STAR
CHEBI:23523 biolink:ChemicalSubstance cytidine phosphate phenio.json cytidine phosphates http://purl.obolibrary.org/obo/CHEBI_23523 3_STAR
CHEBI:23524 biolink:ChemicalSubstance cytidines phenio.json http://purl.obolibrary.org/obo/CHEBI_23524 3_STAR
CHEBI:23527 biolink:ChemicalSubstance cytochalasin B An organic heterotricyclic compound, that is a mycotoxin which is cell permeable an an inhibitor of cytoplasmic division by blocking the formation of contractile microfilaments. AGR:IND605251338|AGR:IND605574141|CAS:14930-96-2|KEGG:C19954|KNApSAcK:C00011322|LIPID_MAPS_instance:LMPK11000002|MetaCyc:CPD-20745|PMID:10716458|PMID:15869745|PMID:22882828|PMID:27581081|PMID:29050297|PMID:33070838|PMID:33996522|PMID:7327176|PMID:7378656|PMID:9568120|Reaxys:1096210|Wikipedia:Cytochalasin_B phenio.json (3E,5R,9R,11E,12aS,13S,15S,15aS,16S,18aS)-16-benzyl-5,13-dihydroxy-9,15-dimethyl-14-methylidene-6,7,8,9,10,12a,13,14,15,15a,16,17-dodecahydro-2H-oxacyclotetradecino[2,3-d]isoindole-2,18(5H)-dione|Phomin|cytochalasin B http://purl.obolibrary.org/obo/CHEBI_23527 3_STAR
CHEBI:23528 biolink:ChemicalSubstance cytochalasin Wikipedia:Cytochalasin phenio.json cytochalasins http://purl.obolibrary.org/obo/CHEBI_23528 3_STAR
CHEBI:23530 biolink:ChemicalSubstance cytokinin A phytohormone that promote cell division, or cytokinesis, in plant roots and shoots. Wikipedia:Cytokinin phenio.json http://purl.obolibrary.org/obo/CHEBI_23530 3_STAR
CHEBI:23557 biolink:ChemicalSubstance dTDP-sugar phenio.json dTDP-sugar|dTDP-sugars http://purl.obolibrary.org/obo/CHEBI_23557 3_STAR
CHEBI:23582 biolink:ChemicalSubstance defoliant A herbicide which when sprayed or dusted on plants causes its leaves to fall off. phenio.json Defoliationsmittel|Entlaubungsmittel|defoliants http://purl.obolibrary.org/obo/CHEBI_23582 3_STAR
CHEBI:23591 biolink:ChemicalSubstance dehydroamino acid An amino acid derivative that is an amino acid whose side-chain has undergone formal dehydrogenation. Wikipedia:Dehydroamino_acid phenio.json dehydroamino acid|dehydroamino acids http://purl.obolibrary.org/obo/CHEBI_23591 3_STAR
CHEBI:23612 biolink:ChemicalSubstance deoxyadenosine phosphate phenio.json deoxyadenosine phosphates http://purl.obolibrary.org/obo/CHEBI_23612 3_STAR
CHEBI:23614 biolink:ChemicalSubstance deoxycholate Beilstein:3629953|Gmelin:1774558 phenio.json 3alpha,12alpha-dihydroxy-5beta-cholan-24-oate|3alpha,12alpha-dihydroxy-5beta-cholanate|Desoxycholat|deoxycholate http://purl.obolibrary.org/obo/CHEBI_23614 3_STAR
CHEBI:23618 biolink:ChemicalSubstance deoxycortisol A 3,20-dioxo steroid having the structure of cortisol but lacking one or more of its hydroxy groups. phenio.json deoxycortisols http://purl.obolibrary.org/obo/CHEBI_23618 3_STAR
CHEBI:23621 biolink:ChemicalSubstance deoxycytidine phosphate phenio.json deoxycytidine phosphates http://purl.obolibrary.org/obo/CHEBI_23621 3_STAR
CHEBI:23622 biolink:ChemicalSubstance deoxygalactose phenio.json deoxygalactose|deoxygalactoses http://purl.obolibrary.org/obo/CHEBI_23622 3_STAR
CHEBI:23623 biolink:ChemicalSubstance deoxyglucose A deoxyhexose comprising glucose having at least one hydroxy group replaced by hydrogen. phenio.json deoxyglucose|deoxyglucoses http://purl.obolibrary.org/obo/CHEBI_23623 3_STAR
CHEBI:23625 biolink:ChemicalSubstance deoxyguanosine phosphate phenio.json deoxyguanosine phosphates http://purl.obolibrary.org/obo/CHEBI_23625 3_STAR
CHEBI:23627 biolink:ChemicalSubstance deoxyaldohexose phosphate phenio.json deoxyaldohexose phosphate|deoxyaldohexose phosphates http://purl.obolibrary.org/obo/CHEBI_23627 3_STAR
CHEBI:23628 biolink:ChemicalSubstance deoxyhexose Any C6 deoxy sugar having at least one hydroxy group replaced by hydrogen. phenio.json deoxyhexose|deoxyhexoses http://purl.obolibrary.org/obo/CHEBI_23628 3_STAR
CHEBI:23630 biolink:ChemicalSubstance deoxyinosine phosphate phenio.json deoxyinosine phosphates http://purl.obolibrary.org/obo/CHEBI_23630 3_STAR
CHEBI:23634 biolink:ChemicalSubstance deoxyaldopentose phosphate phenio.json deoxyaldopentose phosphates|deoxypentose phosphate http://purl.obolibrary.org/obo/CHEBI_23634 3_STAR
CHEBI:23635 biolink:ChemicalSubstance deoxypentose phenio.json deoxypentose|deoxypentoses http://purl.obolibrary.org/obo/CHEBI_23635 3_STAR
CHEBI:23636 biolink:ChemicalSubstance deoxyribonucleoside phenio.json deoxyribonucleosides http://purl.obolibrary.org/obo/CHEBI_23636 3_STAR
CHEBI:23638 biolink:ChemicalSubstance deoxyribulose phosphate phenio.json deoxyribulose phosphate|deoxyribulose phosphates http://purl.obolibrary.org/obo/CHEBI_23638 3_STAR
CHEBI:23639 biolink:ChemicalSubstance deoxy sugar Any sugar having a hydroxy group replaced with a hydrogen atom. phenio.json deoxy sugars|deoxysugar|deoxysugars http://purl.obolibrary.org/obo/CHEBI_23639 3_STAR
CHEBI:23641 biolink:ChemicalSubstance deoxyuridine phosphate phenio.json deoxyuridine phosphates http://purl.obolibrary.org/obo/CHEBI_23641 3_STAR
CHEBI:23643 biolink:ChemicalSubstance depsipeptide A natural or synthetic compound having a sequence of amino and hydroxy carboxylic acid residues (usually alpha-amino and alpha-hydroxy acids), commonly but not necessarily regularly alternating. phenio.json Depsipeptid|depsipeptides http://purl.obolibrary.org/obo/CHEBI_23643 3_STAR
CHEBI:2365 biolink:ChemicalSubstance (+)-abscisic acid The naturally occurring (1'S)-(+) enantiomer of abscisic acid. It is an important sesquiterpenoid plant hormone which acts as a regulator of plant responses to environmental stresses such as drought and cold. BPDB:2486|Beilstein:4190247|CAS:21293-29-8|HMDB:HMDB0035140|KEGG:C06082|KNApSAcK:C00000134|LIPID_MAPS_instance:LMPR0103050001|PMID:10915053|PMID:12114582|PMID:16169217|PMID:17582774|PMID:17741533|PMID:19898420|PMID:19956245|Reaxys:2130328|Wikipedia:Abscisic_acid phenio.json (+)-(S)-ABA|(+)-Abscisic acid|(+)-S-ABA|(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid|(7E,9Z)-(6S)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid|(S)-(+)-abscisic acid|2-cis,4-trans-abscisic acid|ABA|Abscisic acid|abscisin II http://purl.obolibrary.org/obo/CHEBI_2365 3_STAR
CHEBI:2366 biolink:ChemicalSubstance absinthin A dimeric sesquiterpene lactone that is produced by the plant Artemisia absinthium (Wormwood). The bitter tasting constituent of Absinthe. AGR:IND43864075|CAS:1362-42-1|HMDB:HMDB0035742|KEGG:C09286|KNApSAcK:C00000172|PMID:15631427|PMID:25037681|Patent:CN101658656|Patent:SE530687|Reaxys:4730201|Wikipedia:Absinthin phenio.json (+)-absinthin|(1R,2R,5S,8S,9S,12S,13R,14S,15S,16R,17S,20S,21S,24S)-12,17-dihydroxy-3,8,12,17,21,25-hexamethyl-6,23-dioxaheptacyclo[13.9.2.0(1,16).0(2,14).0(4,13).0(5,9).0(20,24)]hexacosa-3,25-diene-7,22-dione|Absinthin|Absynthin http://purl.obolibrary.org/obo/CHEBI_2366 3_STAR
CHEBI:23665 biolink:ChemicalSubstance dialkylarylamine phenio.json http://purl.obolibrary.org/obo/CHEBI_23665 1_STAR
CHEBI:23666 biolink:ChemicalSubstance diamine Any polyamine that contains two amino groups. phenio.json diamines http://purl.obolibrary.org/obo/CHEBI_23666 3_STAR
CHEBI:23671 biolink:ChemicalSubstance 2,6-diaminopimelate(2-) A dicarboxylic acid dianion that is the conjugate base of 2,6-diaminopimelic acid. phenio.json 2,6-diaminoheptanedioate|diaminoheptanedioate|diaminopimelate http://purl.obolibrary.org/obo/CHEBI_23671 3_STAR
CHEBI:23673 biolink:ChemicalSubstance 2,6-diaminopimelic acid The amino dicarboxylic acid that is heptanedioic acid with amino substituents at C-2 and C-6. CAS:583-93-7|DrugBank:DB03590|PMID:10930630|PMID:13984704|PMID:23913026|Reaxys:1787719 phenio.json 2,6-diaminoheptanedioic acid|Diaminopimelic acid|Dpm|alpha,epsilon-diaminopimelic acid http://purl.obolibrary.org/obo/CHEBI_23673 3_STAR
CHEBI:23677 biolink:ChemicalSubstance diazole An azole that is either one of a pair of heterocyclic organic compounds comprising three carbon atoms and two nitrogen atoms arranged in a ring. phenio.json diazoles http://purl.obolibrary.org/obo/CHEBI_23677 3_STAR
CHEBI:23681 biolink:ChemicalSubstance dibenzothiophene A mancude organic heterotricyclic parent that consists of a thiophene ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. CAS:132-65-0|Gmelin:83631|KEGG:D03777|PMID:15092946|PMID:16232582|PMID:16268154|PMID:16391083|PMID:17616875|PMID:21750993|Reaxys:121101|UM-BBD_compID:c0118|Wikipedia:Dibenzothiophene phenio.json 9-thiafluorene|[1,1'-biphenyl]-2,2'-diyl sulfide|alpha-thiafluorene|dibenzo[b,d]thiophene|dibenzothiophene|diphenylene sulfide http://purl.obolibrary.org/obo/CHEBI_23681 3_STAR
CHEBI:23683 biolink:ChemicalSubstance dibenzothiophene 5-oxide A member of the class of dibenzothiophenes that is the 5-oxo derivative of dibenzothiophene. CAS:1013-23-6|Reaxys:126504 phenio.json DBTO|dibenzo[b,d]thiophene 5-oxide|dibenzothiophene 5-oxide http://purl.obolibrary.org/obo/CHEBI_23683 3_STAR
CHEBI:23684 biolink:ChemicalSubstance dibenzothiophenes phenio.json http://purl.obolibrary.org/obo/CHEBI_23684 3_STAR
CHEBI:23690 biolink:ChemicalSubstance dicarboxylic acid amide phenio.json dicarboxylic acid amides http://purl.obolibrary.org/obo/CHEBI_23690 3_STAR
CHEBI:23696 biolink:ChemicalSubstance dichloroaniline CAS:27134-27-6|Wikipedia:Dichloroaniline phenio.json Dichloranilin|dichloroaniline|dichloroanilines http://purl.obolibrary.org/obo/CHEBI_23696 3_STAR
CHEBI:23697 biolink:ChemicalSubstance dichlorobenzene Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions. phenio.json Dichlorbenzol|dichlorobenzene|dichlorobenzenes http://purl.obolibrary.org/obo/CHEBI_23697 3_STAR
CHEBI:23698 biolink:ChemicalSubstance dichlorobenzoyl-CoA Any chlorobenzoyl-CoA having dichlorobenzoyl as the aroyl substituent. phenio.json dichlorobenzoyl-CoAs http://purl.obolibrary.org/obo/CHEBI_23698 3_STAR
CHEBI:23699 biolink:ChemicalSubstance dichlorocatechol A chlorocatechol carrying two chloro groups at unspecified positions. phenio.json http://purl.obolibrary.org/obo/CHEBI_23699 3_STAR
CHEBI:23700 biolink:ChemicalSubstance dichlorohydroquinone A member of the class of chlorohydroquinones carrying two chloro substituents at unspecified positions. phenio.json http://purl.obolibrary.org/obo/CHEBI_23700 3_STAR
CHEBI:23702 biolink:ChemicalSubstance dichlorophenol Any chlorophenol carrying chloro substituents. Wikipedia:Dichlorophenol phenio.json http://purl.obolibrary.org/obo/CHEBI_23702 3_STAR
CHEBI:23703 biolink:ChemicalSubstance dideoxyhexose phenio.json dideoxyhexose|dideoxyhexoses http://purl.obolibrary.org/obo/CHEBI_23703 3_STAR
CHEBI:23711 biolink:ChemicalSubstance diethyl 2-methyl-3-hydroxysuccinate phenio.json http://purl.obolibrary.org/obo/CHEBI_23711 1_STAR
CHEBI:23730 biolink:ChemicalSubstance 5-oxo-2-furylacetic acid An oxo monocarboxylic acid that is 2,5-dihydrofuran-2-ylacetic acid substituted by an oxo group at position 5. phenio.json 5-oxo-2-furylacetic acids http://purl.obolibrary.org/obo/CHEBI_23730 3_STAR
CHEBI:23736 biolink:ChemicalSubstance 4,5-dihydrocortisone A 3-oxo steroid that is cortisone in which the double bond between positions 4 and 5 has been reduced to a single bond. Reaxys:4206949 phenio.json dihydrocortisone http://purl.obolibrary.org/obo/CHEBI_23736 3_STAR
CHEBI:23738 biolink:ChemicalSubstance dihydrophenanthrenediol phenio.json dihydrophenanthrenediols http://purl.obolibrary.org/obo/CHEBI_23738 3_STAR
CHEBI:23743 biolink:ChemicalSubstance dihydrofolic acids A group of heterocyclic compounds based on the 7,8-dihydropteroic acid skeleton conjugated with one or more L-glutamic acid units. phenio.json dihydrofolate|dihydrofolates|dihydrofolic acid http://purl.obolibrary.org/obo/CHEBI_23743 3_STAR
CHEBI:23745 biolink:ChemicalSubstance 3,4-dihydroisocoumarin The simplest member of the class of dihydroisocoumarins that is the 3,4-dihydro derivative of isocoumarin. CAS:4702-34-5|Reaxys:124656 phenio.json 1-oxo-isochroman|3,4-dihydro-1H-2-benzopyran-1-one|3,4-dihydro-1H-isochromen-1-one|dihydroisocoumarin http://purl.obolibrary.org/obo/CHEBI_23745 3_STAR
CHEBI:2376 biolink:ChemicalSubstance acarbose A tetrasaccharide derivative consisting of a dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl C7 cyclitol moiety [called valienol (or valienamine)] linked via nitrogen to isomaltotriose. CAS:56180-94-0|Chemspider:38116|DrugBank:DB00284|Drug_Central:39|HMDB:HMDB0014429|KEGG:C06802|KEGG:D00216|KNApSAcK:C00016021|LINCS:LSM-4345|PMID:11937512|PMID:18248270|PMID:24245565|PMID:25044702|PMID:8893066|PMID:9805641|Patent:DE2347782|Patent:US4062950|Wikipedia:Acarbose phenio.json 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucopyranose|Glucobay|Precose|acarbosa|acarbose|acarbosum http://purl.obolibrary.org/obo/CHEBI_2376 3_STAR
CHEBI:23763 biolink:ChemicalSubstance pyrroline Any organic heteromonocyclic compound with a structure based on a dihydropyrrole. Wikipedia:Pyrroline phenio.json dihydropyrrole|pyrroline|pyrrolines http://purl.obolibrary.org/obo/CHEBI_23763 3_STAR
CHEBI:23765 biolink:ChemicalSubstance quinolone phenio.json quinolones http://purl.obolibrary.org/obo/CHEBI_23765 3_STAR
CHEBI:23775 biolink:ChemicalSubstance dihydroxy-5beta-cholanic acid A hydroxy-5beta-cholanic acid carrying two hydroxy groups at unspecified positions. phenio.json dihydroxy-5beta-cholanic acids http://purl.obolibrary.org/obo/CHEBI_23775 3_STAR
CHEBI:23776 biolink:ChemicalSubstance dihydroxyacetophenone A hydroxyacetophenone carrying two hydroxy substituents. phenio.json dihydroxyacetophenones http://purl.obolibrary.org/obo/CHEBI_23776 3_STAR
CHEBI:23778 biolink:ChemicalSubstance dihydroxybenzoic acid Any member of the class of hydroxybenzoic acids carrying two phenolic hydroxy groups on the benzene ring and its derivatives. phenio.json dihydroxybenzoic acids http://purl.obolibrary.org/obo/CHEBI_23778 3_STAR
CHEBI:23781 biolink:ChemicalSubstance dihydroxyindole Any member of the class of hydroxyindoles carrying two hydroxy groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_23781 3_STAR
CHEBI:23783 biolink:ChemicalSubstance naphthalenediols Any hydroxynaphthalene derivative that has two hydroxy substituents. phenio.json dihydroxynaphthalenes http://purl.obolibrary.org/obo/CHEBI_23783 3_STAR
CHEBI:2379 biolink:ChemicalSubstance acebutolol An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol. Beilstein:2162244|CAS:37517-30-9|DrugBank:DB01193|Drug_Central:40|Gmelin:2179873|KEGG:C06803|KEGG:D02338|LINCS:LSM-4384|PMID:1378852|Patent:US3857952|Patent:ZA6808345|Wikipedia:Acebutolol phenio.json (+-)-acebutolol|3'-acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide|5'-butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone|Acebutolol|N-(3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl)butanamide|N-[3-acetyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]phenyl]butanamide|N-{3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}butanamide|acebutolol|acebutololum|acetobutolol http://purl.obolibrary.org/obo/CHEBI_2379 3_STAR
CHEBI:23792 biolink:ChemicalSubstance dihydroxypteridine phenio.json dihydroxypteridines http://purl.obolibrary.org/obo/CHEBI_23792 3_STAR
CHEBI:23793 biolink:ChemicalSubstance dihydroxypyridine phenio.json dihydroxypyridines http://purl.obolibrary.org/obo/CHEBI_23793 3_STAR
CHEBI:237958 biolink:ChemicalSubstance ({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate phenio.json http://purl.obolibrary.org/obo/CHEBI_237958 2_STAR
CHEBI:23796 biolink:ChemicalSubstance diiodotyrosine A dihalogenated L-tyrosine which has two iodo-substituents on the benzyl moiety. phenio.json http://purl.obolibrary.org/obo/CHEBI_23796 3_STAR
CHEBI:23798 biolink:ChemicalSubstance dimethoxyflavone Any methoxyflavone with two methoxy substituents. phenio.json dimethoxyflavones http://purl.obolibrary.org/obo/CHEBI_23798 3_STAR
CHEBI:23806 biolink:ChemicalSubstance dimethylaniline A methylaniline carrying at least two methyl groups. phenio.json dimethylanilines http://purl.obolibrary.org/obo/CHEBI_23806 3_STAR
CHEBI:23809 biolink:ChemicalSubstance dimethylbenzimidazole phenio.json dimethylbenzimidazoles http://purl.obolibrary.org/obo/CHEBI_23809 3_STAR
CHEBI:23812 biolink:ChemicalSubstance dimethylmaleic acid A dicarboxylic acid that is maleic acid in which each of the hydrogens that is attached to a carbon atom is substituted by a methyl group. CAS:488-21-1|KEGG:C00922|MetaCyc:DIMETHYLMAL-CPD|PMID:5266166|Reaxys:1723592 phenio.json (2Z)-2,3-dimethylbut-2-enedioic acid|2,3-dimethylmaleic acid|Dimethylmaleic acid|alpha,beta-Dimethylmaleic acid http://purl.obolibrary.org/obo/CHEBI_23812 3_STAR
CHEBI:23816 biolink:ChemicalSubstance dimethylsilanediol Beilstein:1731569|CAS:1066-42-8|Gmelin:404726|UM-BBD_compID:c0356 phenio.json (CH3)2Si(OH)2|Si(OH)2Me2|dimethylsilanediol http://purl.obolibrary.org/obo/CHEBI_23816 3_STAR
CHEBI:23818 biolink:ChemicalSubstance dimethylxanthine phenio.json dimethylxanthines http://purl.obolibrary.org/obo/CHEBI_23818 3_STAR
CHEBI:23821 biolink:ChemicalSubstance dinitroglycerol A nitroglycerol carrying two nitro groups at unspecified positions. phenio.json dinitroglycerols http://purl.obolibrary.org/obo/CHEBI_23821 3_STAR
CHEBI:23824 biolink:ChemicalSubstance diol A compound that contains two hydroxy groups, generally assumed to be, but not necessarily, alcoholic. Aliphatic diols are also called glycols. Wikipedia:Diol phenio.json diols http://purl.obolibrary.org/obo/CHEBI_23824 3_STAR
CHEBI:23825 biolink:ChemicalSubstance dibenzodioxine Oxanthrene (formerly dibenzo[b,e][1,4]dioxine) and its derivatives. phenio.json dibenzodioxines|dibenzodioxins|dioxins|oxanthrenes http://purl.obolibrary.org/obo/CHEBI_23825 3_STAR
CHEBI:23843 biolink:ChemicalSubstance disaccharide phosphate phenio.json disaccharide phosphates http://purl.obolibrary.org/obo/CHEBI_23843 3_STAR
CHEBI:23847 biolink:ChemicalSubstance diterpene alkaloid phenio.json diterpene alkaloids http://purl.obolibrary.org/obo/CHEBI_23847 3_STAR
CHEBI:23849 biolink:ChemicalSubstance diterpenoid Any terpenoid derived from a diterpene. The term includes compounds in which the C20 skeleton of the parent diterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0104 phenio.json C20 isoprenoids|diterpenoides|diterpenoids http://purl.obolibrary.org/obo/CHEBI_23849 3_STAR
CHEBI:23853 biolink:ChemicalSubstance dithiol phenio.json dithiols http://purl.obolibrary.org/obo/CHEBI_23853 3_STAR
CHEBI:23855 biolink:ChemicalSubstance divalent carboacyl group A divalent carboacyl group is a group formed by loss of OH from two carboxy groups of a polycarboxylic acid. phenio.json divalent acyl group|divalent carboacyl groups|divalent carboxylic acyl groups http://purl.obolibrary.org/obo/CHEBI_23855 3_STAR
CHEBI:23858 biolink:ChemicalSubstance behenate A straight-chain saturated fatty acid anion that is the conjugate base of behenic acid, arising from deprotonation of the carboxylic acid group. Gmelin:351197|KEGG:C08281 phenio.json CH3-[CH2]20-COO(-)|Docosanoate|behenate|docosanoate http://purl.obolibrary.org/obo/CHEBI_23858 3_STAR
CHEBI:23866 biolink:ChemicalSubstance dodecanol A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of twelve carbon atoms. CAS:27342-88-7 phenio.json dodecanols|hydroxydodecane|hydroxydodecanes http://purl.obolibrary.org/obo/CHEBI_23866 3_STAR
CHEBI:23867 biolink:ChemicalSubstance dodecenoic acid A C12, straight-chain fatty acid carrying a double bond at any position. CAS:1289-45-8|PMID:18565910|PMID:4955727 phenio.json 12:1|C12:1|Dodecensaeure|dodecenoic acid|lauroleic acid http://purl.obolibrary.org/obo/CHEBI_23867 3_STAR
CHEBI:23869 biolink:ChemicalSubstance dodecenoyl-CoA A monounsaturated fatty acyl-CoA in which the S-acyl moiety contains 12 carbons and 1 double bond. phenio.json http://purl.obolibrary.org/obo/CHEBI_23869 3_STAR
CHEBI:238698 biolink:ChemicalSubstance bevantolol A propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by 3-methylphenyl and one of the hydrogens attached to the nitrogen is substituted by 2-(3,4-dimethoxyphenyl)ethyl. A beta1 adrenoceptor antagonist, it has been shown to be as effective as other beta-blockers for the treatment of angina pectoris and hypertension. CAS:59170-23-9|DrugBank:DB01295|Drug_Central:360|PMID:2871781|PMID:2894292|Patent:BE790165|Patent:US3857891|Patent:US4994618|Reaxys:2769444 phenio.json (+-)-bevantolol|1-((2-(3,4-dimethoxyphenyl)ethyl)amino)-3-(3-methylphenoxy)-2-propanol|1-(3,4-dimethoxyphenethylamino)-3-(m-tolyloxy)-2-propanol|1-(3,4-dimethoxyphenethylamino)-3-m-tolyloxy-propan-2-ol|1-[2-(3,4-Dimethoxy-phenyl)-ethylamino]-3-m-tolyloxy-propan-2-ol|1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3-(3-methylphenoxy)propan-2-ol|bevantolol|bevantololum http://purl.obolibrary.org/obo/CHEBI_238698 3_STAR
CHEBI:23870 biolink:ChemicalSubstance dodecyl group phenio.json CH3-[CH2]11-|Dod|dodecan-1-yl|dodecyl|lauryl http://purl.obolibrary.org/obo/CHEBI_23870 3_STAR
CHEBI:23872 biolink:ChemicalSubstance dodecyl sulfate Beilstein:1820003|DrugBank:DB03967|Gmelin:336103|UM-BBD_compID:c0563 phenio.json dodecyl sulfate http://purl.obolibrary.org/obo/CHEBI_23872 3_STAR
CHEBI:23875 biolink:ChemicalSubstance dolichol phosphate An isoprenoid phosphate in which the isoprenoid specified is dolichol. phenio.json dolichol phosphates http://purl.obolibrary.org/obo/CHEBI_23875 3_STAR
CHEBI:23888 biolink:ChemicalSubstance drug Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances. phenio.json drugs|medicine http://purl.obolibrary.org/obo/CHEBI_23888 3_STAR
CHEBI:23893 biolink:ChemicalSubstance ecdysone phosphate phenio.json ecdysone phosphates http://purl.obolibrary.org/obo/CHEBI_23893 3_STAR
CHEBI:23895 biolink:ChemicalSubstance ecdysteroid ester phenio.json ecdysteroid esters http://purl.obolibrary.org/obo/CHEBI_23895 3_STAR
CHEBI:23897 biolink:ChemicalSubstance ecdysteroid A class of steroids that include insect moulting and sex hormones. Wikipedia:Ecdysteroid phenio.json ecdysteroid hormones|ecdysteroids http://purl.obolibrary.org/obo/CHEBI_23897 3_STAR
CHEBI:23899 biolink:ChemicalSubstance icosanoid Any member of the group of signalling molecules arising from oxidation of the three C20 essential fatty acids (EFAs) icosapentaenoic acid (EPA), arachidonic acid (AA) and dihomo-gamma-linolenic acid (DGLA). LIPID_MAPS_class:LMFA03|PMID:12697726|PMID:16107763|PMID:19160658|PMID:2657063|Wikipedia:Eicosanoid phenio.json eicosanoid|eicosanoids|icosanoid|icosanoids http://purl.obolibrary.org/obo/CHEBI_23899 3_STAR
CHEBI:23902 biolink:ChemicalSubstance icosenoic acid An icosanoid comprising icosanoic acid having one C=C bond at any position. PMID:10478934|PMID:6035971 phenio.json 20:1|C20:1|eicosenoic acids|iconsenoic acid|icosenoic acids http://purl.obolibrary.org/obo/CHEBI_23902 3_STAR
CHEBI:23905 biolink:ChemicalSubstance monoatomic anion phenio.json monoatomic anions http://purl.obolibrary.org/obo/CHEBI_23905 3_STAR
CHEBI:23906 biolink:ChemicalSubstance monoatomic cation phenio.json monoatomic cations http://purl.obolibrary.org/obo/CHEBI_23906 3_STAR
CHEBI:23909 biolink:ChemicalSubstance ellagitannin A form of hydrolysable tannin produced from ellagic acid. Ellagitannins are glucosides which are readily hydrolysed by water to regenerate ellagic acid when the plants are eaten. Wikipedia:Ellagitannin phenio.json ellagitannins http://purl.obolibrary.org/obo/CHEBI_23909 3_STAR
CHEBI:23924 biolink:ChemicalSubstance enzyme inhibitor A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. phenio.json enzyme inhibitor|enzyme inhibitors|inhibidor enzimatico|inhibidores enzimaticos|inhibiteur enzymatique|inhibiteurs enzymatiques http://purl.obolibrary.org/obo/CHEBI_23924 3_STAR
CHEBI:23925 biolink:ChemicalSubstance (+)-5-epi-aristolochene A sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene substituted by methyl groups at positions 4 and 4a and a prop-1-en-2-yl group at position 6 (the 4R,4aR,6R-stereoisomer). Beilstein:3588800|PMID:25286411|Reaxys:6500129 phenio.json (+)-5-epi-aristolochene|(4R,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene|4betaH-eremophila-9,11-diene|epi-aristolochene http://purl.obolibrary.org/obo/CHEBI_23925 3_STAR
CHEBI:23929 biolink:ChemicalSubstance episterol Beilstein:2421473|CAS:474-68-0|LIPID_MAPS_instance:LMST01030115 phenio.json (3beta,5alpha)-ergosta-7,24(28)-dien-3-ol|5alpha-ergosta-7,24(28)-dien-3beta-ol|episterol|ergosta-7,24(28)-dien-3-ol http://purl.obolibrary.org/obo/CHEBI_23929 3_STAR
CHEBI:23931 biolink:ChemicalSubstance epoxy monocarboxylic acid Monocarboxylic acids containing at least one epoxy group. phenio.json epoxy monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_23931 3_STAR
CHEBI:23943 biolink:ChemicalSubstance ergot alkaloid phenio.json ergot alkaloids http://purl.obolibrary.org/obo/CHEBI_23943 3_STAR
CHEBI:23953 biolink:ChemicalSubstance erythromycins phenio.json http://purl.obolibrary.org/obo/CHEBI_23953 1_STAR
CHEBI:23955 biolink:ChemicalSubstance erythronolide phenio.json http://purl.obolibrary.org/obo/CHEBI_23955 1_STAR
CHEBI:23956 biolink:ChemicalSubstance erythrose phosphate phenio.json erythrose phosphate|erythrose phosphates http://purl.obolibrary.org/obo/CHEBI_23956 3_STAR
CHEBI:23957 biolink:ChemicalSubstance erythroses phenio.json http://purl.obolibrary.org/obo/CHEBI_23957 3_STAR
CHEBI:23958 biolink:ChemicalSubstance erythrulose Beilstein:1721315|Beilstein:1749221|CAS:496-55-9|CAS:533-50-6|KEGG:C02022|KEGG:C02045 phenio.json 1,3,4-trihydroxybutan-2-one|D-glycero-Tetrulose|L-glycero-Tetrulose|erythrulose|glycero-tetrulose http://purl.obolibrary.org/obo/CHEBI_23958 3_STAR
CHEBI:23965 biolink:ChemicalSubstance estradiol A 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17. PMID:10696569|PMID:24084694|Wikipedia:Estradiol phenio.json estra-1,3,5(10)-triene-3,17-diol|oestradiol http://purl.obolibrary.org/obo/CHEBI_23965 3_STAR
CHEBI:23966 biolink:ChemicalSubstance estrane Beilstein:3125721|LIPID_MAPS_instance:LMST02010000 phenio.json Oestran|estrane|oestrane http://purl.obolibrary.org/obo/CHEBI_23966 3_STAR
CHEBI:23976 biolink:ChemicalSubstance ethanediol Any diol that is ethane or substituted ethane carrying two hydroxy groups. phenio.json ethanediols http://purl.obolibrary.org/obo/CHEBI_23976 3_STAR
CHEBI:23981 biolink:ChemicalSubstance ethanolamines phenio.json ethanolamine http://purl.obolibrary.org/obo/CHEBI_23981 3_STAR
CHEBI:23982 biolink:ChemicalSubstance ethanols Any primary alcohol based on an ethanol skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_23982 3_STAR
CHEBI:23990 biolink:ChemicalSubstance ethyl ester Any carboxylic ester resulting from the formal condensation of the carboxy group of a carboxylic acid with ethanol. phenio.json carboxylic acid ethyl ester|carboxylic acid ethyl esters|ethyl carboxylate|ethyl carboxylates|ethyl esters http://purl.obolibrary.org/obo/CHEBI_23990 3_STAR
CHEBI:23994 biolink:ChemicalSubstance ethyl methanesulfonate A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with ethanol. CAS:62-50-0|KEGG:C19239|PMID:16039156|PMID:19797863|PMID:20102787|PMID:24475756|PMID:24524729|PMID:24531730|PMID:24728647|PMID:6936603|PMID:7285888|Reaxys:773969|Wikipedia:Ethyl_methanesulfonate phenio.json EMS|ethyl mesylate|ethyl methanesulphonate|methylsulfonic acid ethyl ester|methylsulfonic acid, ethyl ester http://purl.obolibrary.org/obo/CHEBI_23994 3_STAR
CHEBI:23997 biolink:ChemicalSubstance ethyl 3-hydroxyhexanoate A fatty acid ester that is the ethyl ester of 3-hydroxyhexanoic acid. CAS:2305-25-1|Reaxys:1756736 phenio.json ethyl 3-hydroxyhexanoate http://purl.obolibrary.org/obo/CHEBI_23997 3_STAR
CHEBI:24002 biolink:ChemicalSubstance ethylene releasers phenio.json http://purl.obolibrary.org/obo/CHEBI_24002 1_STAR
CHEBI:24009 biolink:ChemicalSubstance eumelanin phenio.json http://purl.obolibrary.org/obo/CHEBI_24009 1_STAR
CHEBI:2401 biolink:ChemicalSubstance acetophenazine A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the nitogen atom and an acetyl group at position 2. CAS:2751-68-0|DrugBank:DB01063|Drug_Central:59|HMDB:HMDB0015196|KEGG:C06807|PMID:13904111|PMID:13986480|PMID:14020672|PMID:14211419|Reaxys:57631|Wikipedia:Acetophenazine phenio.json 1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)ethanone|Acetophenazine http://purl.obolibrary.org/obo/CHEBI_2401 3_STAR
CHEBI:24012 biolink:ChemicalSubstance farnesal Beilstein:1723427|CAS:19317-11-4|Gmelin:1784234|KEGG:C16501|KNApSAcK:C00030246 phenio.json 3,7,11-trimethyl-2,6,10-dodecatrienal|3,7,11-trimethyldodeca-2,6,10-trienal|farnesal http://purl.obolibrary.org/obo/CHEBI_24012 3_STAR
CHEBI:24018 biolink:ChemicalSubstance farnesyl phosphate phenio.json farnesyl phosphates http://purl.obolibrary.org/obo/CHEBI_24018 3_STAR
CHEBI:24020 biolink:ChemicalSubstance fat-soluble vitamin (role) Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess. PMID:31838543|PMID:32057251|PMID:33549284|PMID:34045883 phenio.json fat-soluble vitamin|fat-soluble vitamins|fettloesliche Vitamine http://purl.obolibrary.org/obo/CHEBI_24020 3_STAR
CHEBI:24026 biolink:ChemicalSubstance fatty alcohol An aliphatic alcohol consisting of a chain of 3 to greater than 27 carbon atoms. Fatty alcohols may be saturated or unsaturated and may be branched or unbranched. LIPID_MAPS_class:LMFA05|MetaCyc:Fatty-Alcohols|Wikipedia:Fatty_alcohol phenio.json Fettalkohol|Fettalkohole|a fatty alcohol|alcool gras|fatty alcohol|fatty alcohols http://purl.obolibrary.org/obo/CHEBI_24026 3_STAR
CHEBI:24027 biolink:ChemicalSubstance fatty-acyl group A fatty-acyl group is a group formed by loss of OH from the carboxy group of a fatty acid. PMID:15351645 phenio.json fatty-acyl group|fatty-acyl groups http://purl.obolibrary.org/obo/CHEBI_24027 3_STAR
CHEBI:24028 biolink:ChemicalSubstance iron(3+) chelator phenio.json http://purl.obolibrary.org/obo/CHEBI_24028 1_STAR
CHEBI:24031 biolink:ChemicalSubstance ferulic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_24031 3_STAR
CHEBI:24040 biolink:ChemicalSubstance flavin adenine dinucleotide phenio.json http://purl.obolibrary.org/obo/CHEBI_24040 3_STAR
CHEBI:24041 biolink:ChemicalSubstance flavin mononucleotide phenio.json http://purl.obolibrary.org/obo/CHEBI_24041 3_STAR
CHEBI:24043 biolink:ChemicalSubstance flavones A member of the class of flavonoid with a 2-aryl-1-benzopyran-4-one (2-arylchromen-4-one) skeleton and its substituted derivatives. MetaCyc:Flavones|Wikipedia:Flavone phenio.json 2-aryl-1-benzopyran-4-one|2-aryl-1-benzopyran-4-ones|2-arylchromen-4-one|2-arylchromen-4-ones|a flavone http://purl.obolibrary.org/obo/CHEBI_24043 3_STAR
CHEBI:24057 biolink:ChemicalSubstance fluoren-9-ones A member of the class of fluorenes carrying an oxo substituent at position 9. phenio.json http://purl.obolibrary.org/obo/CHEBI_24057 3_STAR
CHEBI:24059 biolink:ChemicalSubstance fluorenes An ortho-fused polycyclic arene in which the skeleton is composed of two benzene rings ortho-fused to cyclopentane. phenio.json http://purl.obolibrary.org/obo/CHEBI_24059 3_STAR
CHEBI:24060 biolink:ChemicalSubstance fluoride salt phenio.json fluoride salts|fluorides http://purl.obolibrary.org/obo/CHEBI_24060 3_STAR
CHEBI:24061 biolink:ChemicalSubstance fluorine atom CAS:7782-41-4|WebElements:F phenio.json 9F|F|Fluor|fluor|fluorine|fluorum http://purl.obolibrary.org/obo/CHEBI_24061 3_STAR
CHEBI:24062 biolink:ChemicalSubstance fluorine molecular entity phenio.json fluorine compounds|fluorine molecular entities|fluorine molecular entity http://purl.obolibrary.org/obo/CHEBI_24062 3_STAR
CHEBI:24067 biolink:ChemicalSubstance fluoroalkane A haloalkane that is an alkane in which at least one hydrogen atom has been replaced by a fluorine atom. phenio.json fluoroalkane|fluoroalkanes http://purl.obolibrary.org/obo/CHEBI_24067 3_STAR
CHEBI:24068 biolink:ChemicalSubstance fluoroamino acid An organofluorine compound that consists of an amino acid substituted by a fluoro group. phenio.json fluoroamino acids http://purl.obolibrary.org/obo/CHEBI_24068 3_STAR
CHEBI:24079 biolink:ChemicalSubstance formamides Amides with the general formula R(1)R(2)NCHO (R(1) and R(2) can be H). phenio.json http://purl.obolibrary.org/obo/CHEBI_24079 3_STAR
CHEBI:24085 biolink:ChemicalSubstance formimidoyltetrahydrofolic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_24085 3_STAR
CHEBI:24090 biolink:ChemicalSubstance formyl phosphate(2-) Beilstein:3539822 phenio.json formyl phosphate http://purl.obolibrary.org/obo/CHEBI_24090 3_STAR
CHEBI:24099 biolink:ChemicalSubstance formyltetrahydrofolic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_24099 3_STAR
CHEBI:24103 biolink:ChemicalSubstance fructosamine phenio.json fructosamine|fructosamines http://purl.obolibrary.org/obo/CHEBI_24103 3_STAR
CHEBI:24108 biolink:ChemicalSubstance fructosylglycine Beilstein:2417529|CAS:4429-05-4 phenio.json 1-[(carboxymethyl)amino]-1-deoxy-D-fructose|Fructose glycine|Fructoseglycine|Fructosyl-glycine|N-(1-deoxy-D-fructos-1-yl)glycine http://purl.obolibrary.org/obo/CHEBI_24108 3_STAR
CHEBI:24109 biolink:ChemicalSubstance fructosyllysine A glyco-amino acid consisting of a D-fructosyl residue attached to the epsilon-amino group of L-lysine. AGR:IND80109283|CAS:21291-40-7|KEGG:C16488|PMID:14641079|PMID:15080644|PMID:1556177|PMID:23609106|PMID:25538281|PMID:7718622|Reaxys:2420179 phenio.json 1-{[(5S)-5-amino-5-carboxypentyl]amino}-1-deoxy-D-fructose|Fructose lysine|Fructosyl-lysine|N(6)-(1-deoxy-D-fructos-1-yl)-L-lysine|epsilon-Fructoselysine|epsilon-fructosyl-L-lysine http://purl.obolibrary.org/obo/CHEBI_24109 3_STAR
CHEBI:24112 biolink:ChemicalSubstance fructuronate phenio.json fructuronate http://purl.obolibrary.org/obo/CHEBI_24112 3_STAR
CHEBI:24113 biolink:ChemicalSubstance fructuronic acid phenio.json fructuronic acid http://purl.obolibrary.org/obo/CHEBI_24113 3_STAR
CHEBI:24115 biolink:ChemicalSubstance fuconate phenio.json 6-deoxygalactonate http://purl.obolibrary.org/obo/CHEBI_24115 3_STAR
CHEBI:24116 biolink:ChemicalSubstance fuconic acid phenio.json 6-deoxygalactonic acid http://purl.obolibrary.org/obo/CHEBI_24116 3_STAR
CHEBI:24119 biolink:ChemicalSubstance fucoside phenio.json fucoside|fucosides http://purl.obolibrary.org/obo/CHEBI_24119 3_STAR
CHEBI:24127 biolink:ChemicalSubstance fungicide A substance used to destroy fungal pests. phenio.json fungicides http://purl.obolibrary.org/obo/CHEBI_24127 3_STAR
CHEBI:24128 biolink:ChemicalSubstance furanocoumarin Any furochromene that consists of a furan ring fused with a coumarin. The fusion may occur in different ways in give several isomers. Wikipedia:Furocoumarin phenio.json furanocoumarins http://purl.obolibrary.org/obo/CHEBI_24128 3_STAR
CHEBI:24129 biolink:ChemicalSubstance furans Compounds containing at least one furan ring. phenio.json oxacyclopenta-2,4-dienes http://purl.obolibrary.org/obo/CHEBI_24129 3_STAR
CHEBI:24138 biolink:ChemicalSubstance galactaric acid derivative A hexaric acid derivative that is formally obtained from galactaric acid. phenio.json galactaric acid derivatives|galactaric acids http://purl.obolibrary.org/obo/CHEBI_24138 3_STAR
CHEBI:24144 biolink:ChemicalSubstance galactoglucomannan A heteroglycan that consists of a backbone of randomly distributed (1->4)-linked mannose and glucose units with (1->6)-linked galactose units attached to mannose units. PMID:2426444 phenio.json http://purl.obolibrary.org/obo/CHEBI_24144 3_STAR
CHEBI:24145 biolink:ChemicalSubstance galactoglycerolipid Any glycoglycerolipid having galactosyl as the glyco component. phenio.json http://purl.obolibrary.org/obo/CHEBI_24145 3_STAR
CHEBI:24148 biolink:ChemicalSubstance galactonate phenio.json http://purl.obolibrary.org/obo/CHEBI_24148 3_STAR
CHEBI:24149 biolink:ChemicalSubstance galactonic acid A hexonic acid that has been found to increase in red blood cells of galactosemic patients. PMID:14680973 phenio.json http://purl.obolibrary.org/obo/CHEBI_24149 3_STAR
CHEBI:24150 biolink:ChemicalSubstance galactonolactone phenio.json galactonolactones|galacturonic acid lactone http://purl.obolibrary.org/obo/CHEBI_24150 3_STAR
CHEBI:24151 biolink:ChemicalSubstance galactooligosaccharide An oligosaccharide comprised of galactose residues. phenio.json galactooligosaccharides http://purl.obolibrary.org/obo/CHEBI_24151 3_STAR
CHEBI:24154 biolink:ChemicalSubstance galactosamine phosphate phenio.json galactosamine phosphate|galactosamine phosphates http://purl.obolibrary.org/obo/CHEBI_24154 3_STAR
CHEBI:24155 biolink:ChemicalSubstance galactosamine sulfate phenio.json galactosamine sulfates http://purl.obolibrary.org/obo/CHEBI_24155 3_STAR
CHEBI:24156 biolink:ChemicalSubstance galactosamine phenio.json galactosamines http://purl.obolibrary.org/obo/CHEBI_24156 3_STAR
CHEBI:24160 biolink:ChemicalSubstance galactosaminyl group A glycosaminyl group obtained by removing the hydroxy group from the hemiacetal function of a galactosamine and, by extension, of a lower oligosaccharide having a galactosamine at the reducing end. phenio.json http://purl.obolibrary.org/obo/CHEBI_24160 3_STAR
CHEBI:24163 biolink:ChemicalSubstance galactoside phenio.json galactoside|galactosides http://purl.obolibrary.org/obo/CHEBI_24163 3_STAR
CHEBI:24164 biolink:ChemicalSubstance galactosyl group A glycosyl group obtained by removing the hydroxy group from the hemiacetal function of a galactose and, by extension, of a lower oligosaccharide having galactose at the reducing end. phenio.json http://purl.obolibrary.org/obo/CHEBI_24164 3_STAR
CHEBI:24167 biolink:ChemicalSubstance galactosylglycerol phosphate phenio.json galactosylglycerol phosphates http://purl.obolibrary.org/obo/CHEBI_24167 3_STAR
CHEBI:24168 biolink:ChemicalSubstance galactosylglycerol A glycosylglycerol in which the glycosyl residue specified is galactose. phenio.json galactosylglycerols http://purl.obolibrary.org/obo/CHEBI_24168 3_STAR
CHEBI:24174 biolink:ChemicalSubstance galacturonan phenio.json galacturonans http://purl.obolibrary.org/obo/CHEBI_24174 3_STAR
CHEBI:24175 biolink:ChemicalSubstance galacturonate phenio.json galacturonates http://purl.obolibrary.org/obo/CHEBI_24175 3_STAR
CHEBI:24182 biolink:ChemicalSubstance gallotannin A class of hydrolysable tannins obtained by condensation of the carboxy group of gallic acid (and its polymeric derivatives) with the hydroxy groups of a monosaccharide (most commonly glucose). CAS:18483-17-5|KEGG:C17458|Wikipedia:Gallotannin phenio.json 1,3,6-Tri-o-galloyl-beta-D-glucose|gallotannins http://purl.obolibrary.org/obo/CHEBI_24182 3_STAR
CHEBI:24183 biolink:ChemicalSubstance galloyl beta-D-glucose A class of beta-D-glucose compounds having an unspecified number of O-galloyl groups in undeined positions. phenio.json galloyl beta-D-glucoses http://purl.obolibrary.org/obo/CHEBI_24183 3_STAR
CHEBI:24190 biolink:ChemicalSubstance gamma-glutamyl group phenio.json 4-amino-4-carboxybutanoyl|gamma-glutamyl|glutam-5-yl|isoglutamyl group http://purl.obolibrary.org/obo/CHEBI_24190 3_STAR
CHEBI:24195 biolink:ChemicalSubstance gamma-glutamylcysteine phenio.json http://purl.obolibrary.org/obo/CHEBI_24195 1_STAR
CHEBI:24215 biolink:ChemicalSubstance gentiobioside phenio.json gentiobioside|gentiobiosides http://purl.obolibrary.org/obo/CHEBI_24215 3_STAR
CHEBI:24221 biolink:ChemicalSubstance 3,7-dimethylocta-2,6-dien-1-ol Beilstein:8132082|Gmelin:2352439|LINCS:LSM-36962 phenio.json 3,7-dimethyl-2,6-octadien-1-ol|3,7-dimethylocta-2,6-dien-1-ol http://purl.obolibrary.org/obo/CHEBI_24221 3_STAR
CHEBI:24229 biolink:ChemicalSubstance geranylgeraniol A diterpenoid that is hexadeca-2,6,10,14-tetraene substituted by methyl groups at positions 3, 7, 11 and 15 and a hydroxy group at position 1. CAS:7614-21-3|LINCS:LSM-5994|PMID:23304195|PMID:23983115|PMID:24006306|PMID:24762323|Reaxys:1797446 phenio.json 3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol http://purl.obolibrary.org/obo/CHEBI_24229 3_STAR
CHEBI:2423 biolink:ChemicalSubstance acetylleucyl-leucyl-norleucinal A tripeptide composed of N-acetylleucyl, leucyl and norleucinal residues joined in sequence. CAS:110044-82-1|KEGG:C11306|LINCS:LSM-37060|PDBeChem:CIB|PMID:11348878|PMID:8386372|Reaxys:24182910|Reaxys:7656053 phenio.json (2S)-2-[(2S)-2-acetamido-4-methylpentanamido]-N-[(1S)-1-formylpentyl]-4-methylpentanamide|Ac-Leu-leu-nle-al|Acetyl-leucyl-leucyl-norleucine-aldehyde|Acetylleucyl-leucyl-norleucinal|N-Ac-Leu-leu-norleucinal|N-acetyl-L-leucyl-N-[(2S)-1-oxohexan-2-yl]-L-leucinamide|N-acetylleucylleucylnorleucinal http://purl.obolibrary.org/obo/CHEBI_2423 3_STAR
CHEBI:24231 biolink:ChemicalSubstance geranylgeranyl group phenio.json (2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraen-1-yl group|(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl http://purl.obolibrary.org/obo/CHEBI_24231 3_STAR
CHEBI:24232 biolink:ChemicalSubstance geranylgeranylglycerol 1-phosphate phenio.json geranylgeranylglycerol 1-phosphates http://purl.obolibrary.org/obo/CHEBI_24232 3_STAR
CHEBI:2424 biolink:ChemicalSubstance acetylpyruvic acid A dioxo monocarboxylic acid that is pentanoic acid carrying two oxo groups at positions 2 and 4. CAS:5699-58-1|KEGG:C02132|MetaCyc:CPD-612|PMID:1254564|Reaxys:1759444 phenio.json 2,4-Dioxopentanoate|2,4-dioxopentanoic acid|2,4-dioxovaleric acid|Acetylpyruvate|Acetylpyruvic acid http://purl.obolibrary.org/obo/CHEBI_2424 3_STAR
CHEBI:24250 biolink:ChemicalSubstance gibberellin phenio.json gibberellins http://purl.obolibrary.org/obo/CHEBI_24250 3_STAR
CHEBI:24261 biolink:ChemicalSubstance glucocorticoid Glucocorticoids are a class of steroid hormones that regulate a variety of physiological processes, in particular control of the concentration of glucose in blood. phenio.json glucocorticoids http://purl.obolibrary.org/obo/CHEBI_24261 3_STAR
CHEBI:24262 biolink:ChemicalSubstance glucoglycerolipid phenio.json http://purl.obolibrary.org/obo/CHEBI_24262 3_STAR
CHEBI:24265 biolink:ChemicalSubstance gluconate phenio.json gluconate http://purl.obolibrary.org/obo/CHEBI_24265 3_STAR
CHEBI:24266 biolink:ChemicalSubstance gluconic acid DrugBank:DB04304 phenio.json http://purl.obolibrary.org/obo/CHEBI_24266 3_STAR
CHEBI:24267 biolink:ChemicalSubstance gluconolactone phenio.json gluconolactones http://purl.obolibrary.org/obo/CHEBI_24267 3_STAR
CHEBI:24268 biolink:ChemicalSubstance glucooligosaccharide An oligosaccharide comprised of glucose residues. phenio.json glucooligosaccharides http://purl.obolibrary.org/obo/CHEBI_24268 3_STAR
CHEBI:24269 biolink:ChemicalSubstance glucosamine phosphate A hexosamine phosphate having glucosamine as the amino sugar component. phenio.json glucosamine phosphate|glucosamine phosphates http://purl.obolibrary.org/obo/CHEBI_24269 3_STAR
CHEBI:24271 biolink:ChemicalSubstance glucosamines Any hexosamine that is glucose in which at least one of the hydroxy groups has been replaced by an amino group. phenio.json http://purl.obolibrary.org/obo/CHEBI_24271 3_STAR
CHEBI:24272 biolink:ChemicalSubstance glucosaminyl group A glycosaminyl group obtained by removing the hydroxy group from the hemiacetal function of a glucosamine and, by extension, of a lower oligosaccharide having a glucosamine at the reducing end. phenio.json http://purl.obolibrary.org/obo/CHEBI_24272 3_STAR
CHEBI:24273 biolink:ChemicalSubstance glucosaminylamine A member of the class of glucosamines that is 2-amino-2-deoxyglucose in which the anomeric hydroxy group has been replaced by an additional amino group. phenio.json http://purl.obolibrary.org/obo/CHEBI_24273 3_STAR
CHEBI:24274 biolink:ChemicalSubstance glucosaminylphosphodolichol A polyprenyl glycosyl phosphate consisting of a glucosaminyl residue attached to dolichol phosphate. phenio.json glucosaminylphosphodolichols http://purl.obolibrary.org/obo/CHEBI_24274 3_STAR
CHEBI:24275 biolink:ChemicalSubstance glucosaminylphosphatidylinositol phenio.json glucosaminylphosphatidylinositols http://purl.obolibrary.org/obo/CHEBI_24275 3_STAR
CHEBI:24278 biolink:ChemicalSubstance glucoside phenio.json glucosides http://purl.obolibrary.org/obo/CHEBI_24278 3_STAR
CHEBI:24279 biolink:ChemicalSubstance glucosinolate Water-soluble anionic substituted thioglucosides. Glucosinolates have a central C atom which is bonded via an S atom to a glycone group and via an N atom to a sulfonated oxime group, and which also carries a side-group. The side-chain and sulfate group have an anti stereochemical configuration across the C=N double bond. KEGG:C17260|PMID:17139450|PMID:17461791|PMID:22405332|Wikipedia:Glucosinolate phenio.json glucosinolate|glucosinolates http://purl.obolibrary.org/obo/CHEBI_24279 3_STAR
CHEBI:24280 biolink:ChemicalSubstance D-glucosyl group The glucosyl group formed from D-glucopyranose. phenio.json D-glucopyranosyl|D-glucopyranosyl group|glucopyranosyl group|glucosyl group http://purl.obolibrary.org/obo/CHEBI_24280 3_STAR
CHEBI:24281 biolink:ChemicalSubstance glucosyl group A glycosyl group obtained by removing the hydroxy group from the hemiacetal function of a glucose and, by extension, of a lower oligosaccharide having glucose at the reducing end. phenio.json glucosyl groups http://purl.obolibrary.org/obo/CHEBI_24281 3_STAR
CHEBI:24282 biolink:ChemicalSubstance glucosyl hydroxycinnamic acid phenio.json glucosyl hydroxycinnamic acids http://purl.obolibrary.org/obo/CHEBI_24282 3_STAR
CHEBI:24286 biolink:ChemicalSubstance glucosylglycerol phosphate phenio.json glucosylglycerol phosphates http://purl.obolibrary.org/obo/CHEBI_24286 3_STAR
CHEBI:24287 biolink:ChemicalSubstance glucosylglycerol phenio.json http://purl.obolibrary.org/obo/CHEBI_24287 1_STAR
CHEBI:24289 biolink:ChemicalSubstance glucosyl-N(6)-isopentenyladenine phenio.json http://purl.obolibrary.org/obo/CHEBI_24289 1_STAR
CHEBI:24297 biolink:ChemicalSubstance glucuronate phenio.json gluconuronate|glucuronate http://purl.obolibrary.org/obo/CHEBI_24297 3_STAR
CHEBI:24298 biolink:ChemicalSubstance glucuronic acid PMID:24617284|PMID:24879518 phenio.json Glucuronsaeure|Glukuronsaeure|glucuronic acid http://purl.obolibrary.org/obo/CHEBI_24298 3_STAR
CHEBI:2430 biolink:ChemicalSubstance aconitine A diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively. CAS:302-27-2|KEGG:C06091|KNApSAcK:C00001611|PMID:12951473|PMID:14979521|PMID:16293382|PMID:16315485|PMID:16949890|PMID:17276394|PMID:17327465|PMID:18329015|PMID:18448863|PMID:19967988|PMID:20717872|PMID:20886302|PMID:20937638|PMID:20953393|PMID:21277363|PMID:21377951|PMID:21505405|PMID:21512442|PMID:21782880|PMID:9459571|Reaxys:74608 phenio.json 16-Ethyl-1alpha,6alpha,19beta-trimethoxy-4-(methoxymethyl)-aconitane-3alpha,8,10alpha,11,18alpha-pentol, 8-acetate 10-benzoate|20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diyl 8-acetate 14-benzoate|Aconitine http://purl.obolibrary.org/obo/CHEBI_2430 3_STAR
CHEBI:24301 biolink:ChemicalSubstance glucuronolactone KEGG:D01800 phenio.json glucuronolactones http://purl.obolibrary.org/obo/CHEBI_24301 3_STAR
CHEBI:24302 biolink:ChemicalSubstance glucosiduronic acid Any substance produced by linking glucuronic acid to another substance via a glycosidic bond. phenio.json glucosiduronic acids|glucuronide http://purl.obolibrary.org/obo/CHEBI_24302 3_STAR
CHEBI:24309 biolink:ChemicalSubstance glutaconic acid A pentenedioic acid that is pent-2-ene substituted by carboxy groups at positions 1 and 5. CAS:1724-02-3|PMID:21431622|PMID:23859237|PMID:853337|Reaxys:1759560 phenio.json 2-Pentenedioic acid|Glutaconic acid|Pent-2-ene-1,5-dioic acid|pent-2-enedioic acid http://purl.obolibrary.org/obo/CHEBI_24309 3_STAR
CHEBI:24311 biolink:ChemicalSubstance glutaconyl-CoA A 2-enoyl-CoA that is the glutaconyl derivative of CoA. phenio.json glutaconyl-CoAs http://purl.obolibrary.org/obo/CHEBI_24311 3_STAR
CHEBI:24313 biolink:ChemicalSubstance glutamic semialdehyde An aldehydic acid derived from the formal reduction of one of the carboxy groups glutamic acid to a formyl group. phenio.json glutamic semialdehydes http://purl.obolibrary.org/obo/CHEBI_24313 3_STAR
CHEBI:24315 biolink:ChemicalSubstance glutamic acid derivative An amino acid derivative resulting from reaction of glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing glutamic acid residues. phenio.json http://purl.obolibrary.org/obo/CHEBI_24315 3_STAR
CHEBI:24317 biolink:ChemicalSubstance L-glutamine derivative A proteinogenic amino acid derivative resulting from reaction of L-glutamine at the amino group, the carboxy group, or the carboxamide, or from the replacement of any hydrogen of L-glutamine by a heteroatom. phenio.json http://purl.obolibrary.org/obo/CHEBI_24317 3_STAR
CHEBI:24318 biolink:ChemicalSubstance glutamine family amino acid An L-alpha-amino acid which is L-glutamic acid or any of the essential amino acids biosynthesised from it (glutamine, proline and arginine). A closed class. PMID:20716061 phenio.json glutamine family amino acids http://purl.obolibrary.org/obo/CHEBI_24318 3_STAR
CHEBI:24319 biolink:ChemicalSubstance EC 6.3.1.2 (glutamate--ammonia ligase) inhibitor An EC 6.3.* (C-N bond-forming ligase) inhibitor that interferes with the action of glutamate--ammonia ligase (EC 6.3.1.2). Wikipedia:Glutamine_synthetase phenio.json EC 6.3.1.2 (glutamate--ammonia ligase) inhibitors|EC 6.3.1.2 inhibitor|EC 6.3.1.2 inhibitors|L-glutamate:ammonia ligase (ADP-forming) inhibitor|L-glutamate:ammonia ligase (ADP-forming) inhibitors|L-glutamine synthetase inhibitor|L-glutamine synthetase inhibitors|glutamate--ammonia ligase (EC 6.3.1.2) inhibitor|glutamate--ammonia ligase (EC 6.3.1.2) inhibitors|glutamate--ammonia ligase inhibitor|glutamate--ammonia ligase inhibitors|glutamine synthetase inhibitor|glutamine synthetase inhibitors|glutamylhydroxamic synthetase inhibitor|glutamylhydroxamic synthetase inhibitors http://purl.obolibrary.org/obo/CHEBI_24319 3_STAR
CHEBI:24321 biolink:ChemicalSubstance glutamo group phenio.json (1,3-dicarboxypropyl)amino|glutamo http://purl.obolibrary.org/obo/CHEBI_24321 3_STAR
CHEBI:24323 biolink:ChemicalSubstance glutamyl-L-amino acid A dipeptide in which one of the amino acid residues is glutamine. phenio.json glutamyl-L-amino acids http://purl.obolibrary.org/obo/CHEBI_24323 3_STAR
CHEBI:24326 biolink:ChemicalSubstance glutaramic acid A dicarboxylic acid monoamide that is formally derived from glutaric acid by conversion of one of the two carboxylic acid groups to the corresponding amide. CAS:25335-74-4|Reaxys:1759038 phenio.json 4-(aminocarbonyl)butanoic acid|4-carbamoylbutanoic acid|4-carbamoylbutyric acid|4-carboxybutyramide|5-amino-5-oxopentanoic acid|glutaramic acid|glutaric acid monoamide http://purl.obolibrary.org/obo/CHEBI_24326 3_STAR
CHEBI:24329 biolink:ChemicalSubstance glutarate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of glutaric acid. phenio.json glutarate anion|glutarates|glutaric acid anion http://purl.obolibrary.org/obo/CHEBI_24329 3_STAR
CHEBI:24333 biolink:ChemicalSubstance glutaryl-CoAs Any omega-carboxyacyl-CoA in which the acyl group specified is glutaryl or its substituted derivative. phenio.json glutaryl-CoAs http://purl.obolibrary.org/obo/CHEBI_24333 3_STAR
CHEBI:24335 biolink:ChemicalSubstance glutathione conjugate Any bioconjugate in which glutathione is one of the components phenio.json http://purl.obolibrary.org/obo/CHEBI_24335 3_STAR
CHEBI:24337 biolink:ChemicalSubstance glutathione derivative Any organonitrogen compound derived from the Glu-Cys-Gly tripeptide glutathione. phenio.json glutathione derivatives http://purl.obolibrary.org/obo/CHEBI_24337 3_STAR
CHEBI:24344 biolink:ChemicalSubstance 2-phosphoglyceric acid A monophosphoglyceric acid having the phospho group at the 2-position. DrugBank:DB01709|Wikipedia:2-Phosphoglyceric_acid phenio.json 3-hydroxy-2-(phosphonooxy)propanoic acid http://purl.obolibrary.org/obo/CHEBI_24344 3_STAR
CHEBI:24346 biolink:ChemicalSubstance phosphoglyceric acid An aldonic acid phosphate where the aldonic acid component is glyceric acid. phenio.json glyceric acid phosphate|glyceric acid phosphates|glycerophosphate http://purl.obolibrary.org/obo/CHEBI_24346 3_STAR
CHEBI:24347 biolink:ChemicalSubstance glycerates phenio.json http://purl.obolibrary.org/obo/CHEBI_24347 3_STAR
CHEBI:24353 biolink:ChemicalSubstance glycerol ether Any ether having glyceryl as at least one of the O-substituents. phenio.json http://purl.obolibrary.org/obo/CHEBI_24353 3_STAR
CHEBI:24356 biolink:ChemicalSubstance glycerone phosphates phenio.json http://purl.obolibrary.org/obo/CHEBI_24356 3_STAR
CHEBI:24358 biolink:ChemicalSubstance glycerone derivative phenio.json glycerone derivatives|glycerones http://purl.obolibrary.org/obo/CHEBI_24358 3_STAR
CHEBI:24360 biolink:ChemicalSubstance glycerophosphoglycerols phenio.json http://purl.obolibrary.org/obo/CHEBI_24360 3_STAR
CHEBI:24367 biolink:ChemicalSubstance glycinamide ribonucleotide(2-) PDBeChem:GAR|Wikipedia:Glycineamide_ribonucleotide phenio.json N-glycyl-5-O-phosphonato-beta-D-ribofuranosylamine|glycinamide ribonucleotide http://purl.obolibrary.org/obo/CHEBI_24367 3_STAR
CHEBI:24373 biolink:ChemicalSubstance glycine derivative A proteinogenic amino acid derivative resulting from reaction of glycine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. phenio.json http://purl.obolibrary.org/obo/CHEBI_24373 3_STAR
CHEBI:24384 biolink:ChemicalSubstance glycogens phenio.json http://purl.obolibrary.org/obo/CHEBI_24384 3_STAR
CHEBI:24385 biolink:ChemicalSubstance glycoglycerolipid phenio.json glycoglycerolipids http://purl.obolibrary.org/obo/CHEBI_24385 3_STAR
CHEBI:24387 biolink:ChemicalSubstance glycolaldehydes An aldehyde derived from a glycol by reduction of one of the hydroxy groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_24387 3_STAR
CHEBI:24396 biolink:ChemicalSubstance glycopeptide Any carbohydrate derivative that consists of glycan moieties covalently attached to the side chains of the amino acid residues that constitute the peptide. phenio.json glycopeptides http://purl.obolibrary.org/obo/CHEBI_24396 3_STAR
CHEBI:24397 biolink:ChemicalSubstance glycophospholipid Any phospholipid that contain both phosphate and carbohydrate as integral structural components. phenio.json a glycophospholipid|glycophospholipid|glycophospholipids|phosphoglycolipids http://purl.obolibrary.org/obo/CHEBI_24397 3_STAR
CHEBI:24399 biolink:ChemicalSubstance glycosaminyl group A glycosyl group obtained by removing the hydroxy group from the hemiacetal function of a glycosamine and, by extension, of a lower oligosaccharide having a glycosamine at the reducing end. phenio.json http://purl.obolibrary.org/obo/CHEBI_24399 3_STAR
CHEBI:2440 biolink:ChemicalSubstance acrovestone A polyphenol that is isolated from Acronychia pedunculata and exhibits moderate antioxidant and antityrosinase activities. CAS:24177-16-0|KEGG:C09916|KNApSAcK:C00002978|PMID:12880321|PMID:22708987|PMID:2506892|PMID:2614422|Reaxys:2611012 phenio.json 1-(3-{1-[3-acetyl-2,6-dihydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-methylbutyl}-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)phenyl)ethan-1-one|Acrovestone http://purl.obolibrary.org/obo/CHEBI_2440 3_STAR
CHEBI:24400 biolink:ChemicalSubstance glycoside A glycosyl compound resulting from the attachment of a glycosyl group to a non-acyl group RO-, RS-, RSe-, etc. The bond between the glycosyl group and the non-acyl group is called a glycosidic bond. By extension, the terms N-glycosides and C-glycosides are used as class names for glycosylamines and for compounds having a glycosyl group attached to a hydrocarbyl group respectively. These terms are misnomers and should not be used. The preferred terms are glycosylamines and C-glycosyl compounds, respectively. phenio.json O-glycoside|O-glycosides|glycosides http://purl.obolibrary.org/obo/CHEBI_24400 3_STAR
CHEBI:24401 biolink:ChemicalSubstance glycosinolate An sulfur oxoanion resulting from the deprotonation of the hydroxy group attached to the sulfur of a glycosinolic acid. phenio.json glycosinolate|glycosinolates http://purl.obolibrary.org/obo/CHEBI_24401 3_STAR
CHEBI:24402 biolink:ChemicalSubstance glycosphingolipid A glycosphingolipid is a glycolipid that is a carbohydrate-containing derivative of a sphingoid or ceramide. It is understood that the carbohydrate residue is attached by a glycosidic linkage to O-1 of the sphingoid. PMID:18845618|PMID:19303901|PMID:26954668|PMID:26976737|PMID:27253729|PMID:27325407|Wikipedia:Glycosphingolipid phenio.json glycosphingolipids http://purl.obolibrary.org/obo/CHEBI_24402 3_STAR
CHEBI:24403 biolink:ChemicalSubstance glycosyl group An organic group obtained by removing the hydroxy group from the hemiacetal function of a monosaccharide or monosaccharide derivative and, by extension, of a lower oligosaccharide or oligosaccharide derivative. phenio.json glycosyl group|glycosyl groups|groupe glycosyle http://purl.obolibrary.org/obo/CHEBI_24403 3_STAR
CHEBI:24405 biolink:ChemicalSubstance glycosylglucose phenio.json glycosylglucoses http://purl.obolibrary.org/obo/CHEBI_24405 3_STAR
CHEBI:24406 biolink:ChemicalSubstance glycosylglycerol A glycoside resulting from the condensation of one of the hydroxy groups of glycerol with a glycosyl group. phenio.json glyceryl glycoside|glyceryl glycosides|glycosylglycerols http://purl.obolibrary.org/obo/CHEBI_24406 3_STAR
CHEBI:24407 biolink:ChemicalSubstance glycosyl glycoside Any disaccharide in which the two monosaccharide components are connected by a glycosidic linkage between their anomeric centres. phenio.json glycosyl glycoside|glycosyl glycosides http://purl.obolibrary.org/obo/CHEBI_24407 3_STAR
CHEBI:24410 biolink:ChemicalSubstance glycosylphosphatidylinositol phenio.json glycophosphatidylinositols|glycosylphosphatidylinositols http://purl.obolibrary.org/obo/CHEBI_24410 3_STAR
CHEBI:24431 biolink:ChemicalSubstance chemical entity A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances. phenio.json chemical entity http://purl.obolibrary.org/obo/CHEBI_24431 3_STAR
CHEBI:24432 biolink:ChemicalSubstance biological role A role played by the molecular entity or part thereof within a biological context. phenio.json biological function http://purl.obolibrary.org/obo/CHEBI_24432 3_STAR
CHEBI:24433 biolink:ChemicalSubstance group A defined linked collection of atoms or a single atom within a molecular entity. phenio.json Gruppe|Rest|group|groupe|grupo|grupos http://purl.obolibrary.org/obo/CHEBI_24433 3_STAR
CHEBI:24436 biolink:ChemicalSubstance guanidines Any organonitrogen compound containing a carbamimidamido (guanidino) group. Guanidines have the general structure (R(1)R(2)N)(R(3)R(4)N)C=N-R(5) and are related structurally to amidines and ureas. phenio.json http://purl.obolibrary.org/obo/CHEBI_24436 3_STAR
CHEBI:24439 biolink:ChemicalSubstance guanidinoacetic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_24439 1_STAR
CHEBI:244418 biolink:ChemicalSubstance dehydrocostus lactone An organic heterotricyclic compound and guaianolide sesquiterpene lactone that is acrylic acid which is substituted at position 2 by a 4-hydroxy-3,8-bis(methylene)decahydoazulen-5-yl group and in which the hydroxy group and the carboxy group have undergone formal condensation to afford the corresponding gamma-lactone. CAS:477-43-0|KEGG:C09387|KNApSAcK:C00003245|PMID:10193198|PMID:12419922|PMID:14192430|PMID:15209353|PMID:15881118|PMID:17391667|PMID:19148545|PMID:19188481|PMID:19457452|PMID:19700217|PMID:21353686|PMID:21472220|PMID:21596031|PMID:22359572|PMID:23047249|PMID:6476889|PMID:8541643|PMID:9784148|PMID:9917276|Patent:CN102058579|Reaxys:4733740 phenio.json (-)-dehydrocostus lactone|(-)-dehydrocostuslactone|(3aR,6aS,9aS,9bR)-3,6,9-tris(methylene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione|(3aR,6aS,9aS,9bR)-3,6,9-tris(methylidene)octahydroazuleno[4,5-b]furan-2,8(3H,4H)-dione|(3aS,6aR,9aR,9bS)-decahydro-3,6,9-tris(methylene)azuleno[4,5-b]furan-2(3H)-one|dehydrocostuslactone http://purl.obolibrary.org/obo/CHEBI_244418 3_STAR
CHEBI:24442 biolink:ChemicalSubstance guanidinoethyl methyl phosphates phenio.json http://purl.obolibrary.org/obo/CHEBI_24442 3_STAR
CHEBI:24455 biolink:ChemicalSubstance guanosine phosphate phenio.json guanosine phosphates http://purl.obolibrary.org/obo/CHEBI_24455 3_STAR
CHEBI:24458 biolink:ChemicalSubstance guanosines Any purine ribonucleoside that is a derivative of guanosine. phenio.json http://purl.obolibrary.org/obo/CHEBI_24458 3_STAR
CHEBI:24461 biolink:ChemicalSubstance gulonate phenio.json http://purl.obolibrary.org/obo/CHEBI_24461 3_STAR
CHEBI:24462 biolink:ChemicalSubstance gulonic acid A hexonic acid formed by oxidising the aldehyde group of gulose to a carboxylic acid group. PMID:19768707 phenio.json http://purl.obolibrary.org/obo/CHEBI_24462 3_STAR
CHEBI:24469 biolink:ChemicalSubstance haloalkane A halohydrocarbon that is an alkane in which at least one hydrogen atom has been replaced by with a halogen atom. phenio.json alkyl halide|alkyl halides|haloalkanes http://purl.obolibrary.org/obo/CHEBI_24469 3_STAR
CHEBI:24470 biolink:ChemicalSubstance haloamino acid Any non-proteinogenic amino acid carrying at least one halo group. phenio.json haloamino acids http://purl.obolibrary.org/obo/CHEBI_24470 3_STAR
CHEBI:24471 biolink:ChemicalSubstance halogen molecular entity phenio.json halogen compounds|halogen molecular entities|halogen molecular entity http://purl.obolibrary.org/obo/CHEBI_24471 3_STAR
CHEBI:24472 biolink:ChemicalSubstance halohydrocarbon A compound derived from a hydrocarbon by replacing a hydrogen atom with a halogen atom. phenio.json halogenated hydrocarbons|halohydrocarbons http://purl.obolibrary.org/obo/CHEBI_24472 3_STAR
CHEBI:24473 biolink:ChemicalSubstance halogen phenio.json Halogene|group 17 elements|group VII elements|halogen|halogene|halogenes|halogeno|halogenos|halogens http://purl.obolibrary.org/obo/CHEBI_24473 3_STAR
CHEBI:24479 biolink:ChemicalSubstance heme a CAS:18535-39-2|COMe:MOL000016|PDBeChem:HEA phenio.json (cytoporphyrinato)iron|HEME-A|haem a|heme a http://purl.obolibrary.org/obo/CHEBI_24479 3_STAR
CHEBI:2448 biolink:ChemicalSubstance actinorhodin A member of the class of benzoisochromanequinone that is produced by Streptomyces coelicolor A3(2) and exhibits antibiotic activity. Beilstein:76401|CAS:1397-77-9|KEGG:C06691|MetaCyc:CPD1A0-6123|PDBeChem:ZCT|PMID:15054568|PMID:17579485|PMID:18207163|PMID:24240146|PMID:24963940|PMID:521794|Reaxys:22788170|Wikipedia:Actinorhodin phenio.json 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-[8,8'-bibenzo[g]isochromene]-3,3'-diyl]diacetic acid|2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-[8,8'-binaphtho[2,3-c]pyran]-3,3'-diyl]diacetic acid|Actinorhodin|Actinorhodine http://purl.obolibrary.org/obo/CHEBI_2448 3_STAR
CHEBI:24480 biolink:ChemicalSubstance heme o CAS:137397-56-9|COMe:MOL000017|KEGG:C15672 phenio.json haem o|heme O|heme o http://purl.obolibrary.org/obo/CHEBI_24480 3_STAR
CHEBI:24495 biolink:ChemicalSubstance heparan alpha-D-glucosaminide phenio.json heparan alpha-D-glucosaminide|heparan alpha-D-glucosaminides http://purl.obolibrary.org/obo/CHEBI_24495 3_STAR
CHEBI:24499 biolink:ChemicalSubstance heparan sulfate proteoglycan phenio.json http://purl.obolibrary.org/obo/CHEBI_24499 1_STAR
CHEBI:2450 biolink:ChemicalSubstance aculeacin A A lipopeptide that is isolated from Aspergillus aculeatus and exhibits antifungal activity. CAS:58814-86-1|KEGG:C01776|KNApSAcK:C00016077|MetaCyc:CPD-13365|PMID:324959|PMID:324960|PMID:3325782|PMID:7042670|PMID:7042671|PMID:7425782|Reaxys:26317172 phenio.json Aculeacin A|Aculeacins|aculeacin A http://purl.obolibrary.org/obo/CHEBI_2450 3_STAR
CHEBI:24500 biolink:ChemicalSubstance heparan phenio.json heparans http://purl.obolibrary.org/obo/CHEBI_24500 3_STAR
CHEBI:24505 biolink:ChemicalSubstance heparins phenio.json http://purl.obolibrary.org/obo/CHEBI_24505 3_STAR
CHEBI:24521 biolink:ChemicalSubstance heptenedioate phenio.json heptenedioates http://purl.obolibrary.org/obo/CHEBI_24521 3_STAR
CHEBI:24522 biolink:ChemicalSubstance heptenedioic acid A dicarboxylic acid that is heptene carrying two carboxy groups. phenio.json heptenedioic acids http://purl.obolibrary.org/obo/CHEBI_24522 3_STAR
CHEBI:24523 biolink:ChemicalSubstance heptenone Any ketone that ia heptane substituted by an oxo group at unspecified position. phenio.json http://purl.obolibrary.org/obo/CHEBI_24523 3_STAR
CHEBI:24527 biolink:ChemicalSubstance herbicide A substance used to destroy plant pests. Wikipedia:Herbicide phenio.json Herbizid|Unkrautbekaempfungsmittel|Unkrautvertilgungsmittel|Wildkrautbekaempfungsmittel|herbicides http://purl.obolibrary.org/obo/CHEBI_24527 3_STAR
CHEBI:2453 biolink:ChemicalSubstance acyclovir An oxopurine that is guanine substituted by a (2-hydroxyethoxy)methyl substituent at position 9. Used in the treatment of viral infections. CAS:59277-89-3|DrugBank:DB00787|Drug_Central:85|HMDB:HMDB0014925|KEGG:C06810|KEGG:D00222|LINCS:LSM-5459|PDBeChem:AC2|PMID:11687127|PMID:11994034|PMID:24346595|PMID:26024233|PMID:28166217|PMID:8308511|Patent:DE2539963|Patent:US4199574|Reaxys:1219402|Wikipedia:Acyclovir phenio.json 2-amino-9-[(2-hydroxyethoxy)methyl]-1,9-dihydro-6H-purin-6-one|Zovir|aciclovir|aciclovirum|acycloguanosine http://purl.obolibrary.org/obo/CHEBI_2453 3_STAR
CHEBI:24531 biolink:ChemicalSubstance heterocyclic antibiotic phenio.json http://purl.obolibrary.org/obo/CHEBI_24531 1_STAR
CHEBI:24532 biolink:ChemicalSubstance organic heterocyclic compound A cyclic compound having as ring members atoms of carbon and at least of one other element. phenio.json organic heterocycle|organic heterocyclic compounds http://purl.obolibrary.org/obo/CHEBI_24532 3_STAR
CHEBI:24533 biolink:ChemicalSubstance heterodetic cyclic peptide A heterodetic cyclic peptide is a peptide consisting only of amino-acid residues, but in which the linkages forming the ring are not solely peptide bonds; one or more is an isopeptide, disulfide, ester, or other bond. phenio.json heterodetic cyclic peptide|heterodetic cyclic peptides|peptide cyclique heterodetique|peptido ciclico heterodetico http://purl.obolibrary.org/obo/CHEBI_24533 3_STAR
CHEBI:24536 biolink:ChemicalSubstance hexachlorocyclohexane Beilstein:1907331|CAS:608-73-1|Gmelin:261134|KEGG:C18738|PMID:31394347|PMID:32827819 phenio.json 1,2,3,4,5,6-Hexachlorocyclohexane|1,2,3,4,5,6-hexachlorocyclohexane|BHC|HCH|Hexachlorcyclohexan|Hexachlorzyklohexan|benzene hexachloride|hexachlorocyclohexane|hexachlorocyclohexanes http://purl.obolibrary.org/obo/CHEBI_24536 3_STAR
CHEBI:24545 biolink:ChemicalSubstance hexadecatrienoic acid Any trienoic fatty acid having sixteen carbons. phenio.json 16:3|C16:3|hexadecatrienoic acids http://purl.obolibrary.org/obo/CHEBI_24545 3_STAR
CHEBI:24547 biolink:ChemicalSubstance hexadecenal A monounsaturated fatty acid aldehyde that is hexadecanal which has undergone formal dehydrogenation to introduce a double bond at unspecified position. phenio.json hexadecenals http://purl.obolibrary.org/obo/CHEBI_24547 3_STAR
CHEBI:24548 biolink:ChemicalSubstance hexadecenoic acid A C16 straight-chain monounsaturated fatty acid having one C=C double bond. PMID:17439666 phenio.json 16:1|C16:1|FA 16:1|Hexadecensaeure|Hexadecensaeuren|acide hexadecenoique|acides hexadecenoiques|acido hexadecenoico|acidos hexadecenoicos|hexadecenoic acid|hexadecenoic acid 16:1 http://purl.obolibrary.org/obo/CHEBI_24548 3_STAR
CHEBI:24549 biolink:ChemicalSubstance hexadecenoyl-CoA A monounsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any hexadecenoic acid. PMID:1278159 phenio.json 16:1-CoA|C16:1-CoA|hexadecenoyl-CoAs|hexadecenoyl-coenzyme A|hexadecenoyl-coenzyme As http://purl.obolibrary.org/obo/CHEBI_24549 3_STAR
CHEBI:24551 biolink:ChemicalSubstance hexadienal An enal that is hexadiene carrying an oxo group at position 1. phenio.json hexadienals http://purl.obolibrary.org/obo/CHEBI_24551 3_STAR
CHEBI:24552 biolink:ChemicalSubstance hexadienedioate phenio.json hexadienedioates http://purl.obolibrary.org/obo/CHEBI_24552 3_STAR
CHEBI:24553 biolink:ChemicalSubstance hexadienedioic acid phenio.json hexadienedioic acids http://purl.obolibrary.org/obo/CHEBI_24553 3_STAR
CHEBI:24554 biolink:ChemicalSubstance hexadienoate phenio.json hexadienoates http://purl.obolibrary.org/obo/CHEBI_24554 3_STAR
CHEBI:24555 biolink:ChemicalSubstance hexadienoic acid phenio.json hexadienoic acid http://purl.obolibrary.org/obo/CHEBI_24555 3_STAR
CHEBI:24561 biolink:ChemicalSubstance hexahydroxyflavone Members of the class of hydroxyflavone that is flavone substituted by 6 hydroxy groups. phenio.json hexahydroxyflavones http://purl.obolibrary.org/obo/CHEBI_24561 3_STAR
CHEBI:24564 biolink:ChemicalSubstance hexamethylmelamine Beilstein:195058|CAS:645-05-6|Drug_Central:141|Gmelin:603940|LINCS:LSM-3492|Patent:DE1240870|Patent:US3424752|Wikipedia:Altretamine phenio.json 2,4,6-tris(dimethylamino)-1,3,5-triazine|2,4,6-tris(dimethylamino)-s-triazine|HMM|Hexalen|Hexastat|N,N,N',N',N'',N''-hexamethyl-1,3,5-triazine-2,4,6-triamine|altretamina|altretamine|altretaminum http://purl.obolibrary.org/obo/CHEBI_24564 3_STAR
CHEBI:24567 biolink:ChemicalSubstance cyclohexane-1,2-diol A diol that consists of a cyclohexane skeleton carrying two hydroxy substituents. CAS:931-17-9|Reaxys:2036627|Wikipedia:Cyclohexane-1,2-diol phenio.json 1,2-Cyclohexanediol|2-Hydroxycyclohexanol http://purl.obolibrary.org/obo/CHEBI_24567 3_STAR
CHEBI:24573 biolink:ChemicalSubstance hexanone A ketone that is a hexane carrying an oxo substituent at unspecified position. phenio.json hexanones http://purl.obolibrary.org/obo/CHEBI_24573 3_STAR
CHEBI:24576 biolink:ChemicalSubstance hexaric acid anion phenio.json hexarate|hexarates|hexaric acid anions http://purl.obolibrary.org/obo/CHEBI_24576 3_STAR
CHEBI:24577 biolink:ChemicalSubstance hexaric acid phenio.json hexaric acid|hexaric acids http://purl.obolibrary.org/obo/CHEBI_24577 3_STAR
CHEBI:24578 biolink:ChemicalSubstance hexenal A monounsaturated fatty acid aldehyde that is hexene having an oxo group at position 1. phenio.json http://purl.obolibrary.org/obo/CHEBI_24578 3_STAR
CHEBI:24580 biolink:ChemicalSubstance hexenoic acid A C6, medium-chain fatty acid carrying a double bond at any position along the main chain. phenio.json hexenoic acid|hexenoic acids http://purl.obolibrary.org/obo/CHEBI_24580 3_STAR
CHEBI:24582 biolink:ChemicalSubstance hexitol phosphate phenio.json hexitol phosphate|hexitol phosphates http://purl.obolibrary.org/obo/CHEBI_24582 3_STAR
CHEBI:24583 biolink:ChemicalSubstance hexitol phenio.json hexitol|hexitols http://purl.obolibrary.org/obo/CHEBI_24583 3_STAR
CHEBI:24584 biolink:ChemicalSubstance hexosamine phosphate phenio.json hexosamine phosphate|hexosamine phosphates http://purl.obolibrary.org/obo/CHEBI_24584 3_STAR
CHEBI:24585 biolink:ChemicalSubstance hexosamine sulfate phenio.json hexosamine sulfates http://purl.obolibrary.org/obo/CHEBI_24585 3_STAR
CHEBI:24586 biolink:ChemicalSubstance hexosamine Any 6-carbon amino monosaccharide with at least one alcoholic hydroxy group replaced by an amino group. phenio.json hexosamine|hexosamines http://purl.obolibrary.org/obo/CHEBI_24586 3_STAR
CHEBI:24587 biolink:ChemicalSubstance hexosaminide phenio.json hexosaminide|hexosaminides http://purl.obolibrary.org/obo/CHEBI_24587 3_STAR
CHEBI:24588 biolink:ChemicalSubstance hexose 1-phosphate phenio.json hexose 1-phosphates http://purl.obolibrary.org/obo/CHEBI_24588 3_STAR
CHEBI:24589 biolink:ChemicalSubstance monosaccharide sulfate Any carbohydrate sulfate that is a monosaccharide carrying at least one O-sulfo substituent. phenio.json monosaccharide sulfates http://purl.obolibrary.org/obo/CHEBI_24589 3_STAR
CHEBI:24591 biolink:ChemicalSubstance hexuronate A uronate obtained via deprotonation of the carboxy group of any hexuronic acid. phenio.json hexuronate|hexuronates|hexuronide|hexuronides http://purl.obolibrary.org/obo/CHEBI_24591 3_STAR
CHEBI:24592 biolink:ChemicalSubstance hexuronic acid phenio.json hexuronic acid|hexuronic acids http://purl.obolibrary.org/obo/CHEBI_24592 3_STAR
CHEBI:24599 biolink:ChemicalSubstance histidine derivative An amino acid derivative resulting from reaction of histidine at the amino group or the carboxy group, or from the replacement of any hydrogen of histidine by a heteroatom. The definition normally excludes peptides containing alanine residues. phenio.json histidine derivatives http://purl.obolibrary.org/obo/CHEBI_24599 3_STAR
CHEBI:24606 biolink:ChemicalSubstance homoarginine phenio.json http://purl.obolibrary.org/obo/CHEBI_24606 1_STAR
CHEBI:24610 biolink:ChemicalSubstance homocysteines phenio.json http://purl.obolibrary.org/obo/CHEBI_24610 1_STAR
CHEBI:24612 biolink:ChemicalSubstance homocystines A non-proteinogenic alpha-amino acid obtained by oxidative dimerisation of homocysteine and its derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_24612 3_STAR
CHEBI:24613 biolink:ChemicalSubstance homodetic cyclic peptide A homodetic cyclic peptide is a cyclic peptide in which the ring consists solely of amino-acid residues in peptide linkages. phenio.json homodetic cyclic peptide|homodetic cyclic peptides|peptide cyclique homodetique|peptido ciclico homodetico http://purl.obolibrary.org/obo/CHEBI_24613 3_STAR
CHEBI:24619 biolink:ChemicalSubstance homoserine derivative phenio.json http://purl.obolibrary.org/obo/CHEBI_24619 1_STAR
CHEBI:24621 biolink:ChemicalSubstance hormone Originally referring to an endogenous compound that is formed in specialized organ or group of cells and carried to another organ or group of cells, in the same organism, upon which it has a specific regulatory function, the term is now commonly used to include non-endogenous, semi-synthetic and fully synthetic analogues of such compounds. phenio.json endocrine|hormones http://purl.obolibrary.org/obo/CHEBI_24621 3_STAR
CHEBI:24628 biolink:ChemicalSubstance imidazolidine-2,4-dione An imidazolidinone with oxo groups at position 2 and 4. phenio.json http://purl.obolibrary.org/obo/CHEBI_24628 3_STAR
CHEBI:24631 biolink:ChemicalSubstance hydrazines Hydrazine (diazane) and its substituted derivatives. phenio.json hydrazines http://purl.obolibrary.org/obo/CHEBI_24631 3_STAR
CHEBI:24632 biolink:ChemicalSubstance hydrocarbon A compound consisting of carbon and hydrogen only. phenio.json Kohlenwasserstoff|Kohlenwasserstoffe|hidrocarburo|hidrocarburos|hydrocarbon|hydrocarbons|hydrocarbure http://purl.obolibrary.org/obo/CHEBI_24632 3_STAR
CHEBI:24636 biolink:ChemicalSubstance proton Nuclear particle of charge number +1, spin 1/2 and rest mass of 1.007276470(12) u. CAS:12408-02-5|KEGG:C00080 phenio.json (1)1H(+)|(1)H(+)|p|p(+)|protium(1+)|proton http://purl.obolibrary.org/obo/CHEBI_24636 3_STAR
CHEBI:246422 biolink:ChemicalSubstance dUMP(2-) A 2'-deoxyribonucleoside 5'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxyuridine 5'-monophosphate (dUMP); major species at pH 7.3. Beilstein:4011255|Gmelin:338416 phenio.json 2'-deoxy-5'-O-phosphonatouridine|dUMP|dUMP dianion|deoxyuridine 5'-phosphate dianion|deoxyuridine 5'-phosphate(2-)|deoxyuridylate http://purl.obolibrary.org/obo/CHEBI_246422 3_STAR
CHEBI:24644 biolink:ChemicalSubstance HPETE Mono-hydroperoxy (e)icosatetraenoic acids (HPETEs) are the primary products of lipoxygenase-catalysed oxygenation of arachidonic acid. phenio.json HPETEs|Mono-hydroperoxy icosatetraenoic acids http://purl.obolibrary.org/obo/CHEBI_24644 3_STAR
CHEBI:24646 biolink:ChemicalSubstance hydroquinones Benzenediols that have the hydroxy substituents in the 1- and 4-positions. phenio.json 1,4-benzoquinols|a 1,4-benzoquinol|a quinol|benzene-1,4-diols http://purl.obolibrary.org/obo/CHEBI_24646 3_STAR
CHEBI:24648 biolink:ChemicalSubstance hydroxamic acid anion An oxoanion resulting from the removal of a proton from the hydroxy group of any hydroxamic acid. phenio.json hydroxamate|hydroxamates|hydroxamic acid anions|hydroxamic anion|hydroxamic anions http://purl.obolibrary.org/obo/CHEBI_24648 3_STAR
CHEBI:24650 biolink:ChemicalSubstance hydroxamic acid A compound, RkE(=O)lNHOH, derived from an oxoacid RkE(=O)l(OH) (l =/= 0) by replacing -OH with -NHOH, and derivatives thereof. Specific examples of hydroxamic acids are preferably named as N-hydroxy amides. phenio.json N-hydroxy amide|N-hydroxy amides|N-hydroxy-amide|N-hydroxy-amides|N-hydroxyamide|N-hydroxyamides|hydroxamic acids http://purl.obolibrary.org/obo/CHEBI_24650 3_STAR
CHEBI:24651 biolink:ChemicalSubstance hydroxides Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)). phenio.json http://purl.obolibrary.org/obo/CHEBI_24651 3_STAR
CHEBI:24654 biolink:ChemicalSubstance hydroxy fatty acid Any fatty acid carrying one or more hydroxy substituents. LIPID_MAPS_class:LMFA0105|PMID:18296335|PMID:6419288|PMID:8274032 phenio.json hydroxy fatty acids http://purl.obolibrary.org/obo/CHEBI_24654 3_STAR
CHEBI:24658 biolink:ChemicalSubstance hydroxy-L-arginine A hydroxy-amino acid that is L-arginine substituted by at least one hydroxy group. phenio.json http://purl.obolibrary.org/obo/CHEBI_24658 3_STAR
CHEBI:24659 biolink:ChemicalSubstance hydroxy-L-glutamic acid A hydroxy-amino acid that is L-glutamic acid substituted by at least one hydroxy group. phenio.json http://purl.obolibrary.org/obo/CHEBI_24659 3_STAR
CHEBI:24661 biolink:ChemicalSubstance hydroxy-L-lysine A hydroxy-amino acid that is L-lysine substituted by hydroxy groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_24661 3_STAR
CHEBI:24662 biolink:ChemicalSubstance hydroxy-amino acid A non-proteinogenic alpha-amino acid bearing one or more hydroxy groups at unspecified positions. phenio.json http://purl.obolibrary.org/obo/CHEBI_24662 3_STAR
CHEBI:24663 biolink:ChemicalSubstance hydroxy-5beta-cholanic acid Any member of the class of 5beta-cholanic acids carrying at least one hydroxy group at unspecified position. phenio.json hydroxy-5beta-cholanic acids http://purl.obolibrary.org/obo/CHEBI_24663 3_STAR
CHEBI:24668 biolink:ChemicalSubstance hydroxyacetophenone Any member of the class of acetophenones carrying at least one hydroxy substituent. phenio.json hydroxyacetophenones http://purl.obolibrary.org/obo/CHEBI_24668 3_STAR
CHEBI:24669 biolink:ChemicalSubstance hydroxy carboxylic acid Any carboxylic acid with at least one hydroxy group. phenio.json hydroxy carboxylic acids|hydroxycarboxylic acid|hydroxycarboxylic acids http://purl.obolibrary.org/obo/CHEBI_24669 3_STAR
CHEBI:24673 biolink:ChemicalSubstance hydroxybenzaldehyde CAS:28777-87-9 phenio.json formylphenol|hydroxybenzaldehyde http://purl.obolibrary.org/obo/CHEBI_24673 3_STAR
CHEBI:24675 biolink:ChemicalSubstance hydroxybenzoate Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent. phenio.json hydroxybenzoates http://purl.obolibrary.org/obo/CHEBI_24675 3_STAR
CHEBI:24676 biolink:ChemicalSubstance hydroxybenzoic acid Any benzoic acid carrying one or more phenolic hydroxy groups on the benzene ring. phenio.json hydroxybenzoic acid|hydroxybenzoic acids http://purl.obolibrary.org/obo/CHEBI_24676 3_STAR
CHEBI:24677 biolink:ChemicalSubstance hydroxybenzophenone Any benzophenone into which is substituted one or more hydroxy groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_24677 3_STAR
CHEBI:24678 biolink:ChemicalSubstance hydroxybenzoyl-CoA Any member of the class of benzoyl-CoAs having hydroxybenzoyl as the aroyl substituent. phenio.json hydroxybenzoyl-CoAs http://purl.obolibrary.org/obo/CHEBI_24678 3_STAR
CHEBI:24679 biolink:ChemicalSubstance hydroxybenzyl alcohol Any member of the class of benzyl alcohols that is a benzyl alcohol substituted by at least one hydroxy group on the benzene ring. phenio.json hydroxybenzyl alcohols http://purl.obolibrary.org/obo/CHEBI_24679 3_STAR
CHEBI:2468 biolink:ChemicalSubstance secondary alpha-hydroxy ketone An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing one hydrogen and one organyl group. Secondary alpha-hydroxy ketones are also known as acyloins, and are formally derived from reductive coupling of two carboxylic acid groups. Wikipedia:Acyloin phenio.json acyloin|acyloins|secondary alpha-hydroxy ketones|secondary alpha-hydroxy-ketone|secondary alpha-hydroxy-ketones|secondary alpha-hydroxyketone|secondary alpha-hydroxyketones http://purl.obolibrary.org/obo/CHEBI_2468 3_STAR
CHEBI:24681 biolink:ChemicalSubstance hydroxybiphenyls Any member of the class of biphenyls that has one or more hydroxy groups attached to the benzenoid ring system. phenio.json hydroxybiphenyls http://purl.obolibrary.org/obo/CHEBI_24681 3_STAR
CHEBI:24684 biolink:ChemicalSubstance hydroxybutyric acid Any compound comprising a butyric acid core carrying at least one hydroxy substituent. phenio.json hydroxybutanoic acid|hydroxybutanoic acids|hydroxybutyric acids http://purl.obolibrary.org/obo/CHEBI_24684 3_STAR
CHEBI:24685 biolink:ChemicalSubstance hydroxybutanoyl-CoA Any member of the class of butanoyl-CoAs having hydroxybutanoyl as the acyl substituent. phenio.json hydroxybutanoyl-CoAs http://purl.obolibrary.org/obo/CHEBI_24685 3_STAR
CHEBI:24688 biolink:ChemicalSubstance monohydroxycinnamic acid phenio.json monohydroxycinnamic acids http://purl.obolibrary.org/obo/CHEBI_24688 3_STAR
CHEBI:24689 biolink:ChemicalSubstance hydroxycinnamic acid Any member of the class of cinnamic acids carrying one or more hydroxy substituents. phenio.json hydroxycinnamic acids http://purl.obolibrary.org/obo/CHEBI_24689 3_STAR
CHEBI:2469 biolink:ChemicalSubstance adefovir A member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens has been replaced by a 2-(6-amino-9H-purin-9-yl)ethoxy group. An inhibitor of HIV-1 reverse transcriptase, the bis(t-butoxycarbonyloxymethyl) ester (dipivoxil ester) prodrug is used to treat chronic hepatitis B viral infection. CAS:106941-25-7|DrugBank:DB00718|KEGG:C11277|KEGG:D02768|PDBeChem:5HG|PMID:10676990|PMID:11796353|PMID:14647052|PMID:14978283|PMID:15866657|PMID:22976988|PMID:24338503|PMID:27079793|PMID:27381944|PMID:27649318|PMID:27664568|PMID:27698751|PMID:27729626|PMID:27746441|PMID:27806120|PMID:27858892|PMID:27880997|PMID:27977591|PMID:28011962|PMID:28079295|PMID:28081595|PMID:28123560|PMID:28322924|PMID:28397817|PMID:28436380|Reaxys:3561094|Wikipedia:Adefovir phenio.json 9-(2-(Phosphonomethoxy)ethyl)adenine|9-(2-Phosphonylmethoxyethyl)adenine|Adefovir|DRG-0156|GS 0393|GS 393|GS-0393|HSDB 8079|N-(2-Phosphonylmethoxyethyl)adenine|PMEA|{[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid http://purl.obolibrary.org/obo/CHEBI_2469 3_STAR
CHEBI:24693 biolink:ChemicalSubstance hydroxycyclohexanone Any member of the class of cyclohexanones carrying one or more hydroxy substituents. phenio.json http://purl.obolibrary.org/obo/CHEBI_24693 3_STAR
CHEBI:24697 biolink:ChemicalSubstance hydroxyflavanone A member of the class of flavanones that consists of flavanone with one or more hydroxy substituents. phenio.json hydroxyflavanone|hydroxyflavanones http://purl.obolibrary.org/obo/CHEBI_24697 3_STAR
CHEBI:24698 biolink:ChemicalSubstance hydroxyflavone Any flavone in which one or more ring hydrogens are replaced by hydroxy groups. phenio.json hydroxyflavones http://purl.obolibrary.org/obo/CHEBI_24698 3_STAR
CHEBI:24709 biolink:ChemicalSubstance hydroxylamines Hydroxylamine, H2N-OH, and its hydrocarbyl derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_24709 3_STAR
CHEBI:24711 biolink:ChemicalSubstance hydroxymalonate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of hydroxymalonic acid. phenio.json hydroxymalonate anion|hydroxymalonic acid anion|tartronate http://purl.obolibrary.org/obo/CHEBI_24711 3_STAR
CHEBI:24712 biolink:ChemicalSubstance hydroxymethyl group phenio.json -CH2-OH|hydroxymethyl|serine side-chain http://purl.obolibrary.org/obo/CHEBI_24712 3_STAR
CHEBI:24727 biolink:ChemicalSubstance hydroxynaphthalene Any member of the class of naphthalenes that is naphthalene carrying one or more hydroxy groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_24727 3_STAR
CHEBI:24729 biolink:ChemicalSubstance 6-hydroxynicotine Beilstein:880718 phenio.json 5-(1-methylpyrrolidin-2-yl)pyridin-2-ol http://purl.obolibrary.org/obo/CHEBI_24729 3_STAR
CHEBI:24730 biolink:ChemicalSubstance hydroxynitrile Any nitrile compound which also contains a hydroxy group. phenio.json http://purl.obolibrary.org/obo/CHEBI_24730 3_STAR
CHEBI:24731 biolink:ChemicalSubstance hydroxyphenylacetaldehyde oxime An aldoxime that is acetaldehyde oxime in which one of the methyl hydrogens has been replaced by a hydroxyphenyl group. phenio.json hydroxyphenylacetaldehyde oximes http://purl.obolibrary.org/obo/CHEBI_24731 3_STAR
CHEBI:24734 biolink:ChemicalSubstance hydroxyphenylalanine phenio.json http://purl.obolibrary.org/obo/CHEBI_24734 1_STAR
CHEBI:24741 biolink:ChemicalSubstance hydroxyproline A proline derivative that is proline substituted by at least one hydroxy group. phenio.json hydroxyprolines http://purl.obolibrary.org/obo/CHEBI_24741 3_STAR
CHEBI:24744 biolink:ChemicalSubstance 2-hydroxypropyl-CoM phenio.json 2-[(2-hydroxypropyl)sulfanyl]ethanesulfonic acid http://purl.obolibrary.org/obo/CHEBI_24744 3_STAR
CHEBI:24745 biolink:ChemicalSubstance hydroxypyridine Any member of the class of pyridines with at least one hydroxy substituent. phenio.json hydroxypyridines http://purl.obolibrary.org/obo/CHEBI_24745 3_STAR
CHEBI:24747 biolink:ChemicalSubstance hydroxyoctadecanoic acid A hydroxy fatty acid that is ocatadecanoic acid (stearic acid) in which the aliphatic chain has been substituted by one or more hydroxy groups. phenio.json hydroxyoctadecanoic acids|hydroxystearic acid|hydroxystearic acids http://purl.obolibrary.org/obo/CHEBI_24747 3_STAR
CHEBI:24751 biolink:ChemicalSubstance hydroxytoluene Any member of the class of toluenes carrying one or more hydroxy substituents. phenio.json hydroxytoluene|hydroxytoluenes http://purl.obolibrary.org/obo/CHEBI_24751 3_STAR
CHEBI:24753 biolink:ChemicalSubstance hygromycin phenio.json hygromycins http://purl.obolibrary.org/obo/CHEBI_24753 3_STAR
CHEBI:24757 biolink:ChemicalSubstance hypochlorous acid A chlorine oxoacid with formula HOCl; a weak, unstable acid, it is the active form of chlorine in water. CAS:7790-92-3|Gmelin:688|PMID:11640916|PMID:12079432|PMID:12215218|PMID:15589368|PMID:7487057|PMID:8072005 phenio.json Chlor(I)-saeure|HClO|HOCl|[ClOH]|chloranol|hydroxidochlorine|hypochloric acid|hypochlorige Saeure|hypochlorous acid http://purl.obolibrary.org/obo/CHEBI_24757 3_STAR
CHEBI:24766 biolink:ChemicalSubstance iditol Beilstein:1721910 phenio.json Idit|iditol|rel-(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol http://purl.obolibrary.org/obo/CHEBI_24766 3_STAR
CHEBI:24768 biolink:ChemicalSubstance iduronates phenio.json http://purl.obolibrary.org/obo/CHEBI_24768 3_STAR
CHEBI:24769 biolink:ChemicalSubstance iduronic acid A member of the class of iduronic acids that is the major uronic acid component of the dermatan sulfate and heparin. HMDB:HMDB0002704|PMID:23441919|PMID:23843960|PMID:24770491|Wikipedia:Iduronic_acid phenio.json http://purl.obolibrary.org/obo/CHEBI_24769 3_STAR
CHEBI:24779 biolink:ChemicalSubstance imidazolylacetaldehyde phenio.json imidazolylacetaldehydes http://purl.obolibrary.org/obo/CHEBI_24779 3_STAR
CHEBI:24780 biolink:ChemicalSubstance imidazoles A five-membered organic heterocycle containing two nitrogen atoms at positions 1 and 3, or any of its derivatives; compounds containing an imidazole skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_24780 3_STAR
CHEBI:24781 biolink:ChemicalSubstance imidazolinone phenio.json imidazolinones http://purl.obolibrary.org/obo/CHEBI_24781 3_STAR
CHEBI:24782 biolink:ChemicalSubstance imide phenio.json imide|imides http://purl.obolibrary.org/obo/CHEBI_24782 3_STAR
CHEBI:24783 biolink:ChemicalSubstance imine Compounds having the structure RN=CR2 (R = H, hydrocarbyl). Thus analogues of aldehydes or ketones, having NR doubly bonded to carbon; aldimines have the structure RCH=NR, ketimines have the structure R'2C=NR (where R' is not H). Imines include azomethines and Schiff bases. Imine is used as a suffix in systematic nomenclature to denote the C=NH group excluding the carbon atom. phenio.json imine|imines http://purl.obolibrary.org/obo/CHEBI_24783 3_STAR
CHEBI:24785 biolink:ChemicalSubstance iminodiacetate A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of iminodiacetic acid. MetaCyc:CPD-10189|PMID:1735711|PMID:8892809|PMID:9023192|Reaxys:3663982|UM-BBD_compID:c0558 phenio.json 2,2'-iminodiacetate|iminodiacetic acid dianion http://purl.obolibrary.org/obo/CHEBI_24785 3_STAR
CHEBI:24786 biolink:ChemicalSubstance iminodiacetic acid An amino dicarboxylic acid that is glycine in which one of the hydrogens attached to the nitrogen is substituted by a carboxymethyl group. CAS:142-73-4|FooDB:FDB028424|HMDB:HMDB0011753|MetaCyc:CPD-10189|PMID:1735711|PMID:21212492|PMID:21488608|PMID:21567989|PMID:8892809|PMID:9023192|Reaxys:878499|UM-BBD_compID:c0558|Wikipedia:Iminodiacetic_acid phenio.json 2,2'-azanediyldiacetic acid|2,2'-iminodiacetic acid|2-[(carboxymethyl)amino]acetic acid|IDA|N-(carboxymethyl)glycine|aminodiacetic acid|bis(carboxymethyl)amine|diglycine|diglycocoll|iminobis(acetic acid)|iminodiacetic acid|iminodiethanoic acid http://purl.obolibrary.org/obo/CHEBI_24786 3_STAR
CHEBI:24789 biolink:ChemicalSubstance indanones phenio.json http://purl.obolibrary.org/obo/CHEBI_24789 1_STAR
CHEBI:2479 biolink:ChemicalSubstance adenosylcobinamide guanosyl diphosphate A cobalt corrinoid consisting of cobinamide guanosyl diphosphate having a 5'-adenosyl group attached to the central cobalt atom. KEGG:C06510|MetaCyc:ADENOSYLCOBINAMIDE-GDP|PMID:10518530|PMID:14645280|PMID:17209023 phenio.json Adenosine-GDP-cobinamide|Adenosylcobinamide-GDP http://purl.obolibrary.org/obo/CHEBI_2479 3_STAR
CHEBI:24793 biolink:ChemicalSubstance indoledione phenio.json http://purl.obolibrary.org/obo/CHEBI_24793 3_STAR
CHEBI:24796 biolink:ChemicalSubstance indolylmethylglucosinolate A glucosinolate that is the conjugate base of indolylmethylglucosinolic acid. phenio.json indole glucosinolates|indolyl glucosinolate|indolylglucosinolate|indolylmethyl glucosinolate|indolylmethylglucosinolate|indolylmethylglucosinolates http://purl.obolibrary.org/obo/CHEBI_24796 3_STAR
CHEBI:24797 biolink:ChemicalSubstance indole phytoalexin phenio.json indole phytoalexins http://purl.obolibrary.org/obo/CHEBI_24797 3_STAR
CHEBI:2480 biolink:ChemicalSubstance adenosylcobinamide A cobalt-corrinoid hexaamide comprising cobinamide having an adenosyl group attached to cobalt. Beilstein:9471192|KEGG:C06508 phenio.json 5'-deoxy-5'-adenosylcobinamide|Adenosyl cobinamide|adenosylcob(III)inamide http://purl.obolibrary.org/obo/CHEBI_2480 3_STAR
CHEBI:24803 biolink:ChemicalSubstance indole-3-acetic acids An indol-3-yl carboxylic acid in which the carboxylic acid specified is acetic acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_24803 3_STAR
CHEBI:24809 biolink:ChemicalSubstance indole-3-carboxylic acid An indole-3-carboxylic acid carrying a carboxy group at position 3. CAS:771-50-6|Gmelin:1875411|HMDB:HMDB0003320|PDBeChem:ICO|PMID:1262308|PMID:13905029|PMID:16664264|PMID:23116603|PMID:4844607|Reaxys:129435 phenio.json 1H-indole-3-carboxylic acid|indole-3-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_24809 3_STAR
CHEBI:2481 biolink:ChemicalSubstance adenosylcobinamide phosphate An O-phosphocorrinoid that is cobinamide phosphate having a 5'-adenosyl group attached to the central cobalt atom. KEGG:C06509 phenio.json Adenosyl cobinamide phosphate http://purl.obolibrary.org/obo/CHEBI_2481 3_STAR
CHEBI:24810 biolink:ChemicalSubstance indol-3-yl carboxylic acid Any indolyl carboxylic acid carrying an indol-3-yl or substituted indol-3-yl group. phenio.json indol-3-yl carboxylic acids http://purl.obolibrary.org/obo/CHEBI_24810 3_STAR
CHEBI:24813 biolink:ChemicalSubstance 3-(indol-3-yl)lactic acid A hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan. CAS:1821-52-9|HMDB:HMDB0000671|KEGG:C02043|MetaCyc:INDOLE_LACTATE|PMID:16347781|PMID:20540569|PMID:21749142|PMID:22372405|PMID:23111785|PMID:2361979|PMID:23924721|PMID:533277|Reaxys:86202 phenio.json 2-hydroxy-3-(1H-indol-3-yl)propanoic acid|3-(Indol-3-yl)lactic acid|alpha-Hydroxy-1H-indole-3-propanoic acid|indole-3-lactic acid http://purl.obolibrary.org/obo/CHEBI_24813 3_STAR
CHEBI:24814 biolink:ChemicalSubstance indole-3-methanol An indolyl alcohol carrying a hydroxymethyl group at position 3. It is a constituent of the cruciferous vegetables and had anticancer activity. CAS:700-06-1|Gmelin:1603301|HMDB:HMDB0005785|LINCS:LSM-2011|PMID:11755234|PMID:16634522|PMID:19064917|PMID:23800833|PMID:24200994|PMID:24357105|PMID:24488207|Reaxys:121323|Wikipedia:Indole-3-carbinol phenio.json 1H-indol-3-ylmethanol|3-hydroxymethylindole|3-indolylcarbinol|indole-3-carbinol|indole-3-methanol http://purl.obolibrary.org/obo/CHEBI_24814 3_STAR
CHEBI:2482 biolink:ChemicalSubstance adenosylcob(III)yrinic acid a,c-diamide A cobalt corrinoid that is cob(III)yrinic acid a,c-diamide having a 5'-adenosyl group attached to the central cobalt atom. KEGG:C06506 phenio.json Adenosyl cobyrinate a,c diamide|Adenosyl cobyrinate diamide|Adenosylcob(III)yrinic acid a,c-diamide|Adenosylcobyrinic acid a,c-diamide http://purl.obolibrary.org/obo/CHEBI_2482 3_STAR
CHEBI:24821 biolink:ChemicalSubstance indolyl carbohydrate phenio.json indolyl carbohydrates http://purl.obolibrary.org/obo/CHEBI_24821 3_STAR
CHEBI:24823 biolink:ChemicalSubstance indoleacetaldehyde An aldehyde that is acetaldehyde substituted by an indolyl group. phenio.json indoleacetaldehydes http://purl.obolibrary.org/obo/CHEBI_24823 3_STAR
CHEBI:24828 biolink:ChemicalSubstance indoles Any compound containing an indole skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_24828 3_STAR
CHEBI:24829 biolink:ChemicalSubstance indolones phenio.json http://purl.obolibrary.org/obo/CHEBI_24829 3_STAR
CHEBI:2483 biolink:ChemicalSubstance adenosylcobyric acid A cobalt corrinoid that is cobyric acid having a 5'-adenosyl group attached to the central cobalt atom. KEGG:C06507 phenio.json 5'-deoxy-5'-adenosylcobyric acid|Adenosyl cobyrinate hexaamide|Adenosylcobyric acid http://purl.obolibrary.org/obo/CHEBI_2483 3_STAR
CHEBI:24833 biolink:ChemicalSubstance oxoacid A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). phenio.json oxacids|oxiacids|oxo acid|oxoacid|oxoacids|oxy-acids|oxyacids http://purl.obolibrary.org/obo/CHEBI_24833 3_STAR
CHEBI:24834 biolink:ChemicalSubstance inorganic anion phenio.json inorganic anions http://purl.obolibrary.org/obo/CHEBI_24834 3_STAR
CHEBI:24835 biolink:ChemicalSubstance inorganic molecular entity A molecular entity that contains no carbon. phenio.json anorganische Verbindungen|inorganic compounds|inorganic entity|inorganic molecular entities|inorganics http://purl.obolibrary.org/obo/CHEBI_24835 3_STAR
CHEBI:24836 biolink:ChemicalSubstance inorganic oxide phenio.json inorganic oxides http://purl.obolibrary.org/obo/CHEBI_24836 3_STAR
CHEBI:24837 biolink:ChemicalSubstance inorganic peroxide Compounds of structure ROOR' in which R and R' are inorganic groups. phenio.json inorganic peroxide|inorganic peroxides http://purl.obolibrary.org/obo/CHEBI_24837 3_STAR
CHEBI:24838 biolink:ChemicalSubstance inorganic phosphate Any phosphate that contains no carbon atom. phenio.json inorganic phosphates http://purl.obolibrary.org/obo/CHEBI_24838 3_STAR
CHEBI:24839 biolink:ChemicalSubstance inorganic salt phenio.json anorganisches Salz|inorganic salts http://purl.obolibrary.org/obo/CHEBI_24839 3_STAR
CHEBI:24840 biolink:ChemicalSubstance inorganic sulfate salt phenio.json inorganic sulfate salts|inorganic sulfates http://purl.obolibrary.org/obo/CHEBI_24840 3_STAR
CHEBI:24843 biolink:ChemicalSubstance inosine phosphate phenio.json inosine phosphates http://purl.obolibrary.org/obo/CHEBI_24843 3_STAR
CHEBI:24844 biolink:ChemicalSubstance inosines Any purine ribonucleoside that is a derivative of inosine. phenio.json http://purl.obolibrary.org/obo/CHEBI_24844 3_STAR
CHEBI:24846 biolink:ChemicalSubstance inositol phosphate phenio.json inositol phosphates http://purl.obolibrary.org/obo/CHEBI_24846 3_STAR
CHEBI:24848 biolink:ChemicalSubstance inositol Any cyclohexane-1,2,3,4,5,6-hexol. phenio.json 1,2,3,4,5,6-cyclohexanehexol|inositol|inositols http://purl.obolibrary.org/obo/CHEBI_24848 3_STAR
CHEBI:2485 biolink:ChemicalSubstance adenylyl selenate The 5'-selenonooxyphosphate ester of adenosine. HMDB:HMDB0004112|PMID:2545107 phenio.json 5'-O-[hydroxy(selenonooxy)phosphoryl]adenosine|5'-adenylyl selenate|Adenosine-5'-phosphoselenate|Adenylylselenate http://purl.obolibrary.org/obo/CHEBI_2485 3_STAR
CHEBI:24850 biolink:ChemicalSubstance insect attractant A chemical that attracts insects. PMID:7044287 phenio.json insect attractants http://purl.obolibrary.org/obo/CHEBI_24850 3_STAR
CHEBI:24851 biolink:ChemicalSubstance insect growth regulator A growth regulator that inhibits the life cycle of an insect. phenio.json insect growth regulators http://purl.obolibrary.org/obo/CHEBI_24851 3_STAR
CHEBI:24852 biolink:ChemicalSubstance insecticide Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. Wikipedia:Insecticide phenio.json insecticides http://purl.obolibrary.org/obo/CHEBI_24852 3_STAR
CHEBI:24853 biolink:ChemicalSubstance intercalator A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages. phenio.json agente intercalante|intercalating agent|intercalating agents|intercalating ligands|intercalators http://purl.obolibrary.org/obo/CHEBI_24853 3_STAR
CHEBI:24858 biolink:ChemicalSubstance iodide salt phenio.json iodide salts|iodides http://purl.obolibrary.org/obo/CHEBI_24858 3_STAR
CHEBI:24859 biolink:ChemicalSubstance iodine atom Chemical element with atomic number 53. WebElements:I phenio.json 53I|I|Iod|J|Jod|iode|iodine|iodium|yodo http://purl.obolibrary.org/obo/CHEBI_24859 3_STAR
CHEBI:24860 biolink:ChemicalSubstance iodine molecular entity phenio.json iodine compounds|iodine molecular entities|iodine molecular entity http://purl.obolibrary.org/obo/CHEBI_24860 3_STAR
CHEBI:24862 biolink:ChemicalSubstance iodoamino acid An amino acid containing at least one iodo substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_24862 3_STAR
CHEBI:24863 biolink:ChemicalSubstance iodophenol phenio.json iodophenol http://purl.obolibrary.org/obo/CHEBI_24863 3_STAR
CHEBI:24864 biolink:ChemicalSubstance iodothyronine An iodoamino acid in which the amino acid specified is thyronine. phenio.json iodothyronines http://purl.obolibrary.org/obo/CHEBI_24864 3_STAR
CHEBI:24865 biolink:ChemicalSubstance iodotyrosine A tyrosine derivative which has at least one iodo-substituent on the benzyl moiety. phenio.json http://purl.obolibrary.org/obo/CHEBI_24865 3_STAR
CHEBI:24866 biolink:ChemicalSubstance salt A salt is an assembly of cations and anions. phenio.json Salz|Salze|ionic compound|ionic compounds|sal|sales|salt|salts|sel|sels http://purl.obolibrary.org/obo/CHEBI_24866 3_STAR
CHEBI:24867 biolink:ChemicalSubstance monoatomic ion phenio.json monoatomic ions http://purl.obolibrary.org/obo/CHEBI_24867 3_STAR
CHEBI:24868 biolink:ChemicalSubstance organic salt phenio.json organic salts|organisches Salz http://purl.obolibrary.org/obo/CHEBI_24868 3_STAR
CHEBI:24869 biolink:ChemicalSubstance ionophore A compound which can carry specific ions through membranes of cells or organelles. Wikipedia:Ionophore phenio.json ionophore|ionophores http://purl.obolibrary.org/obo/CHEBI_24869 3_STAR
CHEBI:24870 biolink:ChemicalSubstance ion A molecular entity having a net electric charge. phenio.json Ion|Ionen|ion|iones|ions http://purl.obolibrary.org/obo/CHEBI_24870 3_STAR
CHEBI:24873 biolink:ChemicalSubstance iron molecular entity phenio.json iron compounds|iron molecular entities|iron molecular entity http://purl.obolibrary.org/obo/CHEBI_24873 3_STAR
CHEBI:24874 biolink:ChemicalSubstance iron ionophore Any ionophore capable of transportation of iron ions across membranes. phenio.json iron ionophores http://purl.obolibrary.org/obo/CHEBI_24874 3_STAR
CHEBI:24875 biolink:ChemicalSubstance iron cation phenio.json Fe cation|iron cation|iron cations http://purl.obolibrary.org/obo/CHEBI_24875 3_STAR
CHEBI:24897 biolink:ChemicalSubstance isoindoles phenio.json http://purl.obolibrary.org/obo/CHEBI_24897 3_STAR
CHEBI:24898 biolink:ChemicalSubstance isoleucine A 2-amino-3-methylpentanoic acid having either (2R,3R)- or (2S,3S)-configuration. CAS:443-79-8|PMID:17190852|Reaxys:1721790 phenio.json Hile|isoleucine|rel-(2R,3R)-2-amino-3-methylpentanoic acid http://purl.obolibrary.org/obo/CHEBI_24898 3_STAR
CHEBI:24899 biolink:ChemicalSubstance isoleucine derivative An amino acid derivative resulting from reaction of isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of isoleucine by a heteroatom. The definition normally excludes peptides containing isoleucine residues. phenio.json isoleucine derivatives http://purl.obolibrary.org/obo/CHEBI_24899 3_STAR
CHEBI:2490 biolink:ChemicalSubstance 6-oxohexanoic acid A medium-chain fatty acid comprising hexanoic acid carrying an oxo group at position 6. CAS:928-81-4|KEGG:C06102|Reaxys:1752422 phenio.json 1-hexanal-6-carboxylic acid|5-carbohydroxy-1-pentanal|5-formylvaleric acid|6-Oxohexanoic acid|6-hydroxy caproic acid|6-oxohexanoic acid|adipic acid monoaldehyde|adipic acid semialdehyde|adipic monoaldehyde|adipic semialdehyde http://purl.obolibrary.org/obo/CHEBI_2490 3_STAR
CHEBI:24909 biolink:ChemicalSubstance hydrocarbyladenosine phenio.json http://purl.obolibrary.org/obo/CHEBI_24909 1_STAR
CHEBI:24911 biolink:ChemicalSubstance isopiperitenol Beilstein:2207765 phenio.json 3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol|p-mentha-1,8-dien-3-ol http://purl.obolibrary.org/obo/CHEBI_24911 3_STAR
CHEBI:24913 biolink:ChemicalSubstance isoprenoid Any lipid formally derived from isoprene (2-methylbuta-1,3-diene), the skeleton of which can generally be discerned in repeated occurrence in the molecule. The skeleton of isoprenoids may differ from strict additivity of isoprene units by loss or shift of a fragment, commonly a methyl group. The class includes both hydrocarbons and oxygenated derivatives. LIPID_MAPS_class:LMPR01|PMID:12769708|PMID:19219049 phenio.json isoprenoid|isoprenoids http://purl.obolibrary.org/obo/CHEBI_24913 3_STAR
CHEBI:24921 biolink:ChemicalSubstance isoquinoline alkaloid Any alkaloid that has a structure based on an isoquinoline nucleus. They are derived from the amino acids like tyrosine and phenylalanine. phenio.json isoquinoline alkaloids http://purl.obolibrary.org/obo/CHEBI_24921 3_STAR
CHEBI:24922 biolink:ChemicalSubstance isoquinolines A class of organic heteropolycyclic compound consisting of isoquinoline and its substitution derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_24922 3_STAR
CHEBI:24923 biolink:ChemicalSubstance isoquinolinol phenio.json isoquinolinols http://purl.obolibrary.org/obo/CHEBI_24923 3_STAR
CHEBI:24928 biolink:ChemicalSubstance isothiocyanic acid Beilstein:1900391|CAS:3129-90-6|Gmelin:130289 phenio.json HNCS|Isothiocyansaeure|Isothiozyansaeure|[C(NH)S]|azanediidosulfidocarbon|imidosulfidocarbon|isothiocyanic acid http://purl.obolibrary.org/obo/CHEBI_24928 3_STAR
CHEBI:24937 biolink:ChemicalSubstance jasmonates The jasmonates (JAs) are a group of plant hormones which help regulate plant growth and development. Wikipedia:Jasmonate phenio.json http://purl.obolibrary.org/obo/CHEBI_24937 3_STAR
CHEBI:24942 biolink:ChemicalSubstance juvenile hormone mimic phenio.json http://purl.obolibrary.org/obo/CHEBI_24942 1_STAR
CHEBI:24943 biolink:ChemicalSubstance juvenile hormone A family of farnesane sesquiterpenoids that regulate many aspects of insect physiology. Wikipedia:Juvenile_hormone phenio.json http://purl.obolibrary.org/obo/CHEBI_24943 3_STAR
CHEBI:2495 biolink:ChemicalSubstance adrenosterone A 3-oxo Delta(4)-steroid that is androst-4-ene carrying three oxo-substituents at positions 3, 11 and 17. CAS:382-45-6|HMDB:HMDB0006772|KEGG:C05285|MetaCyc:CPD-18926|PMID:10469997|PMID:12434991|PMID:12460593|PMID:13061495|PMID:13414169|PMID:14288792|PMID:14297229|PMID:14308712|PMID:16216911|PMID:17360211|PMID:17889091|PMID:20355175|PMID:2295425|PMID:22987608|PMID:23685396|PMID:25435279|PMID:25917864|PMID:26478560|PMID:26865584|PMID:27154751|PMID:27889993|PMID:27901631|PMID:28234803|PMID:28472487|PMID:4243440|PMID:5215809|PMID:5764541|PMID:5870893|PMID:6057562|PMID:7927284|PMID:955389|Reaxys:3036825 phenio.json 11-Keto-androstenedione|11-OXO|11-Oxy-4-androstenedione|11-ketoandrostenedione|11-oxoandrost-4-ene-3,17-dione|11-oxoandrostenedione|4-Androsten-3,11,17-trione|Andrenosterone|NSC 12166|Reichstein's substance G|androst-4-ene-3,11,17-trione http://purl.obolibrary.org/obo/CHEBI_2495 3_STAR
CHEBI:24951 biolink:ChemicalSubstance kanamycins phenio.json http://purl.obolibrary.org/obo/CHEBI_24951 3_STAR
CHEBI:24957 biolink:ChemicalSubstance keto-disaccharide Any disaccharide that contains a keto group within its structure. PMID:26786171 phenio.json keto-disaccharides http://purl.obolibrary.org/obo/CHEBI_24957 3_STAR
CHEBI:24960 biolink:ChemicalSubstance ketoaldehyde Any compound that has an aldehydic and ketonic group in the same molecule. KEGG:C01928 phenio.json ketoaldehydes http://purl.obolibrary.org/obo/CHEBI_24960 3_STAR
CHEBI:24961 biolink:ChemicalSubstance ketoaldonate phenio.json ketoaldonate|ketoaldonates http://purl.obolibrary.org/obo/CHEBI_24961 3_STAR
CHEBI:24962 biolink:ChemicalSubstance ketoaldonic acid phosphate phenio.json ketoaldonic acid phosphates http://purl.obolibrary.org/obo/CHEBI_24962 3_STAR
CHEBI:24963 biolink:ChemicalSubstance ketoaldonic acid Oxo carboxylic acids formally derived from aldonic acids by replacement of a secondary CHOH group by a carbonyl group. phenio.json ketoaldonic acid|ketoaldonic acids http://purl.obolibrary.org/obo/CHEBI_24963 3_STAR
CHEBI:24964 biolink:ChemicalSubstance deoxyketohexose phosphate phenio.json deoxyketohexose phosphates|ketodeoxyhexose phosphate http://purl.obolibrary.org/obo/CHEBI_24964 3_STAR
CHEBI:24965 biolink:ChemicalSubstance deoxyketohexose Any ketohexose having at least one hydroxy group replaced by hydrogen. phenio.json deoxyketohexose|deoxyketohexoses|ketodeoxyhexose|ketodeoxyhexoses http://purl.obolibrary.org/obo/CHEBI_24965 3_STAR
CHEBI:24966 biolink:ChemicalSubstance keto-D-gluconate A ketogluconate of D-configuration phenio.json dehydro-D-gluconate|dehydro-D-gluconates http://purl.obolibrary.org/obo/CHEBI_24966 3_STAR
CHEBI:24967 biolink:ChemicalSubstance ketogluconic acid A gluconic acid that contains a ketonic carbonyl group. phenio.json ketogluconic acids http://purl.obolibrary.org/obo/CHEBI_24967 3_STAR
CHEBI:24970 biolink:ChemicalSubstance ketohexose bisphosphate phenio.json ketohexose bisphosphate|ketohexose bisphosphates http://purl.obolibrary.org/obo/CHEBI_24970 3_STAR
CHEBI:24971 biolink:ChemicalSubstance ketohexose monophosphate phenio.json ketohexose monophosphate|ketohexose monophosphates http://purl.obolibrary.org/obo/CHEBI_24971 3_STAR
CHEBI:24972 biolink:ChemicalSubstance ketohexose phosphate phenio.json ketohexose phosphate|ketohexose phosphates http://purl.obolibrary.org/obo/CHEBI_24972 3_STAR
CHEBI:24973 biolink:ChemicalSubstance ketohexose Any hexose containing a single ketone group. phenio.json ketohexose|ketohexoses http://purl.obolibrary.org/obo/CHEBI_24973 3_STAR
CHEBI:24976 biolink:ChemicalSubstance ketopentose phosphate phenio.json ketopentose phosphate|ketopentose phosphates http://purl.obolibrary.org/obo/CHEBI_24976 3_STAR
CHEBI:24977 biolink:ChemicalSubstance ketopentose A pentose having a single ketone group at the 2-position. phenio.json ketopentose|ketopentoses http://purl.obolibrary.org/obo/CHEBI_24977 3_STAR
CHEBI:24978 biolink:ChemicalSubstance ketose Ketonic parent sugars (polyhydroxy ketones H[CH(OH)]nC(=O)[CH(OH)]mH) and their intramolecular hemiketals. phenio.json ketose|ketoses http://purl.obolibrary.org/obo/CHEBI_24978 3_STAR
CHEBI:24980 biolink:ChemicalSubstance ketotetrose phosphate phenio.json ketotetrose phosphate|ketotetrose phosphates http://purl.obolibrary.org/obo/CHEBI_24980 3_STAR
CHEBI:24981 biolink:ChemicalSubstance ketotetrose A tetrose having a single ketone group at the 2-position. phenio.json ketotetrose|ketotetroses http://purl.obolibrary.org/obo/CHEBI_24981 3_STAR
CHEBI:24982 biolink:ChemicalSubstance ketotriose Any ketone-containing triose. phenio.json ketotriose|ketotrioses http://purl.obolibrary.org/obo/CHEBI_24982 3_STAR
CHEBI:24983 biolink:ChemicalSubstance ketoxime Oximes of ketones R2C=NOH (where R =/= H). phenio.json ketoxime|ketoximes http://purl.obolibrary.org/obo/CHEBI_24983 3_STAR
CHEBI:24995 biolink:ChemicalSubstance lactam Cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. phenio.json Laktam|Laktame|lactam|lactams http://purl.obolibrary.org/obo/CHEBI_24995 3_STAR
CHEBI:24996 biolink:ChemicalSubstance lactate A hydroxy monocarboxylic acid anion that is the conjugate base of lactic acid, arising from deprotonation of the carboxy group. Beilstein:3587719|CAS:113-21-3|Gmelin:240074|KEGG:C01432|MetaCyc:Lactate phenio.json 2-hydroxypropanoate|2-hydroxypropanoic acid, ion(1-)|2-hydroxypropionate|MeCH(OH)CO2 anion|b-lactate|beta-lactate|lactate http://purl.obolibrary.org/obo/CHEBI_24996 3_STAR
CHEBI:24997 biolink:ChemicalSubstance lactate salt Any organic salt that has lactate as the cation. phenio.json 2-hydroxypropanoate salt|2-hydroxypropanoate salts|2-hydroxypropionate salt|2-hydroxypropionate salts|lactate salts|lactates http://purl.obolibrary.org/obo/CHEBI_24997 3_STAR
CHEBI:2500 biolink:ChemicalSubstance Aescin CAS:6805-41-0|KEGG:C08921|KEGG:D07912|KNApSAcK:C00003497 phenio.json Aescin|Escin http://purl.obolibrary.org/obo/CHEBI_2500 2_STAR
CHEBI:25000 biolink:ChemicalSubstance lactone Any cyclic carboxylic ester containing a 1-oxacycloalkan-2-one structure, or an analogue having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. phenio.json Lacton|Lakton|Laktone|lactona|lactonas|lactone|lactones http://purl.obolibrary.org/obo/CHEBI_25000 3_STAR
CHEBI:25002 biolink:ChemicalSubstance lactosamines phenio.json http://purl.obolibrary.org/obo/CHEBI_25002 1_STAR
CHEBI:25013 biolink:ChemicalSubstance lanthionine An alanine derivative in which two alanine residues are linked on their beta-carbons by a thioether linkage. PMID:15716431|Wikipedia:Lanthionine phenio.json http://purl.obolibrary.org/obo/CHEBI_25013 3_STAR
CHEBI:25016 biolink:ChemicalSubstance lead atom KEGG:C06696|WebElements:Pb phenio.json 82Pb|Blei|Pb|lead|plomb|plomo|plumbum http://purl.obolibrary.org/obo/CHEBI_25016 3_STAR
CHEBI:25017 biolink:ChemicalSubstance leucine A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isobutyl group. CAS:328-39-2|Gmelin:50203|KEGG:C16439|LIPID_MAPS_instance:LMFA01100048|PMID:17439666|Reaxys:636005|Wikipedia:Leucine phenio.json (+-)-Leucine|(RS)-Leucine|2-amino-4-methylpentanoic acid|DL-Leucine|Hleu|L|Leu|Leucin|Leuzin|leucine http://purl.obolibrary.org/obo/CHEBI_25017 3_STAR
CHEBI:25018 biolink:ChemicalSubstance L-leucine derivative A proteinogenic amino acid derivative resulting from reaction of L-leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-leucine by a heteroatom. phenio.json http://purl.obolibrary.org/obo/CHEBI_25018 3_STAR
CHEBI:25022 biolink:ChemicalSubstance leucomycin phenio.json http://purl.obolibrary.org/obo/CHEBI_25022 1_STAR
CHEBI:25029 biolink:ChemicalSubstance leukotriene Any icosanoid from that family of C20 polyunsaturated fatty acids and their derivatives generated by leukocytes from arachidonic acid, each member having four double bonds of which three are conjugated. LIPID_MAPS_class:LMFA0302|PMID:10922142|PMID:15794321|PMID:3001504|PMID:6129158|PMID:6293196|PMID:6311078|PMID:8842590|PMID:9526099|PMID:9561094 phenio.json Leukotrien|Leukotriene|leucotriene|leucotrienes|leukotriene|leukotrienes http://purl.obolibrary.org/obo/CHEBI_25029 3_STAR
CHEBI:25036 biolink:ChemicalSubstance lignan Any phenylpropanoid derived from phenylalanine via dimerization of substituted cinnamic alcohols, known as monolignols, to a dibenzylbutane skeleton. Note that while individual members of the class have names ending ...lignane, ...lignene, ...lignadiene, etc., the class names lignan, neolignan, etc., do not end with an "e". phenio.json lignan|lignans http://purl.obolibrary.org/obo/CHEBI_25036 3_STAR
CHEBI:2504 biolink:ChemicalSubstance aflatoxin B1 An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11. CAS:1162-65-8|KEGG:C06800|KNApSAcK:C00000546 phenio.json (6aR,9aS)-4-methoxy-2,3,6a,9a-tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene-1,11-dione|2,3,6aalpha,9aalpha-Tetrahydro-4-methoxycyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-1,11-dione|Aflatoxin B1|aflatoxin B1 http://purl.obolibrary.org/obo/CHEBI_2504 3_STAR
CHEBI:25040 biolink:ChemicalSubstance limonene monoterpenoid phenio.json limonene monoterpenoids http://purl.obolibrary.org/obo/CHEBI_25040 3_STAR
CHEBI:25046 biolink:ChemicalSubstance linear tetrapyrrole phenio.json http://purl.obolibrary.org/obo/CHEBI_25046 1_STAR
CHEBI:25048 biolink:ChemicalSubstance linolenic acid A two-membered subclass of octadecatrienoic acid comprising the (9Z,12Z,15Z)- and (6Z,9Z,12Z)-isomers. Linolenic acids are nutrients essential to the formation of prostaglandins and are also used in making paints and synthetic resins. phenio.json C18:3|Linolensaeure|linolenic acids http://purl.obolibrary.org/obo/CHEBI_25048 3_STAR
CHEBI:2505 biolink:ChemicalSubstance 8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1 A member of the class of aflatoxins that is 8,9-dihydro-9-hydroxyaflatoxin B1 having an S-glutathionyl moiety attached at position 8. CAS:68385-50-2|HMDB:HMDB0060431|KEGG:C11278|LIPID_MAPS_instance:LMPK10000005|PMID:3933841|PMID:6411367 phenio.json 8,9-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1|Afb(1)-gsh|Afb1-gsh conjugate|Aflatoxin B1exo-8,9-epoxide-GSH|L-gamma-glutamyl-S-{(6aS,8S,9R,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl}-L-cysteinylglycine|aflatoxin B1 exo-8,9-epoxide-GSH http://purl.obolibrary.org/obo/CHEBI_2505 3_STAR
CHEBI:25051 biolink:ChemicalSubstance lipid As Glycophospholipids that are the components of endotoxins held responsible for the toxicity of Gram-negative bacteria. Lipid A is the innermost of the three regions of the lipopolysaccharide (LPS) molecule, and its hydrophobic nature allows it to anchor the LPS to the outer membrane. Four acyl chains attached directly to two (1->6)-linked glucosamine sugars are beta-hydroxy acyl chains usually between 10 and 16 carbons in length. Two additional acyl chains are often attached to the beta-hydroxy group. phenio.json lipid A http://purl.obolibrary.org/obo/CHEBI_25051 3_STAR
CHEBI:25061 biolink:ChemicalSubstance lipopeptide antibiotic phenio.json http://purl.obolibrary.org/obo/CHEBI_25061 1_STAR
CHEBI:25072 biolink:ChemicalSubstance lombricine A serine derivative that is serine in which the hydrogen of the hydroxy group has been replaced by a (2-carbamimidamidoethoxy)(hydroxy)phosphoryl group. PMID:13632801|PMID:14439305|PMID:1909513|PMID:22705027|Reaxys:1729503 phenio.json O-[(2-carbamimidamidoethoxy)(hydroxy)phosphoryl]serine http://purl.obolibrary.org/obo/CHEBI_25072 3_STAR
CHEBI:25078 biolink:ChemicalSubstance luciferin A low-molecular-mass compound present in bioluminescent organisms that emits light when oxidized in presence of enzyme luciferase. phenio.json http://purl.obolibrary.org/obo/CHEBI_25078 3_STAR
CHEBI:25091 biolink:ChemicalSubstance luteolin O-glucuronoside A glycosyloxyflavone that is an O-glucuronidated derivative of luteolin. phenio.json luteolin glucosiduronic acid|luteolin glucosiduronic acids|luteolin glucuronoside|luteolin glucuronosides http://purl.obolibrary.org/obo/CHEBI_25091 3_STAR
CHEBI:25094 biolink:ChemicalSubstance lysine A diamino acid that is caproic (hexanoic) acid bearing two amino substituents at positions 2 and 6. CAS:70-54-2|Gmelin:279284|KEGG:C16440|PMID:17439666|PMID:22264337|Reaxys:1616991|Wikipedia:Lysine phenio.json 2,6-diaminohexanoic acid|K|LYS|Lysin|alpha,epsilon-diaminocaproic acid|lysine http://purl.obolibrary.org/obo/CHEBI_25094 3_STAR
CHEBI:25095 biolink:ChemicalSubstance L-lysine derivative A proteinogenic amino acid derivative resulting from reaction of L-lysine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-lysine by a heteroatom. phenio.json L-lysine derivatives http://purl.obolibrary.org/obo/CHEBI_25095 3_STAR
CHEBI:25097 biolink:ChemicalSubstance lyxose An aldopentose that occurs only rarely in nature. CAS:65-42-9|PMID:23353634 phenio.json (+-)-Lyxose|Lyx|dl-Lyxose|lyxo-pentose|lyxose http://purl.obolibrary.org/obo/CHEBI_25097 3_STAR
CHEBI:25105 biolink:ChemicalSubstance macrolide antibiotic A macrocyclic lactone with a ring of twelve or more members which exhibits antibiotic activity. phenio.json Makrolidantibiotika|macrolide antibiotics http://purl.obolibrary.org/obo/CHEBI_25105 3_STAR
CHEBI:25106 biolink:ChemicalSubstance macrolide A macrocyclic lactone with a ring of twelve or more members derived from a polyketide. Wikipedia:Macrolide phenio.json Makrolid|macrolide|macrolides http://purl.obolibrary.org/obo/CHEBI_25106 3_STAR
CHEBI:25107 biolink:ChemicalSubstance magnesium atom CAS:7439-95-4|DrugBank:DB01378|Gmelin:16207|KEGG:C00305|WebElements:Mg phenio.json 12Mg|Magnesium|Mg|magnesio|magnesium http://purl.obolibrary.org/obo/CHEBI_25107 3_STAR
CHEBI:25108 biolink:ChemicalSubstance magnesium molecular entity phenio.json magnesium compounds|magnesium molecular entities|magnesium molecular entity http://purl.obolibrary.org/obo/CHEBI_25108 3_STAR
CHEBI:25111 biolink:ChemicalSubstance magnesium porphyrin phenio.json magnesium porphyrins http://purl.obolibrary.org/obo/CHEBI_25111 3_STAR
CHEBI:25115 biolink:ChemicalSubstance malate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of malic acid. phenio.json malate anion|malates|malic acid anion http://purl.obolibrary.org/obo/CHEBI_25115 3_STAR
CHEBI:2512 biolink:ChemicalSubstance agathisflavone A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-6 and C-8 of the two chromene rings. CAS:28441-98-7|KEGG:C10017|KNApSAcK:C00001014|PMID:1484886|PMID:21106357|PMID:21281018|PMID:21594945|Patent:US2002068757|Patent:WO9700679|Reaxys:1415839 phenio.json 5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-(6,8'-bi-4H-1-benzopyran)-4,4'-dione|5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-6,8'-bichromene-4,4'-dione|6,8''-Biapigenin|Agathisflavone http://purl.obolibrary.org/obo/CHEBI_2512 3_STAR
CHEBI:25136 biolink:ChemicalSubstance malonyl-CoAs Any short-chain fatty acyl-CoA in which the the fatty acid specified is malonic acid or its derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_25136 3_STAR
CHEBI:25140 biolink:ChemicalSubstance maltodextrin A dextrin in which the D-glucose units are linked by alpha-(1->4) glycosidic bonds. Wikipedia:Maltodextrin phenio.json http://purl.obolibrary.org/obo/CHEBI_25140 3_STAR
CHEBI:251408 biolink:ChemicalSubstance edrophonium A quaternary ammonium ion that is N-ethyl-N,N-dimethylanilinium in which one of the meta positions is substituted by a hydroxy group. It is a reversible inhibitor of cholinesterase, with a rapid onset (30-60 seconds after injection) but a short duration of action (5-15 minutes). The chloride salt is used in myasthenia gravis both diagnostically and to distinguish between under- or over-treatment with other anticholinesterases. It has also been used for the reversal of neuromuscular blockade in anaesthesia, and for the management of poisoning due to tetrodotoxin, a neuromuscular blocking toxin found in puffer fish and other marine animals. Beilstein:3905622|CAS:312-48-1|DrugBank:DB01010|Drug_Central:988|KEGG:C06976|LINCS:LSM-5867|PDBeChem:EDR|PMID:7488499 phenio.json (3-hydroxyphenyl)dimethylethylammonium|3-hydroxy-N,N-dimethyl-N-ethylanilinium|EDROPHONIUM|EDROPHONIUM ION|Edrophonium|Ethyl-(3-hydroxy-phenyl)-dimethyl-ammonium|N-ethyl-3-hydroxy-N,N-dimethylanilinium|N-ethyl-3-hydroxy-N,N-dimethylbenzenaminium|edrophonium http://purl.obolibrary.org/obo/CHEBI_251408 3_STAR
CHEBI:251412 biolink:ChemicalSubstance adinazolam A triazolo[4,3-a][1,4]benzodiazepine having a dimethylaminomethyl group at the 1-position, a phenyl group at the 6-position and a chloro substituent at the 8-position. Beilstein:577108|CAS:37115-32-5|DrugBank:DB00546|Drug_Central:93|KEGG:D02770|Patent:DE2201210|Patent:GB1393256|Patent:US4250094 phenio.json 1-(8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl)-N,N-dimethylmethanamine|8-Chloro-1-((dimethylamino)methyl)-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine|adinazolam|adinazolamum http://purl.obolibrary.org/obo/CHEBI_251412 3_STAR
CHEBI:25143 biolink:ChemicalSubstance maltose phosphate phenio.json maltose phosphates http://purl.obolibrary.org/obo/CHEBI_25143 3_STAR
CHEBI:25147 biolink:ChemicalSubstance mandelate Beilstein:3905858|Beilstein:4135334|CAS:769-61-9|Gmelin:328159 phenio.json 2-hydroxy-2-(4-hydroxyphenyl)acetate|alpha-hydroxybenzeneacetate|alpha-hydroxybenzeneacetic acid, ion(1-)|hydroxy(phenyl)acetate|mandelate|mandelate ion http://purl.obolibrary.org/obo/CHEBI_25147 3_STAR
CHEBI:25150 biolink:ChemicalSubstance prunasin Beilstein:9142960|CAS:138-53-4|PMID:30027801|PMID:30445872|PMID:32618500|PMID:33328455 phenio.json (beta-D-glucopyranosyloxy)(phenyl)acetonitrile|D,L-mandelonitrile-beta-D-glucoside|alpha-(beta-D-glucopyranosyloxy)benzeneacetonitrile|mandelonitrile beta-D-glucopyranoside|mandelonitrile beta-D-glucoside|mandelonitrile glucoside|prulaurasin|prunasin http://purl.obolibrary.org/obo/CHEBI_25150 3_STAR
CHEBI:25154 biolink:ChemicalSubstance manganese molecular entity phenio.json manganese compounds|manganese molecular entities|manganese molecular entity http://purl.obolibrary.org/obo/CHEBI_25154 3_STAR
CHEBI:25155 biolink:ChemicalSubstance manganese cation phenio.json manganese cation|manganese cations http://purl.obolibrary.org/obo/CHEBI_25155 3_STAR
CHEBI:25165 biolink:ChemicalSubstance mannosamine phosphate phenio.json mannosamine phosphate|mannosamine phosphates http://purl.obolibrary.org/obo/CHEBI_25165 3_STAR
CHEBI:25166 biolink:ChemicalSubstance mannosamine phenio.json mannosamines http://purl.obolibrary.org/obo/CHEBI_25166 3_STAR
CHEBI:25167 biolink:ChemicalSubstance mannosaminolactone phenio.json mannosaminolactones http://purl.obolibrary.org/obo/CHEBI_25167 3_STAR
CHEBI:25168 biolink:ChemicalSubstance mannosylinositol phosphorylceramide A class of complex phosphoglycosphingolipids with a mannose-inositol-P head group. As with other ceramide derivatives, substituents R(1) and R(2) vary with different sphingoid bases and fatty acyl moieties. PMID:7957179 phenio.json mannosylinositol phosphorylceramides http://purl.obolibrary.org/obo/CHEBI_25168 3_STAR
CHEBI:25169 biolink:ChemicalSubstance mannoside phenio.json mannoside|mannosides http://purl.obolibrary.org/obo/CHEBI_25169 3_STAR
CHEBI:25174 biolink:ChemicalSubstance mannooligosaccharide An oligosaccharide comprised of mannose residues. phenio.json mannooligosaccharides http://purl.obolibrary.org/obo/CHEBI_25174 3_STAR
CHEBI:25175 biolink:ChemicalSubstance mannuronates phenio.json mannuronate http://purl.obolibrary.org/obo/CHEBI_25175 3_STAR
CHEBI:25176 biolink:ChemicalSubstance mannuronic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_25176 3_STAR
CHEBI:25179 biolink:ChemicalSubstance melanins phenio.json http://purl.obolibrary.org/obo/CHEBI_25179 1_STAR
CHEBI:25185 biolink:ChemicalSubstance menaquinones Any prenylnaphthoquinone having a prenyl or polyprenyl group at position 3 and a methyl group at position 2 on the naphthoquinone ring. phenio.json http://purl.obolibrary.org/obo/CHEBI_25185 3_STAR
CHEBI:25186 biolink:ChemicalSubstance p-menthane monoterpenoid phenio.json p-menthane monoterpenoids http://purl.obolibrary.org/obo/CHEBI_25186 3_STAR
CHEBI:25187 biolink:ChemicalSubstance p-menthan-3-ol Any secondary alcohol that is one of the eight possible diastereoisomers of 5-methyl-2-(propan-2-yl)cyclohexan-1-ol. phenio.json http://purl.obolibrary.org/obo/CHEBI_25187 3_STAR
CHEBI:25189 biolink:ChemicalSubstance 1,4-dimercaptobutane-2,3-diol A glycol that is butane-2,3-diol in which a hydrogen from each of the methyl groups is replaced by a thiol group. Beilstein:8141671|CAS:7634-42-6 phenio.json 1,4-dimercapto-2,3-butanediol|1,4-dimercaptobutane-2,3-diol|1,4-disulfanylbutane-2,3-diol http://purl.obolibrary.org/obo/CHEBI_25189 3_STAR
CHEBI:25195 biolink:ChemicalSubstance mercury atom CAS:7439-97-6|WebElements:Hg phenio.json 80Hg|Hg|Quecksilber|azogue|hydrargyrum|liquid silver|mercure|mercurio|mercury|quicksilver http://purl.obolibrary.org/obo/CHEBI_25195 3_STAR
CHEBI:25196 biolink:ChemicalSubstance mercury molecular entity phenio.json mercury compounds|mercury molecular entities http://purl.obolibrary.org/obo/CHEBI_25196 3_STAR
CHEBI:25197 biolink:ChemicalSubstance mercury cation phenio.json mercury cations http://purl.obolibrary.org/obo/CHEBI_25197 3_STAR
CHEBI:25212 biolink:ChemicalSubstance metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. phenio.json metabolite|metabolites|primary metabolites|secondary metabolites http://purl.obolibrary.org/obo/CHEBI_25212 3_STAR
CHEBI:25213 biolink:ChemicalSubstance metal cation phenio.json a metal cation|metal cations http://purl.obolibrary.org/obo/CHEBI_25213 3_STAR
CHEBI:25214 biolink:ChemicalSubstance metal-sulfur cluster A metal-sulfur cluster is a unit comprising two or more metal atoms and bridging sulfur ligand(s). phenio.json metal-sulfur clusters|metallo-sulfur cluster http://purl.obolibrary.org/obo/CHEBI_25214 3_STAR
CHEBI:25216 biolink:ChemicalSubstance metalloporphyrin phenio.json metalloporphyrins|metaloporphyrins http://purl.obolibrary.org/obo/CHEBI_25216 3_STAR
CHEBI:25218 biolink:ChemicalSubstance methacrylate A monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of methacrylic acid. CAS:18358-13-9|Gmelin:324367|Reaxys:3587577|UM-BBD_compID:c0520 phenio.json 2-methyl-2-propenoate|2-methyl-2-propenoic acid, ion(1-)|2-methylprop-2-enoate|methacrylate|methacrylate anion|methacrylate(1-) http://purl.obolibrary.org/obo/CHEBI_25218 3_STAR
CHEBI:25219 biolink:ChemicalSubstance methacrylic acid An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a methyl group. CAS:79-41-4|Gmelin:49631|PMID:24227222|PMID:24398912|Reaxys:1719937|Wikipedia:Methacrylic_acid phenio.json 2-Methylpropensaeure|2-methyl-2-propenoic acid|2-methylacrylic acid|2-methylenepropionic acid|2-methylprop-2-enoic acid|2-methylpropenoic acid|Methacrylsaeure|Methakrylsaeure|alpha-methacrylic acid|alpha-methylacrylic acid|methacrylic acid|methylacrylic acid http://purl.obolibrary.org/obo/CHEBI_25219 3_STAR
CHEBI:25223 biolink:ChemicalSubstance methanesulfonate ester An organosulfonic ester resulting from the formal condensation of methanesulfonic acid with the hydroxy group of an alcohol, phenol, heteroarenol, or enol. phenio.json mesylate ester|mesylate esters|methanesulfonic acid esters http://purl.obolibrary.org/obo/CHEBI_25223 3_STAR
CHEBI:25224 biolink:ChemicalSubstance methanesulfonate A 1,1-diunsubstituted alkanesulfonate that is the conjugate base of methanesulfonic acid. MetaCyc:CPD-3746|UM-BBD_compID:c0347 phenio.json methanesulfonate|methylsulfonate http://purl.obolibrary.org/obo/CHEBI_25224 3_STAR
CHEBI:25230 biolink:ChemicalSubstance methionine derivative An amino acid derivative resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of methionine by a heteroatom. The definition normally excludes peptides containing methionine residues. phenio.json methionine derivatives http://purl.obolibrary.org/obo/CHEBI_25230 3_STAR
CHEBI:25235 biolink:ChemicalSubstance monomethoxybenzene Compounds containing a benzene skeleton substituted with one methoxy group. phenio.json monomethoxybenzenes http://purl.obolibrary.org/obo/CHEBI_25235 3_STAR
CHEBI:25236 biolink:ChemicalSubstance methoxybenzoate phenio.json methoxybenzoates http://purl.obolibrary.org/obo/CHEBI_25236 3_STAR
CHEBI:25238 biolink:ChemicalSubstance methoxybenzoic acid Any benzoic acid carrying one or more methoxy substituents. phenio.json methoxybenzoic acids http://purl.obolibrary.org/obo/CHEBI_25238 3_STAR
CHEBI:2524 biolink:ChemicalSubstance ajmalicine A monoterpenoid indole alkaloid with formula C21H24N2O3, isolated from several Rauvolfia and Catharanthus species. It is a selective alpha1-adrenoceptor antagonist used for the treatment of high blood pressure. CAS:483-04-5|KEGG:C09024|KEGG:D08470|KNApSAcK:C00001678|LINCS:LSM-15373|PDBeChem:AJN|PMID:15930738|PMID:19151732|PMID:22331368|PMID:22332772|PMID:24237015|PMID:25555909|PMID:26983347|PMID:27584856|PMID:4387608|PMID:6091834|PMID:6128043|Reaxys:97268|Wikipedia:Ajmalicine phenio.json (19alpha)-16,17-didehydro-19-methyl-oxayohimban-16-carboxylic acid methyl ester|Circolene|Cristanyl|Duxil|Lamuran|Sarpan|ajmalicin|ajmalicine|delta-yohimbine|methyl (19alpha)-19-methyl-16,17-didehydro-18-oxayohimban-16-carboxylate|methyl (4S,4aR,13bS,14aS)-4-methyl-4a,5,7,8,13,13b,14,14a-octahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizine-1-carboxylate|raubasine http://purl.obolibrary.org/obo/CHEBI_2524 3_STAR
CHEBI:25240 biolink:ChemicalSubstance methoxyflavanone A member of the class of flavanones that consists of flavanone with one or more methoxy substituents. phenio.json methoxyflavanones http://purl.obolibrary.org/obo/CHEBI_25240 3_STAR
CHEBI:25241 biolink:ChemicalSubstance methoxyflavone Any member of the class of flavones with at least one methoxy substituent. phenio.json methoxyflavones http://purl.obolibrary.org/obo/CHEBI_25241 3_STAR
CHEBI:25248 biolink:ChemicalSubstance methyl ester Any carboxylic ester resulting from the formal condensation of a carboxy group with methanol. phenio.json carboxylic acid methyl ester|carboxylic acid methyl esters http://purl.obolibrary.org/obo/CHEBI_25248 3_STAR
CHEBI:25253 biolink:ChemicalSubstance methyl halides A haloalkane that is methane in which one of the hydrogens is substituted by a halide atom. PMID:19378995 phenio.json http://purl.obolibrary.org/obo/CHEBI_25253 3_STAR
CHEBI:25255 biolink:ChemicalSubstance methyl methanesulfonate A methanesulfonate ester resulting from the formal condensation of methanesulfonic acid with methanol. CAS:66-27-3|KEGG:C19181|MetaCyc:CPD-7038|PMID:11016630|PMID:14761437|PMID:16764919|PMID:21353429|PMID:21860482|PMID:22907509|PMID:23117069|PMID:23384783|PMID:23483329|Reaxys:1098586|Wikipedia:Methyl_methanesulfonate phenio.json CB1540|MMS|Methanesulfonic acid methyl ester|Methyl mesylate|as-Dimethyl sulfite|methyl methanesulfonate http://purl.obolibrary.org/obo/CHEBI_25255 3_STAR
CHEBI:25263 biolink:ChemicalSubstance methyl D-galactoside phenio.json methyl D-galactoside|methyl D-galactosides http://purl.obolibrary.org/obo/CHEBI_25263 3_STAR
CHEBI:25264 biolink:ChemicalSubstance methyl-L-alanine Any alanine derivative that is L-alanine having one or more methyl groups attached to the amino group. phenio.json http://purl.obolibrary.org/obo/CHEBI_25264 3_STAR
CHEBI:25268 biolink:ChemicalSubstance methyl-L-methionine A L-methionine derivative carrying methyl substituents at the N or S atom. phenio.json methyl-L-methionines http://purl.obolibrary.org/obo/CHEBI_25268 3_STAR
CHEBI:25270 biolink:ChemicalSubstance methyl myo-inositols A cyclitol that is myo-inositol in which one of the alcoholic hydrogens is substituted by a methyl group. phenio.json methyl-myo-inositol http://purl.obolibrary.org/obo/CHEBI_25270 3_STAR
CHEBI:25271 biolink:ChemicalSubstance methyl-branched fatty acyl-CoA A branched-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any methyl-branched fatty acid. phenio.json methyl-FA-CoA|methyl-FA-coenzyme A|methyl-branched fatty acyl-coenzyme A|methyl-fatty acyl-CoA|methyl-substituted fatty acyl-CoA|methyl-substituted fatty acyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_25271 3_STAR
CHEBI:25272 biolink:ChemicalSubstance methyladenine Any member of the class of 6-aminopurines that is adenine bearing a single methyl substituent. phenio.json methyladenines http://purl.obolibrary.org/obo/CHEBI_25272 3_STAR
CHEBI:25273 biolink:ChemicalSubstance methyladenosine phenio.json http://purl.obolibrary.org/obo/CHEBI_25273 1_STAR
CHEBI:25274 biolink:ChemicalSubstance methylamines phenio.json methylated amines http://purl.obolibrary.org/obo/CHEBI_25274 3_STAR
CHEBI:25275 biolink:ChemicalSubstance methylaniline A substituted aniline carrying one or more methyl groups at unspecified positions. phenio.json methylanilines http://purl.obolibrary.org/obo/CHEBI_25275 3_STAR
CHEBI:25280 biolink:ChemicalSubstance methylbenzoic acid phenio.json methylbenzoic acids http://purl.obolibrary.org/obo/CHEBI_25280 3_STAR
CHEBI:25282 biolink:ChemicalSubstance methylbutanal Any member of the class of butanals carrying a methyl substituent at an unspecified position. phenio.json methylbutanals http://purl.obolibrary.org/obo/CHEBI_25282 3_STAR
CHEBI:25286 biolink:ChemicalSubstance methylbutanoyl-CoA Any member of the class of butanoyl-CoAs having methylbutanoyl as the acyl substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_25286 3_STAR
CHEBI:25289 biolink:ChemicalSubstance methylcatechol Any member of the class of catechols carrying one or more methyl substituents. phenio.json methylcatechols http://purl.obolibrary.org/obo/CHEBI_25289 3_STAR
CHEBI:25294 biolink:ChemicalSubstance methylcytidine Any member of the class of cytidines that is cytidine substituted by at least one methyl group. phenio.json methylcytidines http://purl.obolibrary.org/obo/CHEBI_25294 3_STAR
CHEBI:25297 biolink:ChemicalSubstance methylenetetrahydrofolic acid phenio.json methylenetetrahydrofolate|methylenetetrahydrofolates http://purl.obolibrary.org/obo/CHEBI_25297 3_STAR
CHEBI:25302 biolink:ChemicalSubstance methyl glycoside phenio.json methyl glycoside|methyl glycosides|methylglycosides http://purl.obolibrary.org/obo/CHEBI_25302 3_STAR
CHEBI:25305 biolink:ChemicalSubstance methylguanine A 2-aminopurine that is guanine bearing a single methyl substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_25305 3_STAR
CHEBI:25307 biolink:ChemicalSubstance methylguanosine Any guanosine carrying one or more methyl substituents. phenio.json methylguanosines http://purl.obolibrary.org/obo/CHEBI_25307 3_STAR
CHEBI:25311 biolink:ChemicalSubstance methylisocitric acid A tricarboxylic acid that is isocitric acid substituted by a methyl group alpha- to one of the carboxylic acid groups. phenio.json 3-hydroxybutane-1,2,3-tricarboxylic acid http://purl.obolibrary.org/obo/CHEBI_25311 3_STAR
CHEBI:25322 biolink:ChemicalSubstance methylmercury compound An alkylmercury compound in which the alkyl group specified is methyl. phenio.json methylmercury compounds http://purl.obolibrary.org/obo/CHEBI_25322 3_STAR
CHEBI:25336 biolink:ChemicalSubstance methylpropanoyl-CoA A propanoyl-CoA substituted by a methyl group on the propanoyl side chain. phenio.json methylpropanoyl-CoAs http://purl.obolibrary.org/obo/CHEBI_25336 3_STAR
CHEBI:25340 biolink:ChemicalSubstance methylpyridines Any member of the class of pyridines that carries at least one methyl substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_25340 3_STAR
CHEBI:25345 biolink:ChemicalSubstance methyltetrahydrofolate A group of heterocyclic compounds based on the N-methylated 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid or L-glutamate units. phenio.json methyltetrahydrofolates http://purl.obolibrary.org/obo/CHEBI_25345 3_STAR
CHEBI:25347 biolink:ChemicalSubstance methyluridine A uridine bearing one or more methyl substituents. phenio.json methyluridines http://purl.obolibrary.org/obo/CHEBI_25347 3_STAR
CHEBI:25348 biolink:ChemicalSubstance methylxanthine phenio.json methylxanthines http://purl.obolibrary.org/obo/CHEBI_25348 3_STAR
CHEBI:25350 biolink:ChemicalSubstance mevalonate A racemate composed of equimolar amounts of (R)- and (S)-mevalonate. Reaxys:4383181 phenio.json (+-)-mevalonate|(RS)-mevalonate|RS-mevalonate|mevalonic acid anion|rac-3,5-dihydroxy-3-methylpentanoate|rac-mevalonate|racemic mevalonate http://purl.obolibrary.org/obo/CHEBI_25350 3_STAR
CHEBI:25351 biolink:ChemicalSubstance mevalonic acid A racemate composed of equimolar amounts of (R)- and (S)-mevalonic acid. CAS:150-97-0|HMDB:HMDB0000227|PMID:10369261|PMID:10647065|PMID:10947201|PMID:11521206|PMID:12031835|PMID:12872277|PMID:1653652|PMID:22770225|PMID:2702744|PMID:3012338|PMID:32004772|PMID:35840187|PMID:36247639|PMID:5683362|PMID:6236250|PMID:6263908|PMID:6565710|PMID:6610447|PMID:6953445|PMID:8747489|Reaxys:1722595|Wikipedia:Mevalonic_acid phenio.json (+-)-2,4-dideoxy-3-C-methylpentonic acid|(+-)-3,5-dihydroxy-3-methylvaleric acid|(+-)-MVA|(+-)-mevalonic acid|(3RS)-mevalonic acid|(RS)-mevalonic acid|DL-mevalonic acid|RS-mevalonic acid|rac-3,5-dihydroxy-3-methylpentanoic acid|rac-MVA|rac-mevalonic acid|racemic mevalonic acid http://purl.obolibrary.org/obo/CHEBI_25351 3_STAR
CHEBI:25354 biolink:ChemicalSubstance mineralocorticoid Mineralocorticoids are a class of steroid hormones that regulate water and electrolyte metabolism. phenio.json mineralocorticoids http://purl.obolibrary.org/obo/CHEBI_25354 3_STAR
CHEBI:25355 biolink:ChemicalSubstance mitochondrial respiratory-chain inhibitor phenio.json mitochondrial electron transport chain inhibitors|mitochondrial electron-transport chain inhibitor|mitochondrial respiratory chain inhibitors http://purl.obolibrary.org/obo/CHEBI_25355 3_STAR
CHEBI:25357 biolink:ChemicalSubstance mitomycin A family of aziridine-containing natural products isolated from Streptomyces caespitosus or Streptomyces lavendulae. PMID:19777135|Wikipedia:Mitomycin phenio.json mitomycins http://purl.obolibrary.org/obo/CHEBI_25357 3_STAR
CHEBI:25362 biolink:ChemicalSubstance elemental molecule A molecule all atoms of which have the same atomic number. phenio.json homoatomic molecule|homoatomic molecules http://purl.obolibrary.org/obo/CHEBI_25362 3_STAR
CHEBI:25367 biolink:ChemicalSubstance molecule Any polyatomic entity that is an electrically neutral entity consisting of more than one atom. phenio.json Molekuel|molecula|molecule|molecules|neutral molecular compounds http://purl.obolibrary.org/obo/CHEBI_25367 3_STAR
CHEBI:25370 biolink:ChemicalSubstance molybdenum molecular entity phenio.json molybdenum compounds|molybdenum molecular entities http://purl.obolibrary.org/obo/CHEBI_25370 3_STAR
CHEBI:25371 biolink:ChemicalSubstance molybdic acid CAS:7782-91-4|Gmelin:26071 phenio.json H2MoO4|[MoO2(OH)2]|dihydroxidodioxidomolybdenum|molybdic acid|molybdic(VI) acid http://purl.obolibrary.org/obo/CHEBI_25371 3_STAR
CHEBI:25372 biolink:ChemicalSubstance molybdopterin cofactor A molybdopterin to which a metal or metal oxide is coordinated, and that acts as a prosthetic group. COMe:MOL000127 phenio.json molybdopterin cofactors http://purl.obolibrary.org/obo/CHEBI_25372 3_STAR
CHEBI:25375 biolink:ChemicalSubstance monoamine molecular messenger A group of neurotransmitters and neuromodulators that contain one amino group that is connected to an aromatic ring by ethylene group (-CH2-CH2-). Monoamines are derived from the aromatic amino acids phenylalanine, tyrosine, histidine and tryptophan. phenio.json monamines|monoamines http://purl.obolibrary.org/obo/CHEBI_25375 3_STAR
CHEBI:25380 biolink:ChemicalSubstance acetylenic fatty acid Any unsaturated fatty acid containing at least one triple bond in the carbon chain framework. phenio.json acetylenic FA|acetylenic FAs|acetylenic fatty acids|alkynic FA|alkynic FAs|alkynic fatty acid|alkynic fatty acids http://purl.obolibrary.org/obo/CHEBI_25380 3_STAR
CHEBI:25381 biolink:ChemicalSubstance monoalkyl phosphate phenio.json monoalkyl phosphates http://purl.obolibrary.org/obo/CHEBI_25381 3_STAR
CHEBI:25384 biolink:ChemicalSubstance monocarboxylic acid An oxoacid containing a single carboxy group. phenio.json monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_25384 3_STAR
CHEBI:25387 biolink:ChemicalSubstance monohydroxyacetophenone A hydroxyacetophenone carrying a single hydroxy substituent. phenio.json monohydroxyacetophenones http://purl.obolibrary.org/obo/CHEBI_25387 3_STAR
CHEBI:25388 biolink:ChemicalSubstance monohydroxybenzoate A hydroxybenzoate carrying a single hydroxy substituent at unspecified position. phenio.json monohydroxybenzoates http://purl.obolibrary.org/obo/CHEBI_25388 3_STAR
CHEBI:25389 biolink:ChemicalSubstance monohydroxybenzoic acid Any hydroxybenzoic acid having a single phenolic hydroxy substituent on the benzene ring. phenio.json monohydroxybenzoic acids http://purl.obolibrary.org/obo/CHEBI_25389 3_STAR
CHEBI:25392 biolink:ChemicalSubstance naphthols Any hydroxynaphthalene derivative that has a single hydroxy substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_25392 3_STAR
CHEBI:25399 biolink:ChemicalSubstance cresol A hydroxytoluene that consists of toluene carrying a single hydroxy substituent at any position. A 'closed class'. CAS:1319-77-3|Pesticides:cresol|Wikipedia:Cresol phenio.json Hydroxytoluole|Kresol|Kresole|acide cresylique|cresol|cresols|cresylic acid|hydroxymethylbenzene|hydroxytoluene|methylphenol|mixed cresols http://purl.obolibrary.org/obo/CHEBI_25399 3_STAR
CHEBI:25400 biolink:ChemicalSubstance monoiodotyrosine An iodotyrosine carrying a single iodo substituent. phenio.json monoiodotyrosines http://purl.obolibrary.org/obo/CHEBI_25400 3_STAR
CHEBI:25401 biolink:ChemicalSubstance monomethoxyflavone Any methoxyflavone with a single methoxy substituent. phenio.json monomethoxyflavone|monomethoxyflavones http://purl.obolibrary.org/obo/CHEBI_25401 3_STAR
CHEBI:25405 biolink:ChemicalSubstance monophosphoglyceric acid A glyceric acid phosphate in which only one of the hydroxy groups has been phosphorylated. phenio.json monophosphoglyceric acid|monophosphoglyceric acids http://purl.obolibrary.org/obo/CHEBI_25405 3_STAR
CHEBI:25408 biolink:ChemicalSubstance monoterpene ketone A terpene ketone derived from a monoterpene. phenio.json monoterpene ketones http://purl.obolibrary.org/obo/CHEBI_25408 3_STAR
CHEBI:25409 biolink:ChemicalSubstance monoterpenoid Any terpenoid derived from a monoterpene. The term includes compounds in which the C10 skeleton of the parent monoterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0102 phenio.json monoterpenoids http://purl.obolibrary.org/obo/CHEBI_25409 3_STAR
CHEBI:25411 biolink:ChemicalSubstance monoterpenols phenio.json http://purl.obolibrary.org/obo/CHEBI_25411 1_STAR
CHEBI:25412 biolink:ChemicalSubstance monoterpenyl phosphate phenio.json monoterpenyl phosphates http://purl.obolibrary.org/obo/CHEBI_25412 3_STAR
CHEBI:25413 biolink:ChemicalSubstance monounsaturated fatty acid Any fatty acid with one double or triple bond in the fatty acid chain and singly bonded carbon atoms in the rest of the chain. MUFAs have positive effects on the cardiovascular system, and in diabetes treatment. PMID:10584045|PMID:12936956 phenio.json MUFA|MUFAs|monounsaturated fatty acids http://purl.obolibrary.org/obo/CHEBI_25413 3_STAR
CHEBI:25414 biolink:ChemicalSubstance monoatomic monocation phenio.json monoatomic monocations|monovalent inorganic cations http://purl.obolibrary.org/obo/CHEBI_25414 3_STAR
CHEBI:25418 biolink:ChemicalSubstance morphinane alkaloid An isoquinoline alkaloid based on a morphinan skeleton and its substituted derivatives. phenio.json morphinane alkaloids http://purl.obolibrary.org/obo/CHEBI_25418 3_STAR
CHEBI:25422 biolink:ChemicalSubstance muconate semialdehyde phenio.json http://purl.obolibrary.org/obo/CHEBI_25422 1_STAR
CHEBI:25426 biolink:ChemicalSubstance mugineic acid An azetidinecarboxylic acid that is the parent of the class of mugineic acids. CAS:69199-37-7|KEGG:C15500|PMID:21350950|Patent:KR20090078824|Reaxys:5884020 phenio.json 4-[(2S)-2-carboxyazetidin-1-yl]-N-[(3S)-3-carboxy-3-hydroxypropyl]-L-allothreonine|N-(3-(3-Carboxypropylamino)-2-hydroxy-3-carboxypropyl)azetidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_25426 3_STAR
CHEBI:25427 biolink:ChemicalSubstance mugineic acids phenio.json MAs http://purl.obolibrary.org/obo/CHEBI_25427 3_STAR
CHEBI:25430 biolink:ChemicalSubstance monoatomic polycation phenio.json monoatomic polycations|multivalent inorganic cations http://purl.obolibrary.org/obo/CHEBI_25430 3_STAR
CHEBI:25432 biolink:ChemicalSubstance muramic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_25432 3_STAR
CHEBI:25435 biolink:ChemicalSubstance mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution. Wikipedia:Mutagen phenio.json mutagene|mutagenes|mutagenic agent|mutageno|mutagenos|mutagens http://purl.obolibrary.org/obo/CHEBI_25435 3_STAR
CHEBI:25437 biolink:ChemicalSubstance mycolates phenio.json http://purl.obolibrary.org/obo/CHEBI_25437 1_STAR
CHEBI:25438 biolink:ChemicalSubstance mycolic acid Mycolic acids are alpha-branched, beta-hydroxy long-chain fatty acids found in the cell walls of the mycolata taxon, a group of bacteria that includes Mycobacterium tuberculosis, the causative agent of the disease tuberculosis. PMID:10844652|PMID:11491525|PMID:16341241|PMID:1748873|PMID:18312856|PMID:18770604|PMID:1954242|PMID:20519644|PMID:20875402|PMID:2306483|PMID:2777756|PMID:3226228|PMID:3700601|PMID:6427401|PMID:8466947|PMID:9044265|Wikipedia:Mycolic_acid phenio.json mycolic acids http://purl.obolibrary.org/obo/CHEBI_25438 3_STAR
CHEBI:2544 biolink:ChemicalSubstance albanol A CAS:87085-00-5|KEGG:C08738|KNApSAcK:C00002392 phenio.json Albanol A|Mulberrofuran G http://purl.obolibrary.org/obo/CHEBI_2544 2_STAR
CHEBI:25441 biolink:ChemicalSubstance mycothiols phenio.json http://purl.obolibrary.org/obo/CHEBI_25441 3_STAR
CHEBI:25442 biolink:ChemicalSubstance mycotoxin Poisonous substance produced by fungi. phenio.json fungal toxins|mycotoxins http://purl.obolibrary.org/obo/CHEBI_25442 3_STAR
CHEBI:25443 biolink:ChemicalSubstance myo-inositol bisphosphate phenio.json myo-inositol bisphosphates http://purl.obolibrary.org/obo/CHEBI_25443 3_STAR
CHEBI:25444 biolink:ChemicalSubstance myo-inositol cyclic phosphate phenio.json myo-inositol cyclic phosphates http://purl.obolibrary.org/obo/CHEBI_25444 3_STAR
CHEBI:25445 biolink:ChemicalSubstance myo-inositol hexakisphosphates phenio.json http://purl.obolibrary.org/obo/CHEBI_25445 3_STAR
CHEBI:25446 biolink:ChemicalSubstance myo-inositol monophosphate A myo-inositol phosphate that is myo-inositol in which one of the hydroxy groups is replaced by a phosphate group. A 'closed class'. phenio.json myo-inositol monophosphates http://purl.obolibrary.org/obo/CHEBI_25446 3_STAR
CHEBI:25447 biolink:ChemicalSubstance myo-inositol pentakisphosphate phenio.json myo-inositol pentakisphosphates http://purl.obolibrary.org/obo/CHEBI_25447 3_STAR
CHEBI:25448 biolink:ChemicalSubstance myo-inositol phosphate An inositol phosphate in which the inositol component has myo-configuration. PMID:1694860 phenio.json myo inositol phosphates|myo-inositol phosphate|myo-inositol phosphates http://purl.obolibrary.org/obo/CHEBI_25448 3_STAR
CHEBI:25449 biolink:ChemicalSubstance myo-inositol tetrakisphosphate phenio.json myo-inositol tetrakisphosphates http://purl.obolibrary.org/obo/CHEBI_25449 3_STAR
CHEBI:25450 biolink:ChemicalSubstance myo-inositol trisphosphate phenio.json myo-inositol trisphosphates http://purl.obolibrary.org/obo/CHEBI_25450 3_STAR
CHEBI:25455 biolink:ChemicalSubstance myristoyl amino acid phenio.json http://purl.obolibrary.org/obo/CHEBI_25455 1_STAR
CHEBI:25458 biolink:ChemicalSubstance myrtenal phenio.json http://purl.obolibrary.org/obo/CHEBI_25458 1_STAR
CHEBI:25460 biolink:ChemicalSubstance myrtenol phenio.json http://purl.obolibrary.org/obo/CHEBI_25460 1_STAR
CHEBI:25461 biolink:ChemicalSubstance myxothiazol A 2,4'-bi-1,3-thiazole substituted at the 4-position with a (1E,3S,4R,5E)-7-amino-3,5-dimethoxy-4-methyl-7-oxohepta-1,5-dien-1-yl] group and at the 2'-position with a (2S,3E,5E)-7-methylocta-3,5-dien-2-yl group. It is an inhibitor of coenzyme Q - cytochrome c reductase. CAS:76706-55-3|DrugBank:DB04741|KEGG:C15674|KNApSAcK:C00018319|MetaCyc:CPD0-1244|PDBeChem:MYX|PMID:10853768|PMID:11134965|PMID:11237706|PMID:12176058|PMID:15312779|PMID:16081299|PMID:18221415|PMID:24414973|PMID:24661880|PMID:2753821|PMID:2846049|PMID:29402945|PMID:31079230|PMID:6274398|PMID:6752659|PMID:7247372|PMID:7271921|Wikipedia:Myxothiazol phenio.json (+)-myxothiazol|(+)-myxothiazol A|(2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-{2'-[(2S,3E,5E)-7-methylocta-3,5-dien-2-yl][2,4'-bi-1,3-thiazol]-4-yl}hepta-2,6-dienamide|Myxothiazol A http://purl.obolibrary.org/obo/CHEBI_25461 3_STAR
CHEBI:25471 biolink:ChemicalSubstance naphthalenemonosulfonate phenio.json http://purl.obolibrary.org/obo/CHEBI_25471 1_STAR
CHEBI:25477 biolink:ChemicalSubstance naphthalenes Any benzenoid aromatic compound having a skeleton composed of two ortho-fused benzene rings. phenio.json http://purl.obolibrary.org/obo/CHEBI_25477 3_STAR
CHEBI:25478 biolink:ChemicalSubstance naphthalenesulfonate phenio.json http://purl.obolibrary.org/obo/CHEBI_25478 1_STAR
CHEBI:25479 biolink:ChemicalSubstance naphthalenone Any naphthalene that is carrying at least one oxo substituent. phenio.json naphthalenones http://purl.obolibrary.org/obo/CHEBI_25479 3_STAR
CHEBI:25481 biolink:ChemicalSubstance naphthoquinone A polycyclic aromatic ketone metabolite of naphthalene. phenio.json naphthoquinones http://purl.obolibrary.org/obo/CHEBI_25481 3_STAR
CHEBI:25482 biolink:ChemicalSubstance naphthoate phenio.json naphthalenecarboxylate http://purl.obolibrary.org/obo/CHEBI_25482 3_STAR
CHEBI:25483 biolink:ChemicalSubstance naphthoic acid An aromatic carboxylic acid that consists of a naphthalene skeleton substituted by one or more carboxy groups. phenio.json naphthalenecarboxylic acid http://purl.obolibrary.org/obo/CHEBI_25483 3_STAR
CHEBI:2549 biolink:ChemicalSubstance albuterol A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). CAS:18559-94-9|DrugBank:DB01001|Drug_Central:105|HMDB:HMDB0001937|KEGG:D02147|LINCS:LSM-5178|PMID:8267204|PMID:9847435|Reaxys:2213614|Wikipedia:Albuterol phenio.json 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol|Albuterol|Proventil|Salbutamol http://purl.obolibrary.org/obo/CHEBI_2549 3_STAR
CHEBI:25491 biolink:ChemicalSubstance nematicide A substance used to destroy pests of the phylum Nematoda (roundworms). Wikipedia:Nematicide phenio.json nematicides|nematocide|nematocides http://purl.obolibrary.org/obo/CHEBI_25491 3_STAR
CHEBI:25495 biolink:ChemicalSubstance neohesperidoside A glycoside containing alpha-L-rhamnopyranosyl-(1->2)-beta-D-glucopyranosyl residue as the sugar unit. phenio.json neohesperidoside|neohesperidosides http://purl.obolibrary.org/obo/CHEBI_25495 3_STAR
CHEBI:25500 biolink:ChemicalSubstance neopterins phenio.json http://purl.obolibrary.org/obo/CHEBI_25500 3_STAR
CHEBI:25501 biolink:ChemicalSubstance neoxanthin An epoxycarotenoid that is 6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene which is substituted by hydroxy groups at the 3, 3', and 5 positions. CAS:30743-41-0|KEGG:C08606|KNApSAcK:C00003780 phenio.json all-trans-Neoxanthin http://purl.obolibrary.org/obo/CHEBI_25501 3_STAR
CHEBI:25505 biolink:ChemicalSubstance neuraminate A member of the class of neuraminates obtained by deprotonation of the carboxy group of keto-neuraminic acid. phenio.json 5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonate http://purl.obolibrary.org/obo/CHEBI_25505 3_STAR
CHEBI:25506 biolink:ChemicalSubstance neuraminates phenio.json http://purl.obolibrary.org/obo/CHEBI_25506 3_STAR
CHEBI:25508 biolink:ChemicalSubstance neuraminic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_25508 3_STAR
CHEBI:25512 biolink:ChemicalSubstance neurotransmitter An endogenous compound that is used to transmit information across the synapse between a neuron and another cell. Wikipedia:Neurotransmitter phenio.json neurotransmitters http://purl.obolibrary.org/obo/CHEBI_25512 3_STAR
CHEBI:25513 biolink:ChemicalSubstance neutral glycosphingolipid Any glycosphingolipid containing unsubstituted glycosyl moieties. phenio.json neutral glycosphingolipids http://purl.obolibrary.org/obo/CHEBI_25513 3_STAR
CHEBI:25516 biolink:ChemicalSubstance nickel cation phenio.json Ni cation|nickel cation|nickel cations http://purl.obolibrary.org/obo/CHEBI_25516 3_STAR
CHEBI:25519 biolink:ChemicalSubstance nickel tetrapyrrole phenio.json nickel-tetrapyrrole coenzymes|nickel-tetrapyrroles http://purl.obolibrary.org/obo/CHEBI_25519 3_STAR
CHEBI:25520 biolink:ChemicalSubstance nicotianamine CAS:34441-14-0 phenio.json 1-{3-[(3-amino-3-carboxypropyl)amino]-3-carboxypropyl}azetidine-2-carboxylic acid|N-(N-(3-amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_25520 3_STAR
CHEBI:25523 biolink:ChemicalSubstance NADP Abbreviation for nicotinamide-adenine dinucleotide phosphate when its oxidation state is unknown or unspecified. phenio.json nicotinamide-adenine dinucleotide phosphate http://purl.obolibrary.org/obo/CHEBI_25523 3_STAR
CHEBI:25524 biolink:ChemicalSubstance NAD(P) A coenzyme that may be NAD or NADP. phenio.json http://purl.obolibrary.org/obo/CHEBI_25524 3_STAR
CHEBI:25526 biolink:ChemicalSubstance N-glycosylnicotinamide phenio.json N-glycosylnicotinamides http://purl.obolibrary.org/obo/CHEBI_25526 3_STAR
CHEBI:25527 biolink:ChemicalSubstance nicotinamide nucleotide phenio.json nicotinamide nucleotides http://purl.obolibrary.org/obo/CHEBI_25527 3_STAR
CHEBI:25529 biolink:ChemicalSubstance pyridinecarboxamide A member of the class of pyridines that is a substituted pyridine in which at least one of the substituents is a carboxamide or N-substituted caraboxamide group. phenio.json pyridinecarboxamides http://purl.obolibrary.org/obo/CHEBI_25529 3_STAR
CHEBI:25533 biolink:ChemicalSubstance N-glycosylnicotinate phenio.json http://purl.obolibrary.org/obo/CHEBI_25533 1_STAR
CHEBI:25534 biolink:ChemicalSubstance nicotinic acid nucleotide phenio.json nicotinic acid nucleotides http://purl.obolibrary.org/obo/CHEBI_25534 3_STAR
CHEBI:25540 biolink:ChemicalSubstance neonicotinoid insectide A class of neuro-active insecticides that act at the nicotinic acetylcholine receptor. Wikipedia:Neonicotinoid phenio.json neonicotinoid insectides|nicotinoid insectide|nicotinoid insectides http://purl.obolibrary.org/obo/CHEBI_25540 3_STAR
CHEBI:25548 biolink:ChemicalSubstance nitrilotriacetate(3-) A tricarboxylic acid trianion resulting from the deprotonation of all three hydroxy groups of nitrilotriacetic acid. Beilstein:3550639|CAS:28528-44-1|Gmelin:50722|UM-BBD_compID:c0557 phenio.json 2,2',2''-nitrilotriacetate|nitrilotriacetate|nitrilotriacetic acid ion(3-)|nta(3-) http://purl.obolibrary.org/obo/CHEBI_25548 3_STAR
CHEBI:25549 biolink:ChemicalSubstance nitrites phenio.json http://purl.obolibrary.org/obo/CHEBI_25549 1_STAR
CHEBI:2555 biolink:ChemicalSubstance aldicarb The oxime carbamate resulting from the addition of 2-methyl-2-(methylsulfanyl)propanaldoxime to methyl isocyanate. A member of the class of oxime carbamate insecticides, aldicarb is a mixture of E and Z isomers; it is not known which isomer is more active. Beilstein:2046931|CAS:116-06-3|KEGG:C11015|LINCS:LSM-20978|PPDB:19|Patent:US3217037 phenio.json 2-Methyl-2-(methylthio)propanal, O-((methylamino)carbonyl)oxime|2-Methyl-2-(methylthio)propionaldehyde O-(methylcarbamoyl)oxime|2-Methyl-2-methylthio-propionaldehyd-O-(N-methyl-carbamoyl)-oxim|2-methyl-N-[(methylcarbamoyl)oxy]-2-(methylsulfanyl)propan-1-imine|Aldicarb|aldicarb|aldicarbe http://purl.obolibrary.org/obo/CHEBI_2555 3_STAR
CHEBI:25550 biolink:ChemicalSubstance nitroaniline A substituted aniline that carries one or more nitro groups. phenio.json nitroanilines http://purl.obolibrary.org/obo/CHEBI_25550 3_STAR
CHEBI:25552 biolink:ChemicalSubstance nitrobenzoate phenio.json nitrobenzoates http://purl.obolibrary.org/obo/CHEBI_25552 3_STAR
CHEBI:25553 biolink:ChemicalSubstance nitrobenzoic acid Any member of the class of benzoic acids with at least one nitro substituent attached to the benzene ring. phenio.json nitrobenzoic acids http://purl.obolibrary.org/obo/CHEBI_25553 3_STAR
CHEBI:25555 biolink:ChemicalSubstance nitrogen atom WebElements:N phenio.json 7N|N|Stickstoff|azote|nitrogen|nitrogeno http://purl.obolibrary.org/obo/CHEBI_25555 3_STAR
CHEBI:25558 biolink:ChemicalSubstance organonitrogen heterocyclic antibiotic phenio.json organonitrogen heterocyclic antibiotics http://purl.obolibrary.org/obo/CHEBI_25558 3_STAR
CHEBI:25560 biolink:ChemicalSubstance nitroglycerol A nitrate ester that is glycerol in which nitro group(s) replace the hydrogen(s) attached to one or more of the hydroxy groups. phenio.json nitroglycerols http://purl.obolibrary.org/obo/CHEBI_25560 3_STAR
CHEBI:25562 biolink:ChemicalSubstance nitrophenol Any member of the class of phenols or substituted phenols carrying at least 1 nitro group. phenio.json nitrophenols http://purl.obolibrary.org/obo/CHEBI_25562 3_STAR
CHEBI:25566 biolink:ChemicalSubstance nitrotoluene Any member of the class of toluenes bearing one or more nitro substituents on the benzene ring. phenio.json http://purl.obolibrary.org/obo/CHEBI_25566 3_STAR
CHEBI:25567 biolink:ChemicalSubstance nitrous acid CAS:7782-77-6|Gmelin:983|KEGG:C00088|PDBeChem:NO2 phenio.json HNO2|[NO(OH)]|dioxonitric acid|hydrogen dioxonitrate(1-)|hydroxidooxidonitrogen|nitrosyl hydroxide|nitrous acid http://purl.obolibrary.org/obo/CHEBI_25567 3_STAR
CHEBI:25572 biolink:ChemicalSubstance nocardicin phenio.json nocardicins http://purl.obolibrary.org/obo/CHEBI_25572 3_STAR
CHEBI:25575 biolink:ChemicalSubstance nonadienedioate phenio.json nonadienedioates http://purl.obolibrary.org/obo/CHEBI_25575 3_STAR
CHEBI:25576 biolink:ChemicalSubstance nonadienedioic acid phenio.json nonadienedioic acids http://purl.obolibrary.org/obo/CHEBI_25576 3_STAR
CHEBI:25579 biolink:ChemicalSubstance nonanone Any ketone that is nonane substituted by an oxo group at unspecified position. phenio.json nonanones http://purl.obolibrary.org/obo/CHEBI_25579 3_STAR
CHEBI:25582 biolink:ChemicalSubstance nonaprenol Any polyprenol composed of at least nine isoprene units. phenio.json nonaprenols http://purl.obolibrary.org/obo/CHEBI_25582 3_STAR
CHEBI:25585 biolink:ChemicalSubstance nonmetal atom phenio.json Nichtmetall|Nichtmetalle|no metal|no metales|non-metal|non-metaux|nonmetal|nonmetals http://purl.obolibrary.org/obo/CHEBI_25585 3_STAR
CHEBI:2559 biolink:ChemicalSubstance aldohexose 6-phosphate KEGG:C03251 phenio.json Aldohexose 6-phosphate http://purl.obolibrary.org/obo/CHEBI_2559 3_STAR
CHEBI:25591 biolink:ChemicalSubstance norcoclaurine A benzylisoquinoline alkaloid based on a benzyltetrahydroisoquinoline skeleton. phenio.json norcoclaurines http://purl.obolibrary.org/obo/CHEBI_25591 3_STAR
CHEBI:25604 biolink:ChemicalSubstance nucleotide-(amino alcohol)s phenio.json http://purl.obolibrary.org/obo/CHEBI_25604 3_STAR
CHEBI:25605 biolink:ChemicalSubstance nucleoside antibiotic phenio.json http://purl.obolibrary.org/obo/CHEBI_25605 1_STAR
CHEBI:25608 biolink:ChemicalSubstance nucleoside phosphate A nucleobase-containing molecular entity that is a nucleoside in which one or more of the sugar hydroxy groups has been converted into a mono- or poly-phosphate. The term includes both nucleotides and non-nucleotide nucleoside phosphates. KEGG:C01329 phenio.json NMP|nucleoside phosphates http://purl.obolibrary.org/obo/CHEBI_25608 3_STAR
CHEBI:25609 biolink:ChemicalSubstance nucleotide-sugar phenio.json nucleotide-sugar|nucleotide-sugars http://purl.obolibrary.org/obo/CHEBI_25609 3_STAR
CHEBI:25614 biolink:ChemicalSubstance nylons phenio.json http://purl.obolibrary.org/obo/CHEBI_25614 1_STAR
CHEBI:25622 biolink:ChemicalSubstance orthoquinones Any quinone in which the carbons of the two carbonyl groups in the quinone system are joined to each other by a single bond. phenio.json o-quinone|o-quinones|ortho-quinone|ortho-quinones|orthoquinone http://purl.obolibrary.org/obo/CHEBI_25622 3_STAR
CHEBI:25626 biolink:ChemicalSubstance octadecadienoate A long-chain, unsaturated fatty acid anion formed by deprotonation of the carboxy group of any octadecadienoic acid; major species at pH 7.3. phenio.json octadecadienoate http://purl.obolibrary.org/obo/CHEBI_25626 3_STAR
CHEBI:25627 biolink:ChemicalSubstance octadecadienoic acid Any straight-chain, C18 polyunsaturated fatty acid having two C=C double bonds. CAS:26764-25-0|PMID:6794350 phenio.json 18:2|C18:2|FA (18:2)|octadecadienoic acid http://purl.obolibrary.org/obo/CHEBI_25627 3_STAR
CHEBI:25629 biolink:ChemicalSubstance octadecanoate A fatty acid anion 18:0 that is the conjugate base of octadecanoic acid (stearic acid). Stearates have a variety of uses in the pharmaceutical industry. CAS:646-29-7|Gmelin:344065|KEGG:C01530|MetaCyc:STEARIC_ACID|PMID:16401590|PMID:19184617|PMID:3180776|PMID:7452460|Reaxys:3590530 phenio.json CH3-[CH2]16-COO(-)|Stearate|octadecanoate|octadecanoic acid, ion(1-)|stearate|stearic acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_25629 3_STAR
CHEBI:25633 biolink:ChemicalSubstance octadecatrienoic acid Any trienoic fatty acid having eighteen carbons. phenio.json 18:3|C18:3|Octadecatriensaeure|octadecatrienoic acid http://purl.obolibrary.org/obo/CHEBI_25633 3_STAR
CHEBI:25634 biolink:ChemicalSubstance octadecenoic acid Any member of the group of C18 monounsaturated fatty acids with the double bond located at any position in the chain. PMID:18832207|PMID:19106329|PMID:7276754 phenio.json octadecenoic acid http://purl.obolibrary.org/obo/CHEBI_25634 3_STAR
CHEBI:25635 biolink:ChemicalSubstance octadecenynoic acid Any C18 polyunsaturated fatty acid containing one C=C and one C#C bond. PMID:4674505|PMID:4676643 phenio.json octadecenynoic acid|octadecenynoic acids http://purl.obolibrary.org/obo/CHEBI_25635 3_STAR
CHEBI:25637 biolink:ChemicalSubstance octadienoate phenio.json http://purl.obolibrary.org/obo/CHEBI_25637 1_STAR
CHEBI:25639 biolink:ChemicalSubstance octadienol A primary alcohol that is octanol consisting of two double bonds at unspecified positions. phenio.json octadienols http://purl.obolibrary.org/obo/CHEBI_25639 3_STAR
CHEBI:2564 biolink:ChemicalSubstance aldrin An organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to give dieldrin), it was widely used as an insecticide before being banned in the 1970s as a persistent organic pollutant. CAS:309-00-2|KEGG:C07552|PMID:18427830|PMID:21724225|PMID:26449612|PMID:28101603|PMID:28393264|PPDB:21|Patent:US2635977|Patent:US2911447|Pesticides:aldrin|Reaxys:2336652|Wikipedia:Aldrin phenio.json (1R,4S,4aS,5S,8R,8aR)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|(1alpha,4alpha,4abeta,5alpha,8alpha,8abeta)-1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene|1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-endo-1,4-exo-5,8-dimethanonaphthalene|1,2,3,4,10,10-hexachloro-1,4,4a,5,8,8a-hexahydro-exo-1,4-endo-5,8-dimethanonaphthalene|Compound 118|HHDN|aldrine http://purl.obolibrary.org/obo/CHEBI_2564 3_STAR
CHEBI:25640 biolink:ChemicalSubstance octamethylcyclotetrasiloxane A cyclosiloxane that is the octamethyl derivative of cyclotetrasiloxane. CAS:556-67-2|Gmelin:408865|PMID:23200569|PMID:24012894|PMID:24279694|Reaxys:1787074|UM-BBD_compID:c0578 phenio.json 2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane|2,2,4,4,6,6,8,8-octamethyl-1,3,5,7,2,4,6,8-tetroxatetrasilocane|Octamethylcyclotetrasiloxane|Oktamethylzyklotetrasiloxan|cyclic dimethylsiloxane tetramer http://purl.obolibrary.org/obo/CHEBI_25640 3_STAR
CHEBI:25646 biolink:ChemicalSubstance octanoate A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis. CAS:74-81-7|Gmelin:329219|PMID:11983812|Reaxys:3588079|UM-BBD_compID:c0047 phenio.json 1-heptanecarboxylate|CH3-[CH2]6-COO(-)|caprilate|caprylate|n-caprylate|n-octanoate|n-octoate|n-octylate|octanoate|octanoic acid, ion(1-)|octylate http://purl.obolibrary.org/obo/CHEBI_25646 3_STAR
CHEBI:25661 biolink:ChemicalSubstance oleandomycins phenio.json http://purl.obolibrary.org/obo/CHEBI_25661 1_STAR
CHEBI:25667 biolink:ChemicalSubstance oleoyl group MetaCyc:Oleoyl-lipid|PMID:12481086 phenio.json (9Z)-octadec-9-enoyl|(9Z)-octadecenoyl group|(Z)-octadec-9-enoyl|Ole|cis-9-octadecenoyl|oleoyl|oleoyl group http://purl.obolibrary.org/obo/CHEBI_25667 3_STAR
CHEBI:2567 biolink:ChemicalSubstance alendronic acid A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups. CAS:66376-36-1|DrugBank:DB00630|Drug_Central:112|HMDB:HMDB0001915|KEGG:C07752|KEGG:D07119|LINCS:LSM-5831|MetaCyc:ALENDRONATE|PDBeChem:AHD|PMID:12657258|PMID:16626694|PMID:19630066|PMID:24676887|PMID:25315260|PMID:25442070|PMID:25445446|PMID:25461393|PMID:25577217|PMID:25592133|PMID:25595570|PMID:25603732|PMID:25619515|PMID:25636638|PMID:25639838|Patent:BE903519|Patent:US4705651|Reaxys:2275403|Wikipedia:Alendronic_acid phenio.json (4-Amino-1-hydroxybutylidene)bisphosphonic acid|(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonic acid)|Alendronate|Alendronic acid|acide alendronique|acido alendronico|acidum alendronicum|alendronic acid http://purl.obolibrary.org/obo/CHEBI_2567 3_STAR
CHEBI:25675 biolink:ChemicalSubstance oligomycin Any of the 26-membered ring macrolides produced by Streptomyces species that can be toxic to other organisms through their ability to inhibit mitochondrial membrane-bound ATP synthases. Wikipedia:Oligomycin phenio.json oligomycins http://purl.obolibrary.org/obo/CHEBI_25675 3_STAR
CHEBI:25676 biolink:ChemicalSubstance oligopeptide A peptide containing a relatively small number of amino acids. Wikipedia:Oligopeptide phenio.json Oligopeptid|oligopeptides|oligopeptido http://purl.obolibrary.org/obo/CHEBI_25676 3_STAR
CHEBI:25681 biolink:ChemicalSubstance omega-3 fatty acid A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the omega-3 position, i.e., the third bond from the methyl end of the fatty acid. PMID:15129302|PMID:15253883|PMID:15555528|PMID:16741195|PMID:19154523|PMID:19439966|PMID:21975796|PMID:23643471|PMID:24012777|PMID:24122252|PMID:24128563|PMID:24172034|PMID:24211484|PMID:24240437|PMID:24246761|PMID:24281905|PMID:24397938|PMID:24401220|PMID:24418228|Wikipedia:Omega-3_fatty_acid phenio.json n-3 fatty acid|n-3 fatty acids|omega-3 fatty acid|omega-3 fatty acids http://purl.obolibrary.org/obo/CHEBI_25681 3_STAR
CHEBI:2569 biolink:ChemicalSubstance alfentanil A member of the class of piperidines that is piperidine having a 2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl group at the 1-position as well as N-phenylpropanamido- and methoxymethyl groups at the 4-position. CAS:71195-58-9|DrugBank:DB00802|Drug_Central:114|HMDB:HMDB0014940|KEGG:C08005|KEGG:D07122|PMID:11240593|PMID:11999595|PMID:16621415|PMID:23446076|Patent:DE2819873|Patent:US2014005223|Patent:US4167574|Reaxys:1188293|Wikipedia:Alfentanil phenio.json Alfentanyl|N-(1-(2-(4-Ethyl-5-oxo-2-tetrazolin-1-yl)ethyl)-4-(methoxymethyl)-4-piperidyl)propionanilide|N-{1-[2-(4-ethyl-5-oxo-4,5-dihydro-1H-tetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl}-N-phenylpropanamide|alfentanil|alfentanilum http://purl.obolibrary.org/obo/CHEBI_2569 3_STAR
CHEBI:25690 biolink:ChemicalSubstance ommatin phenio.json http://purl.obolibrary.org/obo/CHEBI_25690 1_STAR
CHEBI:25692 biolink:ChemicalSubstance ommochrome phenio.json http://purl.obolibrary.org/obo/CHEBI_25692 1_STAR
CHEBI:25693 biolink:ChemicalSubstance organic heteromonocyclic compound phenio.json organic heteromonocyclic compounds http://purl.obolibrary.org/obo/CHEBI_25693 3_STAR
CHEBI:25696 biolink:ChemicalSubstance organic anion Any organic ion with a net negative charge. phenio.json organic anions http://purl.obolibrary.org/obo/CHEBI_25696 3_STAR
CHEBI:25697 biolink:ChemicalSubstance organic cation Any organic ion with a net positive charge. phenio.json organic cations http://purl.obolibrary.org/obo/CHEBI_25697 3_STAR
CHEBI:25698 biolink:ChemicalSubstance ether An organooxygen compound with formula ROR, where R is not hydrogen. phenio.json ether|ethers http://purl.obolibrary.org/obo/CHEBI_25698 3_STAR
CHEBI:25699 biolink:ChemicalSubstance organic ion phenio.json organic ions http://purl.obolibrary.org/obo/CHEBI_25699 3_STAR
CHEBI:25701 biolink:ChemicalSubstance organic oxide An oxide in which the oxygen atom is bonded to a carbon atom. phenio.json organic oxides http://purl.obolibrary.org/obo/CHEBI_25701 3_STAR
CHEBI:25702 biolink:ChemicalSubstance organic peroxide Compounds of structure ROOR' in which R and R' are organic groups. phenio.json organic peroxides|peroxides http://purl.obolibrary.org/obo/CHEBI_25702 3_STAR
CHEBI:25703 biolink:ChemicalSubstance organic phosphate Wikipedia:Organophosphate phenio.json organic phosphate|organic phosphate ester|organic phosphate esters|organic phosphates|organophosphate ester|organophosphate esters http://purl.obolibrary.org/obo/CHEBI_25703 3_STAR
CHEBI:25704 biolink:ChemicalSubstance organic sulfate Compounds of the general formula SO3HOR where R is an organyl group phenio.json organic sulfates http://purl.obolibrary.org/obo/CHEBI_25704 3_STAR
CHEBI:25705 biolink:ChemicalSubstance organochlorine insecticide Any organochlorine pesticide that has been used as an insecticide. phenio.json Organochlorinsektizid|chlororganische Insektizide|organochloride insecticide|organochloride insecticides|organochlorine insecticides http://purl.obolibrary.org/obo/CHEBI_25705 3_STAR
CHEBI:25706 biolink:ChemicalSubstance organomercury compound A compound containing at least one carbon-mercury bond. phenio.json organomercury compounds http://purl.obolibrary.org/obo/CHEBI_25706 3_STAR
CHEBI:25707 biolink:ChemicalSubstance organometallic compound A compound having bonds between one or more metal atoms and one or more carbon atoms of an organyl group. phenio.json metalloorganic compounds|metalloorganics|metalorganic compounds|organometallic compounds|organometallics http://purl.obolibrary.org/obo/CHEBI_25707 3_STAR
CHEBI:25708 biolink:ChemicalSubstance organophosphate insecticide phenio.json organophosphate insecticides http://purl.obolibrary.org/obo/CHEBI_25708 3_STAR
CHEBI:2571 biolink:ChemicalSubstance aliphatic alcohol An alcohol derived from an aliphatic compound. KEGG:C02525 phenio.json Aliphatic alcohol|aliphatic alcohols|an aliphatic alcohol http://purl.obolibrary.org/obo/CHEBI_2571 3_STAR
CHEBI:25710 biolink:ChemicalSubstance organophosphorus compound An organophosphorus compound is formally a compound containing at least one carbon-phosphorus bond, but the term is often extended to include esters and thioesters. Wikipedia:Organophosphorus_compound phenio.json organophosphorus compound|organophosphorus compounds http://purl.obolibrary.org/obo/CHEBI_25710 3_STAR
CHEBI:25711 biolink:ChemicalSubstance organophosphorus insecticide phenio.json organophosphorus insecticides http://purl.obolibrary.org/obo/CHEBI_25711 3_STAR
CHEBI:25712 biolink:ChemicalSubstance organoselenium compound An organoselenium compound is a compound containing at least one carbon-selenium bond. phenio.json organoselenium compound|organoselenium compounds http://purl.obolibrary.org/obo/CHEBI_25712 3_STAR
CHEBI:25713 biolink:ChemicalSubstance organosilicon compound An organosilicon compound is a compound containing at least one carbon-silicon bond. phenio.json organosilicon compound|organosilicon compounds|silicoorganic compounds http://purl.obolibrary.org/obo/CHEBI_25713 3_STAR
CHEBI:25715 biolink:ChemicalSubstance organothiophosphate insecticide phenio.json organophosphorothioate insecticide|organothiophosphate insecticides http://purl.obolibrary.org/obo/CHEBI_25715 3_STAR
CHEBI:25716 biolink:ChemicalSubstance organothiophosphorus compound An organothiophosphorus compound is an organophosphorus compound which contains a phosphorus-sulfur bond. phenio.json organothiophosphorus compounds http://purl.obolibrary.org/obo/CHEBI_25716 3_STAR
CHEBI:25717 biolink:ChemicalSubstance organotin compound phenio.json organotin compounds|stannanes http://purl.obolibrary.org/obo/CHEBI_25717 3_STAR
CHEBI:25718 biolink:ChemicalSubstance ornithine derivative A non-proteinogenic amino acid derivative resulting from reaction of ornithine at the amino group, the carboxy group, or the side-chain amino group, or from the replacement of any hydrogen of ornithine by a heteroatom. The definition normally excludes peptides containing ornithine residues. phenio.json ornithine derivatives http://purl.obolibrary.org/obo/CHEBI_25718 3_STAR
CHEBI:25722 biolink:ChemicalSubstance orotidine A nucleoside formed by attaching orotic acid to a ribose ring via a beta-N(1)-glycosidic bond. CAS:314-50-1|PMID:14853953|PMID:23555823|Reaxys:47461 phenio.json 3-Ribofuranosylorotic acid|6-Carboxyuridine http://purl.obolibrary.org/obo/CHEBI_25722 3_STAR
CHEBI:25728 biolink:ChemicalSubstance osmolyte A solute used by a cell under water stress to maintain cell volume. phenio.json osmolytes http://purl.obolibrary.org/obo/CHEBI_25728 3_STAR
CHEBI:25741 biolink:ChemicalSubstance oxide An oxide is a chemical compound of oxygen with other chemical elements. phenio.json oxide|oxides http://purl.obolibrary.org/obo/CHEBI_25741 3_STAR
CHEBI:25747 biolink:ChemicalSubstance oxidized luciferins phenio.json http://purl.obolibrary.org/obo/CHEBI_25747 1_STAR
CHEBI:25750 biolink:ChemicalSubstance oxime Compounds of structure R2C=NOH derived from condensation of aldehydes or ketones with hydroxylamine. Oximes from aldehydes may be called aldoximes; those from ketones may be called ketoximes. phenio.json oxime|oximes http://purl.obolibrary.org/obo/CHEBI_25750 3_STAR
CHEBI:25753 biolink:ChemicalSubstance oxo-5beta-cholanic acid phenio.json oxo-5beta-cholanic acid|oxo-5beta-cholanic acids http://purl.obolibrary.org/obo/CHEBI_25753 3_STAR
CHEBI:25754 biolink:ChemicalSubstance oxo carboxylic acid Any compound that has an aldehydic or ketonic group as well as a carboxylic acid group in the same molecule. phenio.json oxo acids|oxo carboxylic acids http://purl.obolibrary.org/obo/CHEBI_25754 3_STAR
CHEBI:2578 biolink:ChemicalSubstance Alkannin CAS:517-88-4|KEGG:C10292|KNApSAcK:C00002787 phenio.json Alkannin http://purl.obolibrary.org/obo/CHEBI_2578 2_STAR
CHEBI:25781 biolink:ChemicalSubstance hex-2-enedioate phenio.json http://purl.obolibrary.org/obo/CHEBI_25781 1_STAR
CHEBI:25789 biolink:ChemicalSubstance hexenedioic acid phenio.json hexenedioic acids http://purl.obolibrary.org/obo/CHEBI_25789 3_STAR
CHEBI:25798 biolink:ChemicalSubstance oxopentanoates The conjugate base of any oxopentanoic acid. phenio.json oxopentanoate http://purl.obolibrary.org/obo/CHEBI_25798 3_STAR
CHEBI:25799 biolink:ChemicalSubstance oxopentanoic acid A C5 fatty acid carrying an oxo group at any position. phenio.json oxopentanoic acid|oxovaleric acid http://purl.obolibrary.org/obo/CHEBI_25799 3_STAR
CHEBI:2580 biolink:ChemicalSubstance unsaturated fatty acid anion Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety. phenio.json http://purl.obolibrary.org/obo/CHEBI_2580 3_STAR
CHEBI:25801 biolink:ChemicalSubstance oxoproline A pyrrolidinemonocarboxylic acid consisting of proline bearing a single oxo substituent. phenio.json oxoproline http://purl.obolibrary.org/obo/CHEBI_25801 3_STAR
CHEBI:25805 biolink:ChemicalSubstance oxygen atom KEGG:C00007|WebElements:O phenio.json 8O|O|Sauerstoff|oxigeno|oxygen|oxygene http://purl.obolibrary.org/obo/CHEBI_25805 3_STAR
CHEBI:25806 biolink:ChemicalSubstance oxygen molecular entity phenio.json oxygen molecular entities|oxygen molecular entity http://purl.obolibrary.org/obo/CHEBI_25806 3_STAR
CHEBI:25807 biolink:ChemicalSubstance organooxygen heterocyclic antibiotic phenio.json http://purl.obolibrary.org/obo/CHEBI_25807 1_STAR
CHEBI:25810 biolink:ChemicalSubstance oxopurine phenio.json oxopurines http://purl.obolibrary.org/obo/CHEBI_25810 3_STAR
CHEBI:25812 biolink:ChemicalSubstance ozone An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs. CAS:10028-15-6|Gmelin:1101|HMDB:HMDB0035409|MolBase:931|PMID:10205911|PMID:10226494|PMID:10552743|PMID:11029342|PMID:11203434|PMID:11568152|PMID:12509241|PMID:15598576|PMID:15963550|PMID:1717074|PMID:17674823|PMID:18250191|PMID:18699586|PMID:19519548|PMID:19580672|PMID:19723209|PMID:19827485|PMID:20477724|PMID:23488636|PMID:23501341|PMID:23517299|PMID:23556239|PMID:24001808|PMID:24176344|PMID:24188305|PMID:7763188|PMID:8255146|PMID:9202716|Reaxys:4921393|Wikipedia:Ozone phenio.json O3|Ozon|Trisauerstoff|[OO2]|ozone|ozono|trioxygen|trioxygene http://purl.obolibrary.org/obo/CHEBI_25812 3_STAR
CHEBI:25822 biolink:ChemicalSubstance p-cumate A cumate that is the conjugate base of p-cumic acid. KEGG:C06578|Reaxys:3904935|UM-BBD_compID:c0378 phenio.json 4-(1-methylethyl)benzoate|4-(propan-2-yl)benzoate|4-isopropylbenzoate|p-Cumate|p-cumate http://purl.obolibrary.org/obo/CHEBI_25822 3_STAR
CHEBI:25826 biolink:ChemicalSubstance p-menthane Beilstein:1900617|CAS:99-82-1|LIPID_MAPS_instance:LMPR0102090000 phenio.json 1-isopropyl-4-methylcyclohexane|1-methyl-4-(1-methylethyl)-cyclohexane|1-methyl-4-(propan-2-yl)cyclohexane|p-Menthan|p-menthane|para-menthane http://purl.obolibrary.org/obo/CHEBI_25826 3_STAR
CHEBI:25830 biolink:ChemicalSubstance p-quinones A quinone in which the two oxo groups of the quinone are located para to each other on the 6-membered quinonoid ring. phenio.json p-quinone|para-quinones http://purl.obolibrary.org/obo/CHEBI_25830 3_STAR
CHEBI:25835 biolink:ChemicalSubstance hexadecanoate ester A fatty acid ester obtained by condensation of the carboxy group of palmitic acid with a hydroxy group of an alcohol or phenol. phenio.json hexadecanoate ester|hexadecanoate esters|palmitate ester|palmitate esters|palmitic acid ester|palmitic acid esters http://purl.obolibrary.org/obo/CHEBI_25835 3_STAR
CHEBI:258351 biolink:ChemicalSubstance practolol N-(4-Hydroxyphenyl)acetamide in which the hydrogen of the phenolic hydroxy group is substituted by a 3-(isopropylaminoamino)-2-hydroxypropyl group. A selective beta blocker, it has been used in the emergency treatment of cardiac arrhythmias. CAS:6673-35-4|DrugBank:DB01297|Drug_Central:3486|HMDB:HMDB0015411|KEGG:C11696|KEGG:D05587|LINCS:LSM-1531|PMID:6827543|Patent:US3408387|Wikipedia:Practolol phenio.json (+-)-practolol|1-(4-acetamidophenoxy)-3-isopropylamino-2-propanol|4'-(2-hydroxy-3-(isopropylamino)propoxy)acetanilide|N-(4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)phenyl)acetamide|N-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide|practolol|practololum http://purl.obolibrary.org/obo/CHEBI_258351 3_STAR
CHEBI:25838 biolink:ChemicalSubstance palmitoyl amino acid phenio.json http://purl.obolibrary.org/obo/CHEBI_25838 1_STAR
CHEBI:25840 biolink:ChemicalSubstance palmitoyl-L-cysteine phenio.json http://purl.obolibrary.org/obo/CHEBI_25840 1_STAR
CHEBI:25845 biolink:ChemicalSubstance pantetheines phenio.json http://purl.obolibrary.org/obo/CHEBI_25845 1_STAR
CHEBI:25848 biolink:ChemicalSubstance pantothenic acids A class of amides formed from pantoic acid and beta-alanine and its derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_25848 3_STAR
CHEBI:25858 biolink:ChemicalSubstance 1,7-dimethylxanthine A dimethylxanthine having the two methyl groups located at positions 1 and 7. It is a metabolite of caffeine and theobromine in animals. CAS:611-59-6|HMDB:HMDB0001860|KEGG:C13747|LINCS:LSM-20962|MetaCyc:1-7-DIMETHYLXANTHINE|PMID:10416066|PMID:10572151|PMID:10593655|PMID:10877011|PMID:11090584|PMID:1128545|PMID:12110375|PMID:16870158|PMID:17655324|PMID:18621927|PMID:20004571|PMID:20614853|PMID:20853468|PMID:21380987|PMID:22770225|PMID:2882985|PMID:3371146|PMID:3798364|PMID:7920690|PMID:7977734|PMID:8529334|PMID:9920286|Reaxys:197907|Wikipedia:Paraxanthine phenio.json 1,7-Dimethylxanthine|1,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione|1,7-dimethylxanthine|3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione|Paraxanthine|p-Xanthine http://purl.obolibrary.org/obo/CHEBI_25858 3_STAR
CHEBI:25863 biolink:ChemicalSubstance pelargonidin An anthocyanidin cation that is flavylium substituted by a hydroxy groups at positions 3, 5, 7 and 4'. CAS:134-04-3|CAS:7690-51-9|KEGG:C05904|KNApSAcK:C00007232|LIPID_MAPS_instance:LMPK12010003|PMID:15588587|PMID:23419638|Reaxys:1688614|Wikipedia:Pelargonidin phenio.json 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium|3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromenylium|pelargonidin http://purl.obolibrary.org/obo/CHEBI_25863 3_STAR
CHEBI:25865 biolink:ChemicalSubstance penicillanic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_25865 3_STAR
CHEBI:25872 biolink:ChemicalSubstance pentacyclic triterpenoid phenio.json pentacyclic triterpenoids http://purl.obolibrary.org/obo/CHEBI_25872 3_STAR
CHEBI:25876 biolink:ChemicalSubstance pentadienoic acid Any 5-carbon fatty acid containing two double bonds. phenio.json butadiene-1-carboxylic acid|butadiene-1-carboxylic acids|pentadienoic acid http://purl.obolibrary.org/obo/CHEBI_25876 3_STAR
CHEBI:25878 biolink:ChemicalSubstance pentaerythritol nitrate phenio.json http://purl.obolibrary.org/obo/CHEBI_25878 1_STAR
CHEBI:25879 biolink:ChemicalSubstance pentaerythritol tetranitrate A pentaerythritol nitrate in which all four hydroxy groups of pentaerythritol have been converted to the corresponding nitrate ester. It is a vasodilator with properties similar to those of glyceryl trinitrate, but with a more prolonged duration of action, and is used for treatment of angina pectoris. It is also one of the most powerful high explosives known and is a component of the plastic explosive known as Semtex. CAS:78-11-5|Drug_Central:2087|KEGG:D01721|Reaxys:1716886|Wikipedia:Pentaerythritol_tetranitrate phenio.json 1,3-dinitrato-2,2-bis(nitratomethyl)propane|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate|2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester|2,2-bis(hydroxymethyl)-1,3-propanediol tetranitrate|3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate|PENT|PETN|TEN|corpent|neopentanetetrayl nitrate|nitropenta|nitropentaerythrite|nitropentaerythritol|pentaerithrityl tetranitrate|pentaerithrityli tetranitras|pentaerythritol tetranitrate|pentaerythritylium tetranitricum|penthrite|tetranitrate de pentaerithrityle|tetranitrato de pentaeritritilo|tetranitropentaerythritol http://purl.obolibrary.org/obo/CHEBI_25879 3_STAR
CHEBI:2588 biolink:ChemicalSubstance Alkylated DNA KEGG:C00871 phenio.json Alkylated DNA http://purl.obolibrary.org/obo/CHEBI_2588 2_STAR
CHEBI:25881 biolink:ChemicalSubstance pentahydroxycyclohexanone A hydroxycyclohexanone bearing five hydroxy substituents. phenio.json http://purl.obolibrary.org/obo/CHEBI_25881 3_STAR
CHEBI:25883 biolink:ChemicalSubstance pentahydroxyflavone A hydroxyflavone substituted by five hydroxy groups. phenio.json pentahydroxyflavones http://purl.obolibrary.org/obo/CHEBI_25883 3_STAR
CHEBI:25892 biolink:ChemicalSubstance pentanone Any ketone that is pentane substituted by an oxo group at unspecified position. phenio.json pentanones http://purl.obolibrary.org/obo/CHEBI_25892 3_STAR
CHEBI:25897 biolink:ChemicalSubstance pentenoic acid Any C5, straight-chain, monounsaturated fatty acid. phenio.json C5:1|pentenoic acid|pentenoic acids http://purl.obolibrary.org/obo/CHEBI_25897 3_STAR
CHEBI:25898 biolink:ChemicalSubstance pentitol phosphate phenio.json pentitol phosphate|pentitol phosphates http://purl.obolibrary.org/obo/CHEBI_25898 3_STAR
CHEBI:25899 biolink:ChemicalSubstance pentitol An alditol obtained by reduction of any pentose. phenio.json pentitol|pentitols http://purl.obolibrary.org/obo/CHEBI_25899 3_STAR
CHEBI:25900 biolink:ChemicalSubstance aldopentose phosphate phenio.json aldopentose phosphate|aldopentose phosphates http://purl.obolibrary.org/obo/CHEBI_25900 3_STAR
CHEBI:25901 biolink:ChemicalSubstance pentose A five-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldopentose) or a ketone group at position 2 (ketopentose). phenio.json pentose|pentoses http://purl.obolibrary.org/obo/CHEBI_25901 3_STAR
CHEBI:25903 biolink:ChemicalSubstance peptide antibiotic A chemically diverse class of peptides that exhibit antimicrobial properties. MetaCyc:Peptide-Antibiotics|PMID:33398258 phenio.json peptide antibiotics http://purl.obolibrary.org/obo/CHEBI_25903 3_STAR
CHEBI:25904 biolink:ChemicalSubstance peptide ergot alkaloid phenio.json http://purl.obolibrary.org/obo/CHEBI_25904 1_STAR
CHEBI:25905 biolink:ChemicalSubstance peptide hormone Any peptide with hormonal activity in animals, whether endocrine, neuroendocrine, or paracrine. phenio.json peptide hormones|polypeptide hormone http://purl.obolibrary.org/obo/CHEBI_25905 3_STAR
CHEBI:25909 biolink:ChemicalSubstance peptidyl-1-thioglycine phenio.json http://purl.obolibrary.org/obo/CHEBI_25909 1_STAR
CHEBI:25914 biolink:ChemicalSubstance peptidyl-amino acid phenio.json http://purl.obolibrary.org/obo/CHEBI_25914 1_STAR
CHEBI:25921 biolink:ChemicalSubstance peptidyl-glycine phenio.json http://purl.obolibrary.org/obo/CHEBI_25921 1_STAR
CHEBI:25935 biolink:ChemicalSubstance hydroperoxyl CAS:3170-83-0|Gmelin:506 phenio.json (HO2)(.)|HO2(.)|dioxidanyl|hydridodioxygen(.)|hydrogen dioxide|hydroperoxo|hydroperoxy radical|hydroperoxyl|perhydroxyl radical|peroxyl radical http://purl.obolibrary.org/obo/CHEBI_25935 3_STAR
CHEBI:25940 biolink:ChemicalSubstance peroxides Compounds of structure ROOR'. phenio.json a peroxide http://purl.obolibrary.org/obo/CHEBI_25940 3_STAR
CHEBI:25941 biolink:ChemicalSubstance peroxynitrite The nitrogen oxoanion formed by loss of a proton from peroxynitrous acid. CAS:19059-14-4|Gmelin:674445|KEGG:C16845|PMID:29051068|Wikipedia:Peroxynitrite phenio.json [NO(OO)](-)|azoperoxoite|oxidoperoxidonitrate(1-)|peroxynitrite http://purl.obolibrary.org/obo/CHEBI_25941 3_STAR
CHEBI:25942 biolink:ChemicalSubstance peroxynitrous acid CAS:14691-52-2|Gmelin:49207 phenio.json (dioxidanido)oxidonitrogen|HNO(O2)|[NO(OOH)]|azoperoxous acid|dioxidanidooxidonitrogen|peroxynitrous acid http://purl.obolibrary.org/obo/CHEBI_25942 3_STAR
CHEBI:25943 biolink:ChemicalSubstance pesticide synergist A substance that increases the efficacy of a pesticide. phenio.json pesticide synergists http://purl.obolibrary.org/obo/CHEBI_25943 3_STAR
CHEBI:25944 biolink:ChemicalSubstance pesticide Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. Wikipedia:Pesticide phenio.json Pestizid|Pestizide|pesticide|pesticides http://purl.obolibrary.org/obo/CHEBI_25944 3_STAR
CHEBI:25961 biolink:ChemicalSubstance phenanthrenes Any benzenoid aromatic compound that consists of a phenanthrene skeleton and its substituted derivatives thereof. phenio.json http://purl.obolibrary.org/obo/CHEBI_25961 3_STAR
CHEBI:25962 biolink:ChemicalSubstance phenanthrol CAS:30774-95-9 phenio.json phenanthrenol|phenanthrols http://purl.obolibrary.org/obo/CHEBI_25962 3_STAR
CHEBI:25970 biolink:ChemicalSubstance phenoxazine phenio.json phenoxazines http://purl.obolibrary.org/obo/CHEBI_25970 3_STAR
CHEBI:25973 biolink:ChemicalSubstance phenylacetaldehydes phenio.json http://purl.obolibrary.org/obo/CHEBI_25973 1_STAR
CHEBI:25978 biolink:ChemicalSubstance phenylacetic acids Any monocarboxylic acid that is phenylacetic acid or its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_25978 3_STAR
CHEBI:25979 biolink:ChemicalSubstance phenylacetonitrile A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group. CAS:140-29-4|DrugBank:DB04817|Gmelin:68893|KEGG:C16074|KNApSAcK:C00007674|PMID:12770022|PMID:19215138|PMID:20411403|PMID:20490899|PMID:20882316|PMID:21377400|PMID:21452001|Reaxys:385941|UM-BBD_compID:c0647 phenio.json (cyanomethyl)benzene|2-phenylacetonitrile|Benzyl cyanide|alpha-cyanotoluene|alpha-tolunitrile|benzeneacetonitrile|benzyl cyanide|benzyl nitrile|phenylacetonitrile http://purl.obolibrary.org/obo/CHEBI_25979 3_STAR
CHEBI:25985 biolink:ChemicalSubstance phenylalanine derivative An amino acid derivative resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of phenylalanine by a heteroatom. The definition normally excludes peptides containing phenylalanine residues. phenio.json http://purl.obolibrary.org/obo/CHEBI_25985 3_STAR
CHEBI:25987 biolink:ChemicalSubstance phenylalanyl group phenio.json 2-amino-3-phenylpropanoyl|phenylalanyl http://purl.obolibrary.org/obo/CHEBI_25987 3_STAR
CHEBI:25990 biolink:ChemicalSubstance phenylethanolamines An ethanolamine compound having a phenyl (substituted or unsubstituted) group on the carbon bearing the hydroxy substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_25990 3_STAR
CHEBI:25996 biolink:ChemicalSubstance phenylhydrazines Any member of the class of hydrazines carrying a phenyl substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_25996 3_STAR
CHEBI:25998 biolink:ChemicalSubstance 3-phenyllactic acid A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is substituted by a phenyl group. CAS:828-01-3|HMDB:HMDB0000779|MetaCyc:CPD-7999|PMID:22770225|Reaxys:2209791 phenio.json 2-hydroxy-3-phenylpropanoic acid|2-hydroxy-3-phenylpropionic acid|DL-3-phenyllactic acid|DL-beta-phenyllactic acid|beta-phenyllactic acid http://purl.obolibrary.org/obo/CHEBI_25998 3_STAR
CHEBI:26004 biolink:ChemicalSubstance phenylpropanoid Any organic aromatic compound with a structure based on a phenylpropane skeleton. The class includes naturally occurring phenylpropanoid esters, flavonoids, anthocyanins, coumarins and many small phenolic molecules as well as their semi-synthetic and synthetic analogues. Phenylpropanoids are also precursors of lignin. Wikipedia:Phenylpropanoid phenio.json phenylpropanoids http://purl.obolibrary.org/obo/CHEBI_26004 3_STAR
CHEBI:26008 biolink:ChemicalSubstance phenylpyruvate A 2-oxo monocarboxylic acid anion resulting from deprotonation of the carboxy group of either keto- or enol-phenylpyruvic acid. phenio.json phenylpyruvates http://purl.obolibrary.org/obo/CHEBI_26008 3_STAR
CHEBI:26013 biolink:ChemicalSubstance pheromone A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour. PMID:23988175|Wikipedia:Pheromone phenio.json ectohormone|feromone|pheromone|pheromones http://purl.obolibrary.org/obo/CHEBI_26013 3_STAR
CHEBI:26020 biolink:ChemicalSubstance phosphate Salts and esters of phosphoric and oligophosphoric acids and their chalcogen analogues. In inorganic chemistry, the term is also used to describe anionic coordination entities with phosphorus as central atom. phenio.json phosphates http://purl.obolibrary.org/obo/CHEBI_26020 3_STAR
CHEBI:26034 biolink:ChemicalSubstance phosphatidylinositol 3-phosphate A phosphatidylinositol monophosphate carrying the phosphate group at the 3-position. PMID:18927492 phenio.json PI(3)P|PtdIns3P|phosphatidylinositol 3-phosphates http://purl.obolibrary.org/obo/CHEBI_26034 3_STAR
CHEBI:26036 biolink:ChemicalSubstance phosphatidylinositol monophosphate phenio.json phosphatidylinositol monophosphates http://purl.obolibrary.org/obo/CHEBI_26036 3_STAR
CHEBI:26043 biolink:ChemicalSubstance phosphinic ester phenio.json http://purl.obolibrary.org/obo/CHEBI_26043 1_STAR
CHEBI:26044 biolink:ChemicalSubstance phosphinic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_26044 1_STAR
CHEBI:26045 biolink:ChemicalSubstance phosphite ion phenio.json http://purl.obolibrary.org/obo/CHEBI_26045 1_STAR
CHEBI:26051 biolink:ChemicalSubstance phosphoamino acid phenio.json phosphoamino acids http://purl.obolibrary.org/obo/CHEBI_26051 3_STAR
CHEBI:26057 biolink:ChemicalSubstance phosphoglycosphingolipid phenio.json http://purl.obolibrary.org/obo/CHEBI_26057 1_STAR
CHEBI:26066 biolink:ChemicalSubstance phosphonate phenio.json phosphonates http://purl.obolibrary.org/obo/CHEBI_26066 3_STAR
CHEBI:26069 biolink:ChemicalSubstance phosphonic acids HP(=O)(OH)2 (phosphonic acid) and its P-substituted derivatives. phenio.json phosphonic acids http://purl.obolibrary.org/obo/CHEBI_26069 3_STAR
CHEBI:2607 biolink:ChemicalSubstance Aloe emodin A dihydroxyanthraquinone that is chrysazin carrying a hydroxymethyl group at position 3. It has been isolated from plant species of the genus Aloe. CAS:481-72-1|HMDB:HMDB0030829|KEGG:C10294|KNApSAcK:C00002789|LIPID_MAPS_instance:LMPK13040002|PMID:22931417|PMID:24685589|PMID:24707862|Patent:US4670265|Reaxys:2059062|Wikipedia:Aloe_emodin phenio.json 1,8-Dihydroxy-3-hydroxymethylanthraquinone|1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione|3-(Hydroxymethyl)chrysazin|Aloe-emodin|Aloeemodin|Rhabarberone http://purl.obolibrary.org/obo/CHEBI_2607 3_STAR
CHEBI:26073 biolink:ChemicalSubstance phosphopantetheine phenio.json phosphopantetheines http://purl.obolibrary.org/obo/CHEBI_26073 3_STAR
CHEBI:26078 biolink:ChemicalSubstance phosphoric acid A phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. CAS:7664-38-2|Drug_Central:4478|Gmelin:2000|HMDB:HMDB0002142|KEGG:C00009|KEGG:D05467|KNApSAcK:C00007408|PMID:11455380|PMID:15630224|PMID:17439666|PMID:17518491|PMID:22282755|PMID:22333268|PMID:22381614|PMID:22401268|Reaxys:1921286|Wikipedia:Phosphoric_Acid phenio.json H3PO4|Orthophosphoric acid|Phosphate|Phosphoric acid|Phosphorsaeure|Phosphorsaeureloesungen|[PO(OH)3]|acide phosphorique|acidum phosphoricum|orthophosphoric acid|phosphoric acid|tetraoxophosphoric acid|trihydrogen tetraoxophosphate(3-)|trihydroxidooxidophosphorus http://purl.obolibrary.org/obo/CHEBI_26078 3_STAR
CHEBI:26079 biolink:ChemicalSubstance phosphoric acid derivative phenio.json http://purl.obolibrary.org/obo/CHEBI_26079 1_STAR
CHEBI:26082 biolink:ChemicalSubstance phosphorus molecular entity phenio.json phosphorus molecular entities http://purl.obolibrary.org/obo/CHEBI_26082 3_STAR
CHEBI:26087 biolink:ChemicalSubstance photosynthetic electron-transport chain inhibitor phenio.json http://purl.obolibrary.org/obo/CHEBI_26087 1_STAR
CHEBI:26089 biolink:ChemicalSubstance photosystem-II inhibitor phenio.json http://purl.obolibrary.org/obo/CHEBI_26089 1_STAR
CHEBI:26092 biolink:ChemicalSubstance phthalate phenio.json phthalates http://purl.obolibrary.org/obo/CHEBI_26092 3_STAR
CHEBI:26094 biolink:ChemicalSubstance benzenedicarboxylic acid A member of the class of benzoic acids in that consists of benzene substituted by two carboxy groups (A closed class). phenio.json benzenedicarboxylic acid http://purl.obolibrary.org/obo/CHEBI_26094 3_STAR
CHEBI:26106 biolink:ChemicalSubstance phylloquinones phenio.json http://purl.obolibrary.org/obo/CHEBI_26106 1_STAR
CHEBI:2611 biolink:ChemicalSubstance alprazolam A member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectively. Alprazolam is only found in individuals that have taken this drug. CAS:28981-97-7|DrugBank:DB00404|Drug_Central:136|HMDB:HMDB0014548|KEGG:C06817|KEGG:D00225|LINCS:LSM-5460|PMID:10350361|PMID:10443648|PMID:10631626|PMID:10963939|PMID:10997633|PMID:11304902|PMID:11824768|PMID:12035937|PMID:15647704|PMID:15725773|PMID:15830221|PMID:16103667|PMID:16139113|PMID:16572266|PMID:17631455|PMID:24361783|PMID:24464531|PMID:24629629|PMID:24840273|PMID:24977401|PMID:25032127|PMID:25139178|PMID:25199955|PMID:25300043|PMID:25427652|PMID:25581490|PMID:25620535|PMID:7907366|PMID:9050091|Reaxys:1223125|VSDB:2960|Wikipedia:Alprazolam phenio.json 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo(4,3-a)(1,4)benzodiazepine|8-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine|Alprazolam|Xanax http://purl.obolibrary.org/obo/CHEBI_2611 3_STAR
CHEBI:26115 biolink:ChemicalSubstance phytoalexin A toxin made by a plant that acts against an organism attacking it. phenio.json phytoalexins http://purl.obolibrary.org/obo/CHEBI_26115 3_STAR
CHEBI:26116 biolink:ChemicalSubstance phytochromobilin A member of the class of bilins which functions as the chromophore of light-sensing phytochromes in plants. MetaCyc:Phytochromobilins|PMID:11263892|PMID:1634523|PMID:18658149|PMID:21192668|PMID:24261565|PMID:7744741 phenio.json 3-{2-[(Z)-{3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-ylidene}methyl]-5-[(Z)-{(3Z,4R)-3-[(1Z)-ethylidene]-4-methyl-5-oxopyrrolidin-2-ylidene}methyl]-4-methyl-1H-pyrrol-3-yl}propanoic acid|phytochromobilin http://purl.obolibrary.org/obo/CHEBI_26116 3_STAR
CHEBI:26118 biolink:ChemicalSubstance phytoecdysteroid phenio.json phytoecdysteroids http://purl.obolibrary.org/obo/CHEBI_26118 3_STAR
CHEBI:26119 biolink:ChemicalSubstance phytoene phenio.json 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene http://purl.obolibrary.org/obo/CHEBI_26119 3_STAR
CHEBI:26124 biolink:ChemicalSubstance phytosteroid phenio.json phytosteroids http://purl.obolibrary.org/obo/CHEBI_26124 3_STAR
CHEBI:26125 biolink:ChemicalSubstance phytosterols Sterols similar to cholesterol which occur in plants and vary only in carbon side chains and/or presence or absence of a double bond. Wikipedia:Phytosterol phenio.json http://purl.obolibrary.org/obo/CHEBI_26125 3_STAR
CHEBI:26127 biolink:ChemicalSubstance phytylnaphthoquinone phenio.json http://purl.obolibrary.org/obo/CHEBI_26127 1_STAR
CHEBI:2613 biolink:ChemicalSubstance Altanserin CAS:76330-71-7|KEGG:C11734|LINCS:LSM-1987 phenio.json Altanserin http://purl.obolibrary.org/obo/CHEBI_2613 2_STAR
CHEBI:26130 biolink:ChemicalSubstance biological pigment An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light. phenio.json pigments http://purl.obolibrary.org/obo/CHEBI_26130 3_STAR
CHEBI:26133 biolink:ChemicalSubstance pinane monoterpenoid A monoterpenoid based on a pinane skeleton (2,6,6-trimethylbicyclo[3.1.1]heptane) skeleton and its substituted derivatives. phenio.json pinane monoterpenoids http://purl.obolibrary.org/obo/CHEBI_26133 3_STAR
CHEBI:26144 biolink:ChemicalSubstance piperazines phenio.json http://purl.obolibrary.org/obo/CHEBI_26144 3_STAR
CHEBI:26145 biolink:ChemicalSubstance piperideine phenio.json tetrahydropyridine http://purl.obolibrary.org/obo/CHEBI_26145 3_STAR
CHEBI:26147 biolink:ChemicalSubstance piperidine alkaloid phenio.json piperidine alkaloids http://purl.obolibrary.org/obo/CHEBI_26147 3_STAR
CHEBI:26148 biolink:ChemicalSubstance piperidinemonocarboxylic acid Any member of the class of piperidines in which one of the carbons of the piperidine ring is substituted by a carboxy group. phenio.json piperidinemonocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_26148 3_STAR
CHEBI:26151 biolink:ChemicalSubstance piperidines phenio.json http://purl.obolibrary.org/obo/CHEBI_26151 3_STAR
CHEBI:26153 biolink:ChemicalSubstance p-menthadien-3-one phenio.json http://purl.obolibrary.org/obo/CHEBI_26153 1_STAR
CHEBI:26155 biolink:ChemicalSubstance plant growth regulator A chemical, natural or artificial, that can affect the rate of growth of a plant. phenio.json plant growth regulators http://purl.obolibrary.org/obo/CHEBI_26155 3_STAR
CHEBI:26157 biolink:ChemicalSubstance plant growth stimulator phenio.json plant growth stimulators http://purl.obolibrary.org/obo/CHEBI_26157 3_STAR
CHEBI:261649 biolink:ChemicalSubstance bismuth subsalicylate A bismuth salt of salicylic acid. CAS:14882-18-9|DrugBank:DB01294|Drug_Central:4257|Gmelin:314795|KEGG:C07870|KEGG:D00728|PMID:10425101 phenio.json 2-Hydroxy-benzo[1,3,2]dioxabismin-4-one|2-hydroxy-4H-1,3,2-benzodioxabismin-4-one|Bismuth subsalicylate|Wismutsubsalicylat|basic bismuth salicylate|bismuth oxide salicylate|bismuth oxysalicylate|pink bismuth http://purl.obolibrary.org/obo/CHEBI_261649 3_STAR
CHEBI:26167 biolink:ChemicalSubstance polar amino acid Any amino acid whose side chain is capable of forming one or more hydrogen bonds. MetaCyc:Polar-amino-acids|PMID:12016058 phenio.json polar amino acid|polar amino acids|polar amino-acid|polar amino-acids http://purl.obolibrary.org/obo/CHEBI_26167 3_STAR
CHEBI:26172 biolink:ChemicalSubstance poly(ribitol phosphate)s phenio.json http://purl.obolibrary.org/obo/CHEBI_26172 3_STAR
CHEBI:26174 biolink:ChemicalSubstance poly(N-acetyllactosamine) An aminoglycan composed of a backbone of N-acetyllactosamine repeating units that are joined to each other via beta-(1->3)-linkages. PMID:10992504|PMID:15459394 phenio.json (1->3)-[beta-D-Galp-(1->4)-beta-D-GlcpNAc]n|i-Antigen http://purl.obolibrary.org/obo/CHEBI_26174 3_STAR
CHEBI:26177 biolink:ChemicalSubstance polyene antibiotic A family of antibiotics containing a conjugated polyene moiety, usuallly isolated from some species of Streptomyces. phenio.json polyene antibiotics http://purl.obolibrary.org/obo/CHEBI_26177 3_STAR
CHEBI:26178 biolink:ChemicalSubstance polyester macromolecule A macromolecule composed of units connected by carboxylic ester (-O-CO-) linkages. Beilstein:8192505 phenio.json polyester|polyesters http://purl.obolibrary.org/obo/CHEBI_26178 3_STAR
CHEBI:26179 biolink:ChemicalSubstance polyether antibiotic phenio.json http://purl.obolibrary.org/obo/CHEBI_26179 1_STAR
CHEBI:2618 biolink:ChemicalSubstance amantadine A member of the class of adamantanes that is used as an antiviral and antiparkinson drug. CAS:768-94-5|DrugBank:DB00915|Drug_Central:144|Gmelin:27066|KEGG:C06818|KEGG:D07441|PMID:23011311|PMID:24371305|PMID:24427376|Reaxys:2204333|VSDB:2961|Wikipedia:Amantadine phenio.json 1-adamantanamine|1-adamantylamine|1-aminoadamantane|Amantadine|Amantidine|Aminoadamantane|Viregyt|Virosol|adamantan-1-ylamine|amantadina|amantadine|amantadinum|tricyclo[3.3.1.1(3,7)]decan-1-amine|tricyclo[3.3.1.1(3,7)]decan-1-ylamine|tricyclo[3.3.1.1(3,7)]decane-1-amine http://purl.obolibrary.org/obo/CHEBI_2618 3_STAR
CHEBI:26185 biolink:ChemicalSubstance polyprenyl glycosyl phosphate phenio.json polyprenyl glycosyl phosphates http://purl.obolibrary.org/obo/CHEBI_26185 3_STAR
CHEBI:26186 biolink:ChemicalSubstance polyprenyl phospho oligosaccharide phenio.json polyprenyl phospho oligosaccharides http://purl.obolibrary.org/obo/CHEBI_26186 3_STAR
CHEBI:26187 biolink:ChemicalSubstance polyprenyl phospho carbohydrate phenio.json polyprenyl phospho carbohydrates http://purl.obolibrary.org/obo/CHEBI_26187 3_STAR
CHEBI:26188 biolink:ChemicalSubstance polyketide Natural and synthetic compounds containing alternating carbonyl and methylene groups ('beta-polyketones'), biogenetically derived from repeated condensation of acetyl coenzyme A (via malonyl coenzyme A), and usually the compounds derived from them by further condensations, etc. Considered by many to be synonymous with the less frequently used terms acetogenins and ketides. phenio.json polyketide|polyketides http://purl.obolibrary.org/obo/CHEBI_26188 3_STAR
CHEBI:26191 biolink:ChemicalSubstance polyol A compound that contains two or more hydroxy groups. phenio.json polyols http://purl.obolibrary.org/obo/CHEBI_26191 3_STAR
CHEBI:26195 biolink:ChemicalSubstance polyphenol Members of the class of phenols that contain 2 or more benzene rings each of which is substituted by at least one hydroxy group. Wikipedia:Polyphenol phenio.json polyphenols http://purl.obolibrary.org/obo/CHEBI_26195 3_STAR
CHEBI:26196 biolink:ChemicalSubstance polyphenylpropanoid phenio.json http://purl.obolibrary.org/obo/CHEBI_26196 1_STAR
CHEBI:26199 biolink:ChemicalSubstance polyprenol Any member of the class of prenols possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of more than one isoprene units. KEGG:C06081 phenio.json polyprenols http://purl.obolibrary.org/obo/CHEBI_26199 3_STAR
CHEBI:26201 biolink:ChemicalSubstance polyprenyl group phenio.json http://purl.obolibrary.org/obo/CHEBI_26201 1_STAR
CHEBI:26203 biolink:ChemicalSubstance polyprenol triphosphate phenio.json polyprenol triphosphates http://purl.obolibrary.org/obo/CHEBI_26203 3_STAR
CHEBI:26207 biolink:ChemicalSubstance polyterpenoid A polymeric terpenoid having a C5n skeleton, where n is greater than 8. phenio.json politerpenoides|polyterpenoids http://purl.obolibrary.org/obo/CHEBI_26207 3_STAR
CHEBI:26208 biolink:ChemicalSubstance polyunsaturated fatty acid Any fatty acid containing more than one double bond. Acids in this group are reported to have cardioprotective effects; and levels are lowered in chronic fatigue syndrome. PMID:14977874|PMID:16380690|PMID:17891522 phenio.json PUFA|PUFAs|polyunsaturated fatty acids http://purl.obolibrary.org/obo/CHEBI_26208 3_STAR
CHEBI:26211 biolink:ChemicalSubstance poriferastane phenio.json poriferastane http://purl.obolibrary.org/obo/CHEBI_26211 3_STAR
CHEBI:26214 biolink:ChemicalSubstance porphyrins Natural pigments containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure. Wikipedia:Porphyrin phenio.json porphyrins http://purl.obolibrary.org/obo/CHEBI_26214 3_STAR
CHEBI:26216 biolink:ChemicalSubstance potassium atom CAS:7440-09-7|DrugBank:DB01345|KEGG:C00238|WebElements:K phenio.json 19K|K|Kalium|kalium|potasio|potassium http://purl.obolibrary.org/obo/CHEBI_26216 3_STAR
CHEBI:26217 biolink:ChemicalSubstance potassium molecular entity phenio.json potassium molecular entities|potassium molecular entity http://purl.obolibrary.org/obo/CHEBI_26217 3_STAR
CHEBI:26218 biolink:ChemicalSubstance potassium salt Any alkali metal salt having potassium(1+) as the cation. phenio.json Kaliumsalz|Kaliumsalze|potassium salts http://purl.obolibrary.org/obo/CHEBI_26218 3_STAR
CHEBI:2622 biolink:ChemicalSubstance amarogentin A secoiridoid glycoside that consists of (4aS,5R,6R)-5-ethenyl-6-hydroxy-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-1-one having a 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranosyl group attached at position 6 via a glycosidic linkage. CAS:21018-84-8|KEGG:C09767|KNApSAcK:C00003070|PMID:8720386|Reaxys:74677|Wikipedia:Amarogentin phenio.json (4aR)-5t-ethenyl-6c-[O(2)-(3,5,3'-trihydroxybiphenyl-2-ylcarbonyl)-beta-D-glucopyranosyloxy]-4,4ar,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one|(4aS,5R,6S)-5-ethenyl-1-oxo-4,4a,5,6-tetrahydro-1H,3H-pyrano[3,4-c]pyran-6-yl- 2-O-[(3,3',5-trihydroxybiphenyl-2-yl)carbonyl]-beta-D-glucopyranoside|Amarogentin|sweroside-2'-(3'',5'',3'''-trihydroxydiphenyl)-2''-carboxylic acid ester http://purl.obolibrary.org/obo/CHEBI_2622 3_STAR
CHEBI:26228 biolink:ChemicalSubstance precorrin Any of the intermediates in the biosynthesis of vitamin B12 from uroporphyrinogen III that lie on the pathway before the formation of the first corrin macrocycle. The figure after 'precorrin' corresponds to the number of C-methyl groups introduced into the tetrapyrrole framework. phenio.json precorrins http://purl.obolibrary.org/obo/CHEBI_26228 3_STAR
CHEBI:2624 biolink:ChemicalSubstance amastatin A tetrapeptide comprising (2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl, L-valyl, L-valyl and L-aspartic acid units joined in sequence CAS:67655-94-1|KEGG:C01552|KNApSAcK:C00018188|PMID:18440066|Reaxys:24145991|Reaxys:4727847 phenio.json Amastatin|Leu[1psi,CHOHCONH]ValValAsp|N-[(2S,3R)-3-amino-2-hydroxy-5-methylhexanoyl]-L-valyl-L-valyl-L-aspartic acid http://purl.obolibrary.org/obo/CHEBI_2624 3_STAR
CHEBI:26244 biolink:ChemicalSubstance prenols Any alcohol possessing the general formula H-[CH2C(Me)=CHCH2]nOH in which the carbon skeleton is composed of one or more isoprene units (biogenetic precursors of the isoprenoids). PMID:3113948|PMID:4207873 phenio.json prenols http://purl.obolibrary.org/obo/CHEBI_26244 3_STAR
CHEBI:26248 biolink:ChemicalSubstance prenyl group phenio.json 3-methyl-2-butenyl group|3-methylbut-2-en-1-yl|dimethylallyl|gamma,gamma-dimethylallyl http://purl.obolibrary.org/obo/CHEBI_26248 3_STAR
CHEBI:26249 biolink:ChemicalSubstance prenyl groups phenio.json http://purl.obolibrary.org/obo/CHEBI_26249 1_STAR
CHEBI:26250 biolink:ChemicalSubstance prenol phosphate phenio.json prenol phosphates http://purl.obolibrary.org/obo/CHEBI_26250 3_STAR
CHEBI:26253 biolink:ChemicalSubstance polyprenylhydroquinone A hydroquinone compound having a polyprenyl substituent in an unspecified position. phenio.json http://purl.obolibrary.org/obo/CHEBI_26253 3_STAR
CHEBI:26254 biolink:ChemicalSubstance prenylnaphthoquinone Any napthoquinone that is substituted at position 2 by a prenyl or polyprenyl group. The term also includes compounds that are functionalised on the prenyl or polyprenyl chain (e.g. by a hydroxy group). phenio.json prenylnaphthoquinones http://purl.obolibrary.org/obo/CHEBI_26254 3_STAR
CHEBI:26255 biolink:ChemicalSubstance prenylquinone A quinone substituted by a polyprenyl-derived side-chain. Prenylquinones occur in all living cells. Due to their amphiphilic character, they are mainly located in biological membranes where they function as electron and proton carriers in the photosynthetic and respiratory electron transport chains. Some prenylquinones also perform more specialised roles sucy as antioxidants and enzyme cofactors. Prenylquinones are classified according to ring structure: the main classes are menaquinones, phylloquinones, ubiquinones and plastoquinones. PMID:19928587|PMID:21777468|PMID:21844348|PMID:22371323|PMID:3985624 phenio.json polyprenylquinone|polyprenylquinones|prenylquinones http://purl.obolibrary.org/obo/CHEBI_26255 3_STAR
CHEBI:26267 biolink:ChemicalSubstance proanthocyanidin A flavonoid oligomer obtained by the the condensation of two or more units of hydroxyflavans. Wikipedia:Proanthocyanidin phenio.json condensed tannins|polyflavonoid tannins|proanthocyanidins http://purl.obolibrary.org/obo/CHEBI_26267 3_STAR
CHEBI:26271 biolink:ChemicalSubstance proline An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. CAS:609-36-9|Gmelin:26927|KEGG:C16435|PMID:16534801|PMID:21400017|PMID:21903295|PMID:22264337|PMID:22280966|PMID:22770225|Reaxys:80809|Wikipedia:Proline phenio.json DL-Proline|Hpro|Prolin|prolina|proline|pyrrolidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_26271 3_STAR
CHEBI:26273 biolink:ChemicalSubstance proline derivative An amino acid derivative resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of proline by a heteroatom. The definition normally excludes peptides containing proline residues. phenio.json proline derivatives http://purl.obolibrary.org/obo/CHEBI_26273 3_STAR
CHEBI:26279 biolink:ChemicalSubstance propan-1-ols A primary alcohol based on a propan-1-olskeleton and its substituted derivatives. phenio.json propan-1-ols http://purl.obolibrary.org/obo/CHEBI_26279 3_STAR
CHEBI:2628 biolink:ChemicalSubstance ambenonium chloride A symmetrical oxalamide-based bis-quaternary ammonium salt having ethyl and 2-chlorobenzyl groups attached to the nitrogens. Beilstein:7563564|CAS:115-79-7|DrugBank:DB01122|KEGG:D01001|Patent:DE1024517 phenio.json (Oxalylbis(iminoethylene))bis((o-chlorobenzyl)diethylammonium) dichloride|2,2'-[(1,2-dioxoethane-1,2-diyl)diimino]bis[N-(2-chlorobenzyl)-N,N-diethylethanaminium] dichloride|Ambenonium dichloride|Ambestigmin chloride|Chlorure d'ambenonium|Cloruro de ambenonio|N,N'-Bis(2-diethylaminoethyl)oxamide bis(2-chlorobenzyl chloride)|ambenonii chloridum|ambenonium chloride http://purl.obolibrary.org/obo/CHEBI_2628 3_STAR
CHEBI:26282 biolink:ChemicalSubstance propanals An aldehyde based on a propanal skeleton and its derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_26282 3_STAR
CHEBI:26284 biolink:ChemicalSubstance propane-1,2-diols phenio.json http://purl.obolibrary.org/obo/CHEBI_26284 1_STAR
CHEBI:26287 biolink:ChemicalSubstance propane-1,3-diols Any propanediol bearing hydroxy groups at positions 1 and 3. phenio.json http://purl.obolibrary.org/obo/CHEBI_26287 3_STAR
CHEBI:26288 biolink:ChemicalSubstance propanediol phenio.json http://purl.obolibrary.org/obo/CHEBI_26288 1_STAR
CHEBI:26292 biolink:ChemicalSubstance propanones A ketone that is propane carrying at least one oxo substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_26292 3_STAR
CHEBI:26294 biolink:ChemicalSubstance propionyl group phenio.json CH3-CH2-CO-|Pp|propanoyl|propionyl http://purl.obolibrary.org/obo/CHEBI_26294 3_STAR
CHEBI:26296 biolink:ChemicalSubstance propanoyl-CoAs Any short-chain fatty acyl-CoA in which the the fatty acid specified is propanoic acid or its derivatives. phenio.json propionoyl-CoAs http://purl.obolibrary.org/obo/CHEBI_26296 3_STAR
CHEBI:26300 biolink:ChemicalSubstance propenol phenio.json http://purl.obolibrary.org/obo/CHEBI_26300 1_STAR
CHEBI:2631 biolink:ChemicalSubstance amentoflavone A biflavonoid that is obtained by oxidative coupling of two molecules of apigenin resulting in a bond between positions C-3 of the hydroxyphenyl ring and C-8 of the chromene ring. A natural product found particularly in Ginkgo biloba and Hypericum perforatum. CAS:1617-53-4|HMDB:HMDB0030832|KEGG:C10018|KNApSAcK:C00001015|LIPID_MAPS_instance:LMPK12040009|PMID:11256492|PMID:12372862|PMID:15130600|PMID:16084098|PMID:18298378|Reaxys:380244|Wikipedia:Amentoflavone phenio.json 3',8''-Biapigenin|8-(5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|8-[5-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|Didemethyl-ginkgetin http://purl.obolibrary.org/obo/CHEBI_2631 3_STAR
CHEBI:26333 biolink:ChemicalSubstance prostaglandin Naturally occurring compounds derived from the parent C20 acid, prostanoic acid. CAS:11000-26-3|LIPID_MAPS_class:LMFA0301 phenio.json prostaglandin|prostaglandins http://purl.obolibrary.org/obo/CHEBI_26333 3_STAR
CHEBI:26334 biolink:ChemicalSubstance prostaglandins A phenio.json PGA http://purl.obolibrary.org/obo/CHEBI_26334 3_STAR
CHEBI:26335 biolink:ChemicalSubstance prostaglandins B phenio.json PGB http://purl.obolibrary.org/obo/CHEBI_26335 3_STAR
CHEBI:26336 biolink:ChemicalSubstance prostaglandins C phenio.json PGC http://purl.obolibrary.org/obo/CHEBI_26336 3_STAR
CHEBI:26337 biolink:ChemicalSubstance prostaglandins D phenio.json PGD http://purl.obolibrary.org/obo/CHEBI_26337 3_STAR
CHEBI:26338 biolink:ChemicalSubstance prostaglandins E phenio.json PGE http://purl.obolibrary.org/obo/CHEBI_26338 3_STAR
CHEBI:2634 biolink:ChemicalSubstance amidine Derivatives of oxoacids RnE(=O)OH in which the hydroxy group is replaced by an amino group and the oxo group is replaced by =NR. In organic chemistry an unspecified amidine is commonly a carboxamidine. phenio.json Amidines|amidine|amidines http://purl.obolibrary.org/obo/CHEBI_2634 3_STAR
CHEBI:26340 biolink:ChemicalSubstance prostaglandins F phenio.json PGF http://purl.obolibrary.org/obo/CHEBI_26340 3_STAR
CHEBI:26343 biolink:ChemicalSubstance prostaglandins G phenio.json PGG http://purl.obolibrary.org/obo/CHEBI_26343 3_STAR
CHEBI:26344 biolink:ChemicalSubstance prostaglandins H phenio.json PGH http://purl.obolibrary.org/obo/CHEBI_26344 3_STAR
CHEBI:26345 biolink:ChemicalSubstance prostaglandins I phenio.json PGI http://purl.obolibrary.org/obo/CHEBI_26345 3_STAR
CHEBI:26346 biolink:ChemicalSubstance prostaglandins J phenio.json PGJ http://purl.obolibrary.org/obo/CHEBI_26346 3_STAR
CHEBI:26347 biolink:ChemicalSubstance prostanoid The family of natural prostaglandins and prostaglandin-like compounds including prostacyclins and thromboxanes. phenio.json prostanoid|prostanoids http://purl.obolibrary.org/obo/CHEBI_26347 3_STAR
CHEBI:26348 biolink:ChemicalSubstance prosthetic group A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity. phenio.json groupe prosthetique|prosthetic group|prosthetic groups http://purl.obolibrary.org/obo/CHEBI_26348 3_STAR
CHEBI:26349 biolink:ChemicalSubstance proteochondroitin sulfate phenio.json http://purl.obolibrary.org/obo/CHEBI_26349 1_STAR
CHEBI:26354 biolink:ChemicalSubstance protochlorophyllides phenio.json http://purl.obolibrary.org/obo/CHEBI_26354 1_STAR
CHEBI:26355 biolink:ChemicalSubstance heme b A metalloprotoporphyrin in which the four pyrrole nitrogens of the protoporphyrin moiety are coordinated to iron. It is the most abundant of the heme compounds. CAS:14875-96-8|COMe:MOL000013|ECMDB:ECMDB03178|KEGG:C00032|PDB:3KS0|PDBeChem:HEM|PMID:20546754|PMID:29286160|Wikipedia:Heme_B phenio.json (7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoato)iron|(protoporphyrinato)iron|Haem|Heme B|PROTOPORPHYRIN IX CONTAINING FE|Protoheme|Protoheme IX|[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron|haem b|heme|heme b|protoheme http://purl.obolibrary.org/obo/CHEBI_26355 3_STAR
CHEBI:2636 biolink:ChemicalSubstance amifostine An organic thiophosphate that is the S-phospho derivative of 2-[(3-aminopropyl)amino]ethanethiol. A prodrug for the free thiol, WR-1065, which is used as a cytoprotectant in cancer chemotherapy and radiotherapy. CAS:20537-88-6|DrugBank:DB01143|Drug_Central:156|HMDB:HMDB0015274|KEGG:C06819|LINCS:LSM-4721|PMID:10553165|PMID:10942928|PMID:11013273|PMID:11201306|PMID:11984063|PMID:12005544|PMID:12433814|PMID:12499421|PMID:12561384|PMID:12751907|PMID:14980067|PMID:15380592|PMID:15698860|PMID:15875769|PMID:16465691|PMID:17602063|PMID:18072151|PMID:18549666|PMID:19712749|PMID:20334641|PMID:21347716|PMID:21646919|PMID:22267539|PMID:22402174|PMID:22440042|PMID:22456378|PMID:22496587|PMID:22643562|PMID:22844290|PMID:22878481|PMID:22885239|PMID:22989457|PMID:23040218|PMID:23052919|PMID:23092832|PMID:23401928|PMID:8612469|PMID:8683243|Patent:US3892824|Reaxys:2088122|Wikipedia:Amifostine phenio.json Amifostine|Ethyol|S-{2-[(3-aminopropyl)amino]ethyl} dihydrogen thiophosphate|amifostina|amifostine|amifostinum http://purl.obolibrary.org/obo/CHEBI_2636 3_STAR
CHEBI:26361 biolink:ChemicalSubstance protoporphyrins phenio.json http://purl.obolibrary.org/obo/CHEBI_26361 1_STAR
CHEBI:26366 biolink:ChemicalSubstance pseudouridines phenio.json http://purl.obolibrary.org/obo/CHEBI_26366 3_STAR
CHEBI:26369 biolink:ChemicalSubstance psoralens A furanocoumarin with a 7H-furo[3,2-g]chromen-7-one skeleton and its substituted derivatives thereof. phenio.json psoralenes http://purl.obolibrary.org/obo/CHEBI_26369 3_STAR
CHEBI:2637 biolink:ChemicalSubstance amikacin An amino cyclitol glycoside that is kanamycin A acylated at the N-1 position by a 4-amino-2-hydroxybutyryl group. CAS:37517-28-5|DrugBank:DB00479|Drug_Central:157|HMDB:HMDB0014622|KEGG:C06820|KEGG:D02543|LINCS:LSM-5935|MetaCyc:CPD-14197|PMID:11744283|PMID:15305513|PMID:17365906|PMID:19495517|PMID:19752274|PMID:20195673|PMID:25296102|PMID:25327505|PMID:25339395|PMID:25630642|PMID:8622103|PMID:8622117|PMID:9327246|Patent:DE2234315|Patent:US3781268|Reaxys:5915117|Wikipedia:Amikacin phenio.json (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(6-amino-6-deoxy-alpha-D-glucopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide|1-N-(L(-)-gamma-amino-alpha-hydroxybutyryl)kanamycin A|Amikacin|O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(6-amino-6-deoxy-alpha-D-glucopyranosyl-(1->6))-N(3)-(4-amino-L-2-hydroxybutyryl)-2-deoxy-L-streptamine|amikacin|amikacina|amikacine|amikacinum http://purl.obolibrary.org/obo/CHEBI_2637 3_STAR
CHEBI:26373 biolink:ChemicalSubstance pteridines phenio.json http://purl.obolibrary.org/obo/CHEBI_26373 3_STAR
CHEBI:26374 biolink:ChemicalSubstance pterin CAS:2236-60-4|KEGG:C00715 phenio.json 4-oxopterin|pteridoxamine|pterin http://purl.obolibrary.org/obo/CHEBI_26374 3_STAR
CHEBI:26375 biolink:ChemicalSubstance pterins phenio.json http://purl.obolibrary.org/obo/CHEBI_26375 3_STAR
CHEBI:26377 biolink:ChemicalSubstance pterocarpans Members of the class of benzofurochromene with a 6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene skeleton and its substituted derivatives. They generally bear structural resemblance to isoflavanoids that possess antibiotic activity and are produced by plant tissues in response to infection. They are the 3,4-dihydroderivatives of coumestans. MetaCyc:PTEROCARPANS|Wikipedia:Pterocarpan phenio.json isoflavonoid phytoalexin|isoflavonoid phytoalexins http://purl.obolibrary.org/obo/CHEBI_26377 3_STAR
CHEBI:26381 biolink:ChemicalSubstance p-menth-4(8)-en-3-one A p-menthane monoterpenoid that is cyclohexan-1-one substituted by a methyl group at position 5 and a propan-2-ylidene group at position 2. CAS:15932-80-6|PMID:24506214 phenio.json (+-)-Pulegone|1-Isopropylidene-4-methyl-2-cyclohexanone|1-Methyl-4-isopropylidene-3-cyclohexanone|4(8)-p-Menthen-3-one|5-Methyl-2-(1-methylethylidene)cyclohexanone|5-Methyl-2-isopropylidenecyclohexanone|5-methyl-2-(propan-2-ylidene)cyclohexan-1-one|Pulegone|p-menth-4(8)-en-3-one http://purl.obolibrary.org/obo/CHEBI_26381 3_STAR
CHEBI:26384 biolink:ChemicalSubstance pullulans phenio.json http://purl.obolibrary.org/obo/CHEBI_26384 1_STAR
CHEBI:26385 biolink:ChemicalSubstance purine alkaloid phenio.json purine alkaloids http://purl.obolibrary.org/obo/CHEBI_26385 3_STAR
CHEBI:26386 biolink:ChemicalSubstance purine nucleobase A nucleobase whose skeleton is derived from purine. KEGG:C15587 phenio.json a purine nucleobase|purine bases|purine nucleobase|purine nucleobases http://purl.obolibrary.org/obo/CHEBI_26386 3_STAR
CHEBI:26387 biolink:ChemicalSubstance purine 2'-deoxyribonucleoside diphosphate phenio.json purine 2'-deoxyribonucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26387 3_STAR
CHEBI:26388 biolink:ChemicalSubstance purine 2'-deoxyribonucleoside monophosphate phenio.json purine 2'-deoxyribonucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26388 3_STAR
CHEBI:26389 biolink:ChemicalSubstance purine deoxyribonucleoside triphosphate phenio.json purine deoxyribonucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_26389 3_STAR
CHEBI:2639 biolink:ChemicalSubstance amiloride A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid. Beilstein:616612|CAS:2609-46-3|DrugBank:DB00594|Drug_Central:158|HMDB:HMDB0014732|KEGG:C06821|KEGG:D07447|LINCS:LSM-4194|MetaCyc:CPD-10324|PDBeChem:AMR|PMID:16020936|PMID:24410943|PMID:24419567|PMID:9124403|Patent:BE639386|Patent:US3313813|Reaxys:657410|Wikipedia:Amiloride phenio.json 3,5-diamino-N-[amino(imino)methyl]-6-chloropyrazine-2-carboxamide|3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide|Amiloride|N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide|amilorida|amiloride|amiloridum http://purl.obolibrary.org/obo/CHEBI_2639 3_STAR
CHEBI:26390 biolink:ChemicalSubstance purine 2'-deoxyribonucleotide phenio.json purine 2'-deoxyribonucleotides http://purl.obolibrary.org/obo/CHEBI_26390 3_STAR
CHEBI:26391 biolink:ChemicalSubstance purine nucleoside diphosphate phenio.json purine nucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26391 3_STAR
CHEBI:26392 biolink:ChemicalSubstance purine nucleoside monophosphate phenio.json purine nucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26392 3_STAR
CHEBI:26393 biolink:ChemicalSubstance purine nucleoside triphosphate phenio.json purine nucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_26393 3_STAR
CHEBI:26394 biolink:ChemicalSubstance purine nucleoside phenio.json purine nucleoside|purine nucleosides http://purl.obolibrary.org/obo/CHEBI_26394 3_STAR
CHEBI:26395 biolink:ChemicalSubstance purine nucleotide Any nucleotide that has a purine nucleobase. phenio.json purine nucleotides http://purl.obolibrary.org/obo/CHEBI_26395 3_STAR
CHEBI:26396 biolink:ChemicalSubstance purine ribonucleoside diphosphate phenio.json purine ribonucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26396 3_STAR
CHEBI:26397 biolink:ChemicalSubstance purine ribonucleoside monophosphate phenio.json purine ribonucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26397 3_STAR
CHEBI:26398 biolink:ChemicalSubstance purine ribonucleoside triphosphate phenio.json purine ribonucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_26398 3_STAR
CHEBI:26399 biolink:ChemicalSubstance purine ribonucleoside A ribonucleoside that has a purine moiety as the nucleobase (the R group in the illustration). phenio.json purine ribonucleosides http://purl.obolibrary.org/obo/CHEBI_26399 3_STAR
CHEBI:26400 biolink:ChemicalSubstance purine ribonucleotide Any ribonucleotide that has a purine nucleobase. phenio.json purine ribonucleotides http://purl.obolibrary.org/obo/CHEBI_26400 3_STAR
CHEBI:26401 biolink:ChemicalSubstance purines A class of imidazopyrimidines that consists of purine and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_26401 3_STAR
CHEBI:26404 biolink:ChemicalSubstance puromycins phenio.json http://purl.obolibrary.org/obo/CHEBI_26404 1_STAR
CHEBI:26406 biolink:ChemicalSubstance N-substituted putrescine phenio.json N-substituted putrescines|putrescines http://purl.obolibrary.org/obo/CHEBI_26406 3_STAR
CHEBI:26407 biolink:ChemicalSubstance pyrans phenio.json http://purl.obolibrary.org/obo/CHEBI_26407 3_STAR
CHEBI:26410 biolink:ChemicalSubstance pyrazoles phenio.json http://purl.obolibrary.org/obo/CHEBI_26410 3_STAR
CHEBI:26413 biolink:ChemicalSubstance pyrethroid insecticide phenio.json pyrethroid insecticides http://purl.obolibrary.org/obo/CHEBI_26413 3_STAR
CHEBI:26414 biolink:ChemicalSubstance pyridazinone phenio.json pyridazinones http://purl.obolibrary.org/obo/CHEBI_26414 3_STAR
CHEBI:26416 biolink:ChemicalSubstance pyridine alkaloid phenio.json pyridine alkaloids http://purl.obolibrary.org/obo/CHEBI_26416 3_STAR
CHEBI:26420 biolink:ChemicalSubstance pyridinemonocarboxylic acid A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring. phenio.json pyridinemonocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_26420 3_STAR
CHEBI:26421 biolink:ChemicalSubstance pyridines Any organonitrogen heterocyclic compound based on a pyridine skeleton and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_26421 3_STAR
CHEBI:26432 biolink:ChemicalSubstance pyrimidine nucleobase A nucleobase whose skeleton is derived from pyrimidine. phenio.json a pyrimidine nucleobase|pyrimidine bases|pyrimidine nucleobase|pyrimidine nucleobases http://purl.obolibrary.org/obo/CHEBI_26432 3_STAR
CHEBI:26433 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleoside diphosphate phenio.json pyrimidine 2'-deoxyribonucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26433 3_STAR
CHEBI:26434 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleoside monophosphate phenio.json pyrimidine 2'-deoxyribonucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26434 3_STAR
CHEBI:26435 biolink:ChemicalSubstance pyrimidine deoxyribonucleoside triphosphate phenio.json pyrimidine deoxyribonucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_26435 3_STAR
CHEBI:26436 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleotide phenio.json pyrimidine 2'-deoxyribonucleotides http://purl.obolibrary.org/obo/CHEBI_26436 3_STAR
CHEBI:26437 biolink:ChemicalSubstance pyrimidine nucleoside diphosphate phenio.json pyrimidine nucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26437 3_STAR
CHEBI:26438 biolink:ChemicalSubstance pyrimidine nucleoside monophosphate phenio.json pyrimidine nucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26438 3_STAR
CHEBI:26439 biolink:ChemicalSubstance pyrimidine nucleoside triphosphate phenio.json pyrimidine nucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_26439 3_STAR
CHEBI:26440 biolink:ChemicalSubstance pyrimidine nucleoside KEGG:C03169 phenio.json N-D-Ribosylpyrimidine|pyrimidine nucleosides http://purl.obolibrary.org/obo/CHEBI_26440 3_STAR
CHEBI:26441 biolink:ChemicalSubstance pyrimidine nucleotide phenio.json pyrimidine nucleotides http://purl.obolibrary.org/obo/CHEBI_26441 3_STAR
CHEBI:26442 biolink:ChemicalSubstance pyrimidine ribonucleoside diphosphate phenio.json pyrimidine ribonucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26442 3_STAR
CHEBI:26443 biolink:ChemicalSubstance pyrimidine ribonucleoside monophosphate phenio.json pyrimidine ribonucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26443 3_STAR
CHEBI:26444 biolink:ChemicalSubstance pyrimidine ribonucleoside triphosphate phenio.json pyrimidine ribonucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_26444 3_STAR
CHEBI:26446 biolink:ChemicalSubstance pyrimidine ribonucleotide phenio.json pyrimidine ribonucleotides http://purl.obolibrary.org/obo/CHEBI_26446 3_STAR
CHEBI:26447 biolink:ChemicalSubstance pyrimidinemonocarboxylic acid phenio.json pyrimidinemonocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_26447 3_STAR
CHEBI:26452 biolink:ChemicalSubstance pyrrolecarboxylate A monocarboxylic acid anion comprising any pyrrole carrying a single carboxylate substiuent. phenio.json pyrrolecarboxylates http://purl.obolibrary.org/obo/CHEBI_26452 3_STAR
CHEBI:26454 biolink:ChemicalSubstance pyrrolecarboxylic acid Any pyrrole carrying a single carboxylic acid group. phenio.json pyrrolecarboxylic acids http://purl.obolibrary.org/obo/CHEBI_26454 3_STAR
CHEBI:26455 biolink:ChemicalSubstance pyrroles An azole that includes only one N atom and no other heteroatom as a part of the aromatic skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_26455 3_STAR
CHEBI:26456 biolink:ChemicalSubstance pyrrolidine alkaloid phenio.json pyrrolidine alkaloids http://purl.obolibrary.org/obo/CHEBI_26456 3_STAR
CHEBI:26457 biolink:ChemicalSubstance 1-pyrrolinecarboxylate A monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of any 1-pyrrolinecarboxylic acid. phenio.json 1-pyrrolinecarboxylates http://purl.obolibrary.org/obo/CHEBI_26457 3_STAR
CHEBI:26461 biolink:ChemicalSubstance pyrroloquinoline cofactor COMe:MOL000075 phenio.json http://purl.obolibrary.org/obo/CHEBI_26461 3_STAR
CHEBI:26463 biolink:ChemicalSubstance pyruvate family amino acid An L-alpha-amino acid which is biosynthesised from pyruvate (i.e. alanine, valine, and leucine). A closed class. phenio.json pyruvate family amino acids http://purl.obolibrary.org/obo/CHEBI_26463 3_STAR
CHEBI:26469 biolink:ChemicalSubstance quaternary nitrogen compound A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen. phenio.json http://purl.obolibrary.org/obo/CHEBI_26469 3_STAR
CHEBI:26481 biolink:ChemicalSubstance quercetin bissulfate phenio.json quercetin bissulfate|quercetin bissulfates http://purl.obolibrary.org/obo/CHEBI_26481 3_STAR
CHEBI:26482 biolink:ChemicalSubstance quercetin sulfate phenio.json quercetin sulfate|quercetin sulfates http://purl.obolibrary.org/obo/CHEBI_26482 3_STAR
CHEBI:26483 biolink:ChemicalSubstance quercetin trissulfate phenio.json quercetin trissulfate|quercetin trissulfates http://purl.obolibrary.org/obo/CHEBI_26483 3_STAR
CHEBI:26490 biolink:ChemicalSubstance quinate A cyclitol carboxylic acid anion that is conjugate base of quinic acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_26490 3_STAR
CHEBI:26493 biolink:ChemicalSubstance quinic acid A cyclitol carboxylic acid. PMID:15589483|PMID:19952409|PMID:23590498 phenio.json http://purl.obolibrary.org/obo/CHEBI_26493 3_STAR
CHEBI:26507 biolink:ChemicalSubstance dihydroxyquinoline Any hydroxyquinoline in which the number of hydroxy substituents is specified as two. phenio.json dihydroxyquinolines http://purl.obolibrary.org/obo/CHEBI_26507 3_STAR
CHEBI:26508 biolink:ChemicalSubstance quinoline N-oxide phenio.json quinoline N-oxides http://purl.obolibrary.org/obo/CHEBI_26508 3_STAR
CHEBI:26509 biolink:ChemicalSubstance quinoline alkaloid phenio.json quinoline alkaloids http://purl.obolibrary.org/obo/CHEBI_26509 3_STAR
CHEBI:2651 biolink:ChemicalSubstance alpha-aminoacyl-tRNA Any ribonucleic acid that is transfer RNA in which one or more of the free OH groups carries an alpha-aminoacyl group. KEGG:C05156 phenio.json Aminoacyl-tRNA http://purl.obolibrary.org/obo/CHEBI_2651 3_STAR
CHEBI:26512 biolink:ChemicalSubstance quinolinemonocarboxylic acid Any aromatic carboxylic acid that contains a quinoline moiety that is substituted by one carboxy substituent. phenio.json quinolinemonocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_26512 3_STAR
CHEBI:26513 biolink:ChemicalSubstance quinolines A class of aromatic heterocyclic compounds each of which contains a benzene ring ortho fused to carbons 2 and 3 of a pyridine ring. phenio.json http://purl.obolibrary.org/obo/CHEBI_26513 3_STAR
CHEBI:26515 biolink:ChemicalSubstance quinolizidine alkaloid phenio.json quinolizidine alkaloids http://purl.obolibrary.org/obo/CHEBI_26515 3_STAR
CHEBI:26516 biolink:ChemicalSubstance quinolizidines phenio.json http://purl.obolibrary.org/obo/CHEBI_26516 3_STAR
CHEBI:26518 biolink:ChemicalSubstance quinuclidines phenio.json http://purl.obolibrary.org/obo/CHEBI_26518 3_STAR
CHEBI:26519 biolink:ChemicalSubstance radical A molecular entity possessing an unpaired electron. phenio.json Radikal|Radikale|free radical|freies Radikal|radical|radical libre|radicales libres|radicals http://purl.obolibrary.org/obo/CHEBI_26519 3_STAR
CHEBI:26523 biolink:ChemicalSubstance reactive oxygen species Molecules or ions formed by the incomplete one-electron reduction of oxygen. They contribute to the microbicidal activity of phagocytes, regulation of signal transduction and gene expression, and the oxidative damage to biopolymers. Wikipedia:Reactive_oxygen_species phenio.json ROS http://purl.obolibrary.org/obo/CHEBI_26523 3_STAR
CHEBI:26533 biolink:ChemicalSubstance reticuline Beilstein:338033|Beilstein:6004801|Beilstein:95672|CAS:485-19-8|KEGG:C12328|PMID:25973480 phenio.json (R,S)-Reticuline|1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol http://purl.obolibrary.org/obo/CHEBI_26533 3_STAR
CHEBI:26534 biolink:ChemicalSubstance retinals phenio.json http://purl.obolibrary.org/obo/CHEBI_26534 3_STAR
CHEBI:26536 biolink:ChemicalSubstance retinoic acid A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). LINCS:LSM-2135|PMID:24506204 phenio.json 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid http://purl.obolibrary.org/obo/CHEBI_26536 3_STAR
CHEBI:26537 biolink:ChemicalSubstance retinoid Oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. phenio.json retinoid|retinoids http://purl.obolibrary.org/obo/CHEBI_26537 3_STAR
CHEBI:2654 biolink:ChemicalSubstance aminoglutethimide A dicarboximide that is a six-membered cyclic compound having ethyl and 4-aminophenyl substituents at the 3-position. CAS:125-84-8|DrugBank:DB00357|Drug_Central:164|HMDB:HMDB0014501|KEGG:C07617|KEGG:D00574|LINCS:LSM-1409|PMID:11916226|PMID:17602675|PMID:24350727|Patent:US2848455|Reaxys:210656|Wikipedia:Aminoglutethimide phenio.json 2-(p-Aminophenyl)-2-ethylglutarimide|3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione|3-Ethyl-3-(p-aminophenyl)-2,6-dioxopiperidine|DL-Aminoglutethimide|P-Aminoglutethimide|alpha-(p-Aminophenyl)-alpha-ethylglutarimide|aminoglutethimide|aminoglutethimidum|aminoglutetimida|p-Aminoglutethimide http://purl.obolibrary.org/obo/CHEBI_2654 3_STAR
CHEBI:26543 biolink:ChemicalSubstance rhamnogalacturonan phenio.json http://purl.obolibrary.org/obo/CHEBI_26543 1_STAR
CHEBI:26544 biolink:ChemicalSubstance rhamnonate phenio.json http://purl.obolibrary.org/obo/CHEBI_26544 3_STAR
CHEBI:26545 biolink:ChemicalSubstance rhamnonolactone phenio.json rhamnonolactones http://purl.obolibrary.org/obo/CHEBI_26545 3_STAR
CHEBI:26546 biolink:ChemicalSubstance rhamnose A deoxymannose sugar that is the 6-deoxy derivative of hexose. PMID:24211429|PMID:24831810 phenio.json ramnose http://purl.obolibrary.org/obo/CHEBI_26546 3_STAR
CHEBI:26547 biolink:ChemicalSubstance rhamnoside phenio.json rhamnoside|rhamnosides http://purl.obolibrary.org/obo/CHEBI_26547 3_STAR
CHEBI:26548 biolink:ChemicalSubstance rhamnosylglucoside phenio.json rhamnosylglucoside|rhamnosylglucosides http://purl.obolibrary.org/obo/CHEBI_26548 3_STAR
CHEBI:26554 biolink:ChemicalSubstance ribitol phosphate phenio.json ribitol phosphate|ribitol phosphates http://purl.obolibrary.org/obo/CHEBI_26554 3_STAR
CHEBI:26556 biolink:ChemicalSubstance 1-ribosylimidazolecarboxamide phenio.json 1-ribosylimidazolecarboxamides http://purl.obolibrary.org/obo/CHEBI_26556 3_STAR
CHEBI:26558 biolink:ChemicalSubstance ribonucleoside monophosphate phenio.json ribonucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26558 3_STAR
CHEBI:26561 biolink:ChemicalSubstance ribonucleotide phenio.json ribonucleotides http://purl.obolibrary.org/obo/CHEBI_26561 3_STAR
CHEBI:26562 biolink:ChemicalSubstance ribose phosphate phenio.json ribose phosphate|ribose phosphates http://purl.obolibrary.org/obo/CHEBI_26562 3_STAR
CHEBI:26563 biolink:ChemicalSubstance ribose triphosphate phenio.json ribose triphosphate|ribose triphosphates http://purl.obolibrary.org/obo/CHEBI_26563 3_STAR
CHEBI:26567 biolink:ChemicalSubstance N-ribosyl-N(6)-isopentenyladenine phenio.json http://purl.obolibrary.org/obo/CHEBI_26567 1_STAR
CHEBI:26568 biolink:ChemicalSubstance ribosylamine phenio.json http://purl.obolibrary.org/obo/CHEBI_26568 1_STAR
CHEBI:26573 biolink:ChemicalSubstance ribulose phosphate phenio.json ribulose phosphate|ribulose phosphates http://purl.obolibrary.org/obo/CHEBI_26573 3_STAR
CHEBI:26580 biolink:ChemicalSubstance rifamycins Wikipedia:Rifamycin phenio.json rifamycin http://purl.obolibrary.org/obo/CHEBI_26580 3_STAR
CHEBI:26587 biolink:ChemicalSubstance rutinoside phenio.json rutinoside|rutinosides http://purl.obolibrary.org/obo/CHEBI_26587 3_STAR
CHEBI:26588 biolink:ChemicalSubstance 1,3,5-triazines Any compound with a 1,3,5-triazine skeleton, in which nitrogen atoms replace carbon at positions 1, 3 and 5 of the core benzene ring structure. phenio.json s-triazines http://purl.obolibrary.org/obo/CHEBI_26588 3_STAR
CHEBI:2659 biolink:ChemicalSubstance aminophylline A mixture comprising of theophylline and ethylenediamine in a 2:1 ratio. CAS:317-34-0|DrugBank:DB01223|KEGG:D00227|PMID:10654755|PMID:12615581|PMID:14608279|PMID:17391155|PMID:18568240|PMID:20206069|PMID:21223510|PMID:2636295|PMID:30797981|PMID:31122698|Wikipedia:Aminophylline phenio.json 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione - ethane-1,2-diamine (2:1)|3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compd with 1,2-ethanediamine (2:1)|Aminocardol|Aminodur|Aminodur dura-tabs|Aminofillina|Aminophyllin|Aminophylline|BY 108|Cardiofilina|Cardiomin|Cardophylin|Cardophyllin|Carena|Cariomin|Diaphilline|Diaphylline|Diophllin|Diophyllin|Diuxanthine|Dobo|Ethophylline|Etilen-Xantisan|Eufilina|Euphyllin|Euphylline|Euphyllinum|Eurphyllin|Euufilin|Euufillin|Genophyllin|Grifomin|Inophylline|Lasodex|Linampheta|Lixaminol|Metaphyllin|Metaphylline|Methophylline|Minaphil|Miofilin|Neophyiline|Neophylline|Norofilina|Peterphyllin|Phylcardin|Phyllindon|Phyllocontin|Rectalad aminophylline|Somophyllin|Stenovasan|Syntophyllin|TAD|TH/100|Tefamin|Theodrox|Theolamine|Theolone|Theomin|Theophyldine|Theophyline ethylenediamine|Theophyllamine|Theophyllaminium|Theophyllaminum|Theophyllin aethylendiamin|Theophylline ethylenediamine|Thephyldine|Truphylline|Variaphylline|Vasofilina|aminofilina|aminophylline|aminophyllinum|ethylenediamine, compd. with theophylline (1:2)|theophyline ethylenediamine|theophylline, compd with ethylenediamine (2:1) http://purl.obolibrary.org/obo/CHEBI_2659 3_STAR
CHEBI:26590 biolink:ChemicalSubstance sabinol phenio.json (3R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol http://purl.obolibrary.org/obo/CHEBI_26590 3_STAR
CHEBI:26596 biolink:ChemicalSubstance salicylates Any salt or ester arising from reaction of the carboxy group of salicylic acid, or any ester resulting from the condensation of the phenolic hydroxy group of salicylic acid with an organic acid. PMID:22866967 phenio.json http://purl.obolibrary.org/obo/CHEBI_26596 3_STAR
CHEBI:26600 biolink:ChemicalSubstance salutaridinol Beilstein:1552911 phenio.json 3,6-dimethoxy-17-methyl-5,6,8,14-tetradehydromorphinan-4,7-diol http://purl.obolibrary.org/obo/CHEBI_26600 3_STAR
CHEBI:266039 biolink:ChemicalSubstance 4-methoxyphenylethylamine A primary amino compound consisting of ethylamine having a 4-methoxyphenyl substituent at the 2-position. CAS:55-81-2|Gmelin:2093996|PMID:21394332|PMID:3377143|Reaxys:508967 phenio.json 2-(4-Methoxyphenyl)ethanamine|2-(4-Methoxyphenyl)ethylamine|2-(4-methoxyphenyl)ethanamine|2-(p-Methoxyphenyl)ethylamine|4-Methoxy-2-phenethylamine|4-Methoxy-beta-phenylethylamine|4-Methoxybenzeneethanamine|4-Methoxyphenethylamine|Homoanisylamine|O-Methyltyramine|p-Methoxyphenethylamine|p-Methoxyphenylethylamine http://purl.obolibrary.org/obo/CHEBI_266039 3_STAR
CHEBI:26605 biolink:ChemicalSubstance saponin A glycoside that is a compound containing one or more hydrophilic glycoside moieties combined with a lipophilic triterpenoid or steroid derivative. Found in particular abundance in plant species. phenio.json sapogenin glycoside|sapogenin glycosides|saponins http://purl.obolibrary.org/obo/CHEBI_26605 3_STAR
CHEBI:26606 biolink:ChemicalSubstance sapogenin Any organic polycyclic compound that is the aglycon moiety of a saponin; sapogenins may be steroids or triterpenoids. phenio.json sapogenin|sapogenins http://purl.obolibrary.org/obo/CHEBI_26606 3_STAR
CHEBI:26607 biolink:ChemicalSubstance saturated fatty acid Any fatty acid containing no carbon to carbon multiple bonds. Known to produce adverse biological effects when ingested to excess. PMID:16492686|PMID:19763019|PMID:20237329 phenio.json SFA|SFAs|saturated fatty acid|saturated fatty acids http://purl.obolibrary.org/obo/CHEBI_26607 3_STAR
CHEBI:26613 biolink:ChemicalSubstance scyllo-inositol phosphate phenio.json scyllo-inositol phosphates http://purl.obolibrary.org/obo/CHEBI_26613 3_STAR
CHEBI:26616 biolink:ChemicalSubstance seco-androstane phenio.json seco-androstanes http://purl.obolibrary.org/obo/CHEBI_26616 3_STAR
CHEBI:26626 biolink:ChemicalSubstance selenites Salts and esters of selenous acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_26626 3_STAR
CHEBI:26628 biolink:ChemicalSubstance selenium molecular entity phenio.json selenium molecular entities|selenium molecular entity http://purl.obolibrary.org/obo/CHEBI_26628 3_STAR
CHEBI:26629 biolink:ChemicalSubstance selenoamino acid phenio.json http://purl.obolibrary.org/obo/CHEBI_26629 1_STAR
CHEBI:2663 biolink:ChemicalSubstance amiodarone A member of the class of 1-benzofurans that is 1-benzofuran substituted by a butyl group at position 2 and a 4-[2-(diethylamino)ethoxy]-3,5-diiodobenzoyl group at position 3. It is a cardiovascular drug used for the treatment of cardiac dysrhythmias. Beilstein:1271711|CAS:1951-25-3|DrugBank:DB01118|Drug_Central:176|HMDB:HMDB0015250|KEGG:C06823|KEGG:D02910|LINCS:LSM-2379|PMID:10188629|PMID:16479044|PMID:18368867|Patent:CA2826272|Patent:TW201400111|Wikipedia:Amiodarone phenio.json (2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone|2-Butyl-3-(3,5-diiodo-4-(2-diethylaminoethoxy)benzoyl)benzofuran|2-Butyl-3-benzofuranyl 4-(2-(diethylamino)ethoxy)-3,5-diiodophenyl ketone|2-n-Butyl-3',5'-diiodo-4'-N-diethylaminoethoxy-3-benzoylbenzofuran|Amiodarone|amiodarona|amiodaronum http://purl.obolibrary.org/obo/CHEBI_2663 3_STAR
CHEBI:26630 biolink:ChemicalSubstance selenocystathionine A member of the class of cystathionines derived from homoselenocysteine and serine residues joined by a selenide bond. CAS:2196-58-9|Reaxys:1792529 phenio.json 2-amino-4-[(2-amino-2-carboxyethyl)selanyl]butanoic acid|2-amino-4-[(2-amino-2-carboxyethyl)selanyl]butyric acid|selenocystathionines http://purl.obolibrary.org/obo/CHEBI_26630 3_STAR
CHEBI:26632 biolink:ChemicalSubstance selenocysteines phenio.json http://purl.obolibrary.org/obo/CHEBI_26632 1_STAR
CHEBI:26634 biolink:ChemicalSubstance selenodiglutathione A thioselenide in which a selenium atom is attached to the sulfur atoms of two molecules of glutathione. It is an initial metabolite of selenite, SeO3(2-). CAS:33944-90-0|KEGG:C18870|MetaCyc:CPD-13908|PMID:10365249|PMID:1569062|PMID:235962|PMID:384997|PMID:7476355|PMID:7614692|PMID:8033315|PMID:9850565|Reaxys:13876743|UM-BBD_compID:c0743 phenio.json GS-Se-SG|GSSeSG|N,N'-((selenodithio)bis(1-((carboxymethyl)carbamoyl)ethylene))di-L-glutamine|N,N'-[(selenodithio)bis{1-[(carboxymethyl)carbamoyl]ethylene}]di-L-glutamine http://purl.obolibrary.org/obo/CHEBI_26634 3_STAR
CHEBI:26640 biolink:ChemicalSubstance selenomethionines phenio.json http://purl.obolibrary.org/obo/CHEBI_26640 1_STAR
CHEBI:26642 biolink:ChemicalSubstance selenous acid CAS:7783-00-8|Gmelin:25856 phenio.json [SeO(OH)2]|dihydroxidooxidoselenium|selenige Saeure|selenious acid|selenous acid http://purl.obolibrary.org/obo/CHEBI_26642 3_STAR
CHEBI:26643 biolink:ChemicalSubstance aldehydic acid A monocarboxylic acid derived from any dicarboxylic acid that has a retained name by the formal reduction of one of the carboxy groups to a formyl group. The resulting structure, also known as a semialdehyde, may be named by replacing the ending '...ic acid' of the retained name of the dicarboxylic acid by the ending '...aldehydic acid'. Aldehydic acids therefore contain one carboxy group and one aldehyde group. phenio.json Semialdehyd|aldehydic acids|semi-aldehyde|semi-aldehydes|semialdehyde|semialdehydes http://purl.obolibrary.org/obo/CHEBI_26643 3_STAR
CHEBI:26645 biolink:ChemicalSubstance semiochemical A molecular messenger released by an organism that affects the behaviour within or between species. Wikipedia:Semiochemical phenio.json semiochemicals http://purl.obolibrary.org/obo/CHEBI_26645 3_STAR
CHEBI:26649 biolink:ChemicalSubstance serine derivative An amino acid derivative resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of serine by a heteroatom. The definition normally excludes peptides containing serine residues. phenio.json serine derivatives http://purl.obolibrary.org/obo/CHEBI_26649 3_STAR
CHEBI:2665 biolink:ChemicalSubstance amitraz A tertiary amino compound that is 1,3,5-triazapenta-1,4-diene substituted by a methyl group at position 3 and 2,4-dimethylphenyl groups at positions 1 and 5. CAS:33089-61-1|KEGG:C10995|KEGG:D02380|PMID:10885999|PMID:15822764|PMID:24288053|PMID:25053051|PPDB:30|Pesticides:amitraz|Reaxys:2946590|VSDB:30|Wikipedia:Amitraz phenio.json 1,5-di(2,4-dimethylphenyl)-3-methyl-1,3,5-triazapenta-1,4-diene|Amitraz|Mitac|N'-(2,4-dimethylphenyl)-N-{[(2,4-dimethylphenyl)imino]methyl}-N-methylmethanimidamide|N,N'-(methyliminodimethylidyne)bis-2,4-xylidine http://purl.obolibrary.org/obo/CHEBI_2665 3_STAR
CHEBI:26650 biolink:ChemicalSubstance serine family amino acid An alpha-amino acid which is biosynthesised from 3-phosphoglycerate (i.e. serine, glycine, cysteine and homocysteine). A closed class. PMID:20709681 phenio.json 3-phosphoglycerate family amino acid|3-phosphoglycerate family amino acids|serine family amino acids http://purl.obolibrary.org/obo/CHEBI_26650 3_STAR
CHEBI:26658 biolink:ChemicalSubstance sesquiterpenoid Any terpenoid derived from a sesquiterpene. The term includes compounds in which the C15 skeleton of the parent sesquiterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0103 phenio.json sesquiterpenoides|sesquiterpenoids http://purl.obolibrary.org/obo/CHEBI_26658 3_STAR
CHEBI:2666 biolink:ChemicalSubstance amitriptyline An organic tricyclic compound that is 10,11-dihydro-5H-dibenzo[a,d][7]annulene substituted by a 3-(dimethylamino)propylidene group at position 5. CAS:50-48-6|DrugBank:DB00321|Drug_Central:180|HMDB:HMDB0014466|KEGG:C06824|KEGG:D07448|LINCS:LSM-3190|PMID:15554244|PMID:18359012|PMID:24447704|Patent:CN101780063|Patent:WO2011089289|Reaxys:2217885|VSDB:2962|Wikipedia:Amitriptyline phenio.json 10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5H-dibenzo(a,d)cycloheptene|10,11-dihydro-N,N-dimethyl-5H-dibenzo(a,d)heptalene-Delta(5),gamma-propylamine|3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine|3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N,N-dimethylpropan-1-amine|3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethylpropan-1-amine|5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptatriene|5-(3-dimethylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene|5-(gamma-dimethylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptadiene|Amitriptylin|Amitriptyline http://purl.obolibrary.org/obo/CHEBI_2666 3_STAR
CHEBI:26660 biolink:ChemicalSubstance sesterterpenoid Any terpenoid derived from a sesterterpene. The term includes compounds in which the C25 skeleton of the parent sesterterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). Sometimes sesterterpenoids are erroneously referred to as sesterpenoids. LIPID_MAPS_class:LMPR0105 phenio.json C25 terpenoid|C25 terpenoids|sesterpenoids|sesterterpenoids http://purl.obolibrary.org/obo/CHEBI_26660 3_STAR
CHEBI:26666 biolink:ChemicalSubstance short-chain fatty acid An aliphatic monocarboxylic acid with a chain length of less than C6. If any non-hydrocarbon substituent is present, the compound is not normally regarded as a short-chain fatty acid. PMID:16633129|PMID:16870803|PMID:18203540|PMID:20148677 phenio.json SCFA|SCFAs|short-chain fatty acids http://purl.obolibrary.org/obo/CHEBI_26666 3_STAR
CHEBI:26667 biolink:ChemicalSubstance sialic acid Any of the N-acylneuraminic acids and their esters and other derivatives of the alcoholic hydroxy groups. Wikipedia:Sialic_acid phenio.json Sialsaeure|Sialsaeuren|acide sialique|acides sialique|sialic acids http://purl.obolibrary.org/obo/CHEBI_26667 3_STAR
CHEBI:26668 biolink:ChemicalSubstance sialosyl group A glycosyl group derived by removal of the exomeric hydroxy group from any of the sialic acids. phenio.json http://purl.obolibrary.org/obo/CHEBI_26668 3_STAR
CHEBI:26672 biolink:ChemicalSubstance siderophore Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron. phenio.json ferrioxamine|ferrioxamines|ironophore|siderochrome|siderochromes|siderophore|siderophores http://purl.obolibrary.org/obo/CHEBI_26672 3_STAR
CHEBI:26673 biolink:ChemicalSubstance organosilanediol phenio.json http://purl.obolibrary.org/obo/CHEBI_26673 1_STAR
CHEBI:26675 biolink:ChemicalSubstance silicic acid CAS:10193-36-9|Gmelin:2009|UM-BBD_compID:c0577 phenio.json H4SiO4|Kieselsaeure|Orthokieselsaeure|[Si(OH)4]|monosilicic acid|orthosilicic acid|silanetetrol|silicic acid|silicon tetrahydroxide|tetrahydroxidosilicon|tetrahydroxysilane http://purl.obolibrary.org/obo/CHEBI_26675 3_STAR
CHEBI:26677 biolink:ChemicalSubstance silicon molecular entity phenio.json silicon compounds|silicon molecular entities|silicon molecular entity http://purl.obolibrary.org/obo/CHEBI_26677 3_STAR
CHEBI:2668 biolink:ChemicalSubstance amlodipine A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina. CAS:88150-42-9|DrugBank:DB00381|Drug_Central:183|KEGG:C06825|KEGG:D07450|LINCS:LSM-1388|PMID:1532771|PMID:16422032|PMID:1834846|PMID:19450066|PMID:21591999|PMID:7522286|PMID:8310972|PMID:8310973|PMID:9156957|Patent:EP89167|Patent:US4572909|Reaxys:3570229|VSDB:2963|Wikipedia:Amlodipine phenio.json 3-Ethyl-5-methyl (+-)-2-(2-aminoethoxymethyl)-4-(o-chlorophenyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate|3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate|Amlodipine Free Base|amlodipine|amlodipino|amlodipinum http://purl.obolibrary.org/obo/CHEBI_2668 3_STAR
CHEBI:26689 biolink:ChemicalSubstance singlet dioxygen A reactive oxygen species that is the lowest excited state of the dioxygen molecule. Drug_Central:4235|Gmelin:491|PMID:18264592|PMID:21735018|PMID:21883246|Reaxys:16514885|Reaxys:3587218|Wikipedia:Singlet_oxygen phenio.json (1)O2|singlet molecular oxygen http://purl.obolibrary.org/obo/CHEBI_26689 3_STAR
CHEBI:26706 biolink:ChemicalSubstance sn-glycerol 3-phosphates phenio.json http://purl.obolibrary.org/obo/CHEBI_26706 3_STAR
CHEBI:26707 biolink:ChemicalSubstance glycerol phosphate phenio.json http://purl.obolibrary.org/obo/CHEBI_26707 1_STAR
CHEBI:26708 biolink:ChemicalSubstance sodium atom CAS:7440-23-5|Gmelin:16221|KEGG:C01330|WebElements:Na phenio.json 11Na|Na|Natrium|natrium|sodio|sodium http://purl.obolibrary.org/obo/CHEBI_26708 3_STAR
CHEBI:26710 biolink:ChemicalSubstance sodium chloride An inorganic chloride salt having sodium(1+) as the counterion. CAS:7647-14-5|Gmelin:13673|KEGG:C13563|KEGG:D02056|MetaCyc:NACL|PPDB:595|Reaxys:3534976|Wikipedia:Sodium_Chloride phenio.json Kochsalz|NaCl|Natriumchlorid|chlorure de sodium|cloruro sodico|common salt|halite|natrii chloridum|rock salt|salt|sodium chloride|table salt http://purl.obolibrary.org/obo/CHEBI_26710 3_STAR
CHEBI:26712 biolink:ChemicalSubstance sodium molecular entity phenio.json sodium compounds|sodium molecular entities http://purl.obolibrary.org/obo/CHEBI_26712 3_STAR
CHEBI:26714 biolink:ChemicalSubstance sodium salt Any alkali metal salt having sodium(1+) as the cation. phenio.json Natriumsalz|Natriumsalze|sodium salts http://purl.obolibrary.org/obo/CHEBI_26714 3_STAR
CHEBI:26718 biolink:ChemicalSubstance solanesol A nonaprenol that is hexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol substituted by 9 methyl groups at positions 3, 7, 11, 15, 19, 23, 27, 31 and 35 (the all-trans0stereoisomer). CAS:13190-97-1|Reaxys:1717721 phenio.json (2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-ol http://purl.obolibrary.org/obo/CHEBI_26718 3_STAR
CHEBI:26725 biolink:ChemicalSubstance glucitol phosphate phenio.json glucitol phosphates|sorbitol phosphate http://purl.obolibrary.org/obo/CHEBI_26725 3_STAR
CHEBI:2673 biolink:ChemicalSubstance amobarbital A member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by a 3-methylbutyl and an ethyl group at position 5. Amobarbital has been shown to exhibit sedative and hypnotic properties. CAS:57-43-2|DrugBank:DB01351|Drug_Central:184|Gmelin:281708|HMDB:HMDB0015440|KEGG:C07536|KEGG:D00555|MetaCyc:CPD-5742|Patent:US3507960|Reaxys:211172|Wikipedia:Amobarbital phenio.json 5-ethyl-5-(3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione|5-ethyl-5-(3-methylbutyl)barbituric acid|5-ethyl-5-(3-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trione|5-ethyl-5-isoamylbarbituric acid|5-ethyl-5-isopentylbarbituric acid|Amobarbital|amylobarbitone|amytal|barbamil|barbamyl http://purl.obolibrary.org/obo/CHEBI_2673 3_STAR
CHEBI:26735 biolink:ChemicalSubstance substituted spermine phenio.json http://purl.obolibrary.org/obo/CHEBI_26735 1_STAR
CHEBI:26738 biolink:ChemicalSubstance sphingenine A 2-aminooctadecene-1,3-diol having (2S,3R)-configuration. phenio.json sphingenines http://purl.obolibrary.org/obo/CHEBI_26738 3_STAR
CHEBI:26739 biolink:ChemicalSubstance sphingolipid Sphingolipids are a complex family of compounds that share a common structural feature, a sphingoid base backbone. phenio.json sphingolipids http://purl.obolibrary.org/obo/CHEBI_26739 3_STAR
CHEBI:2674 biolink:ChemicalSubstance amodiaquine A quinoline having a chloro group at the 7-position and an aryl amino group at the 4-position. CAS:86-42-0|DrugBank:DB00613|Drug_Central:186|KEGG:C07626|KEGG:D02922|LINCS:LSM-4042|PDBeChem:CQA|PMID:11044276|PMID:11971651|PMID:17046445|PMID:17222819|PMID:18419816|PMID:18855526|PMID:19024339|PMID:19245687|PMID:26206402|PMID:26597254|PMID:26647924|PMID:26735991|PMID:26851641|PMID:26900802|PMID:26930583|PMID:27031231|PMID:8885219|Patent:US2474821|Reaxys:300962|Wikipedia:Amodiaquine phenio.json 4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol|Amodiaquine|amodiaquina|amodiaquine|amodiaquinum http://purl.obolibrary.org/obo/CHEBI_2674 3_STAR
CHEBI:267413 biolink:ChemicalSubstance balsalazide A monohydroxybenzoic acid consisting of 5-aminosalicylic acid (mesalazine) linked to 4-aminobenzoyl-beta-alanine via an azo bond. CAS:80573-04-2|DrugBank:DB01014|Drug_Central:284|KEGG:D07488|Patent:GB2080796|Patent:US4412992|Reaxys:8081576|Wikipedia:Balsalazide phenio.json (E)-5-((4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoic acid|(E)-5-({p-[(2-carboxyethyl)carbamoyl]phenyl}azo)-2-salicylic acid|3-(2-{4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazinylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid|5-[(E)-{4-[(2-carboxyethyl)carbamoyl]phenyl}diazenyl]-2-hydroxybenzoic acid|5-[4-(2-carboxy-ethylcarbamoyl)-phenylazo]-2-hydroxy-benzoic acid|balsalazida|balsalazide|balsalazido|balsalazidum http://purl.obolibrary.org/obo/CHEBI_267413 3_STAR
CHEBI:26743 biolink:ChemicalSubstance sphing-4-enine A sphingenine in which the C=C double bond is located at the 4-position. Beilstein:7794904|LINCS:LSM-5718 phenio.json (2S,3R)-2-aminooctadec-4-ene-1,3-diol|4-sphingenine|sphing-4-enine http://purl.obolibrary.org/obo/CHEBI_26743 3_STAR
CHEBI:26745 biolink:ChemicalSubstance spirostan phenio.json spirostan http://purl.obolibrary.org/obo/CHEBI_26745 3_STAR
CHEBI:26747 biolink:ChemicalSubstance squalene triterpenoid A triterpenoid based on a squalene skeleton and its substituted derivatives thereof. phenio.json squalene triterpenoids http://purl.obolibrary.org/obo/CHEBI_26747 3_STAR
CHEBI:2675 biolink:ChemicalSubstance amoxapine A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position. Beilstein:832057|CAS:14028-44-5|DrugBank:DB00543|Drug_Central:191|KEGG:D00228|LINCS:LSM-2021|PMID:24134630|Patent:FR1508536|Patent:US3663696|Wikipedia:Amoxapine phenio.json 2-Chloro-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepine|2-chloro-11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepine|Desmethylloxapin|amoxapina|amoxapine|amoxapinum http://purl.obolibrary.org/obo/CHEBI_2675 3_STAR
CHEBI:26753 biolink:ChemicalSubstance stearoyl group phenio.json CH3-[CH2]16-CO-|Ste|octadecanoyl|stearoyl http://purl.obolibrary.org/obo/CHEBI_26753 3_STAR
CHEBI:26756 biolink:ChemicalSubstance stercobilin Beilstein:635511 phenio.json 3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,2,3,4,5,15,16,17,18,19,22,24-dodecahydro-21H-biline-8,12-dipropanoic acid|8,12-bis(2-carboxyethyl)-3,18-diethyl-2,3,17,18-tetrahydro-2,7,13,17-tetramethylbilene-b-1,19(4H,16H)-dione|stercobilin|stercobilin IXalpha http://purl.obolibrary.org/obo/CHEBI_26756 3_STAR
CHEBI:26759 biolink:ChemicalSubstance sterigmatocystins phenio.json http://purl.obolibrary.org/obo/CHEBI_26759 1_STAR
CHEBI:2676 biolink:ChemicalSubstance amoxicillin A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group. CAS:26787-78-0|DrugBank:DB01060|Drug_Central:192|HMDB:HMDB0015193|KEGG:C06827|KEGG:D07452|LINCS:LSM-5654|PMID:10930630|PMID:11431418|PMID:11906332|PMID:12569987|PMID:12833570|PMID:12850488|PMID:16033609|PMID:2083978|PMID:24595455|PMID:24631718|PMID:24759068|PMID:25998949|PMID:27731424|PMID:28987997|PMID:29017833|Patent:DE1942693|Patent:GB1241844|Patent:GB978178|Patent:US3192198|Reaxys:4274654|VSDB:1741|Wikipedia:Amoxicillin phenio.json (2S,5R,6R)-6-{[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6-(p-hydroxy-alpha-aminophenylacetamido)penicillanic acid|6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid|AMPC|AX|Amolin|Amopenixin|Amoxicillin|Amoxicillin anhydrous|Clamoxyl|Moxal|alpha-amino-p-hydroxybenzylpenicillin|amoxicilina|amoxicillin|amoxicilline|amoxicillinum|amoxycilin|amoxycillin|p-hydroxyampicillin http://purl.obolibrary.org/obo/CHEBI_2676 3_STAR
CHEBI:26761 biolink:ChemicalSubstance steroid antibiotic phenio.json http://purl.obolibrary.org/obo/CHEBI_26761 1_STAR
CHEBI:26763 biolink:ChemicalSubstance steroid glucosiduronic acid phenio.json steroid glucosiduronic acid|steroid glucosiduronic acids http://purl.obolibrary.org/obo/CHEBI_26763 3_STAR
CHEBI:26764 biolink:ChemicalSubstance steroid hormone Any steroid that acts as hormone. phenio.json Steroidhormon|Steroidhormone|hormona esteroide|hormonas esteroideas|hormone steroide|hormones steroides|steroid hormones http://purl.obolibrary.org/obo/CHEBI_26764 3_STAR
CHEBI:26766 biolink:ChemicalSubstance steroid lactone KEGG:C15507 phenio.json steroid lactones http://purl.obolibrary.org/obo/CHEBI_26766 3_STAR
CHEBI:2677 biolink:ChemicalSubstance Augmentin A mixture composed of amoxicillin trihydrate and potassium clavulanate; a broad-spectrum antibiotic. The potassium clavulanate component is particularly active against the clinically important plasmid-mediated beta-lactamases frequently responsible for transferred drug resistance to penicillins and cephalosporins. CAS:74469-00-4|KEGG:D00230|PMID:25544822|Reaxys:23956304 phenio.json Amoxicillin / clavulanic acid|Amoxicillin and clavulanate potassium|Amoxicillin hydrate-potassium clavulanate mixt|Amoxicillin mixture with Clavulanate potassium|Amoxicillin-potassium clavulanate combination|Augmentin|Potassium clavulanate mixed with amoxicillin http://purl.obolibrary.org/obo/CHEBI_2677 3_STAR
CHEBI:26773 biolink:ChemicalSubstance stigmastane Beilstein:8170826|LIPID_MAPS_instance:LMST01040000 phenio.json stigmastane http://purl.obolibrary.org/obo/CHEBI_26773 3_STAR
CHEBI:26775 biolink:ChemicalSubstance stilbene Beilstein:1904445|CAS:588-59-0|Gmelin:67845|Wikipedia:Stilbene phenio.json 1,1'-(1,2-ethenediyl)bis[benzene]|1,1'-(1,2-ethenediyl)bisbenzene|1,1'-(1,2-ethenediyl)dibenzene|1,1'-(ethene-1,2-diyl)dibenzene|1,1'-ethene-1,2-diyldibenzene|1,2-diphenylethylene|alpha,beta-diphenylethylene|stilbene http://purl.obolibrary.org/obo/CHEBI_26775 3_STAR
CHEBI:26776 biolink:ChemicalSubstance stilbenoid Any olefinic compound characterised by a 1,2-diphenylethylene backbone. phenio.json stilbenes|stilbenoids http://purl.obolibrary.org/obo/CHEBI_26776 3_STAR
CHEBI:26787 biolink:ChemicalSubstance streptomycin phosphate phenio.json streptomycin phosphate|streptomycin phosphates http://purl.obolibrary.org/obo/CHEBI_26787 3_STAR
CHEBI:26788 biolink:ChemicalSubstance streptomycins phenio.json http://purl.obolibrary.org/obo/CHEBI_26788 3_STAR
CHEBI:26789 biolink:ChemicalSubstance streptothricin An N-glycosyl compound consisting of 2-amino-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidene]-beta-D-gulopyranosylamine in which the amino group at position 2 of the gulopyranosyl moiety is acylated by a peptide unit made up of between 1 and 7 N(epsilon)-linked units of beta-lysine. phenio.json racemomycins|streptothricins|yazumycins http://purl.obolibrary.org/obo/CHEBI_26789 3_STAR
CHEBI:2679 biolink:ChemicalSubstance amphetamine A racemate comprising equimolar amounts of (R)-amphetamine (also known as levamphetamine or levoamphetamine) and (S)-amphetamine (also known as dexamfetamine or dextroamphetamine. CAS:300-62-9|DrugBank:DB00182|Gmelin:406210|HMDB:HMDB0014328|KEGG:C07514|KEGG:D07445|PMID:23889359|PMID:24408209|Reaxys:507867|Wikipedia:Amphetamine phenio.json 1-Phenylpropan-2-amin|1-phenyl-2-aminopropane|Amfetamine|Amphetamin|Amphetamine|Benzedrine|alpha-methylbenzeneethaneamine|alpha-methylphenylethylamine|amfetamina|amfetamine|amfetaminum|amphetamine|amphetaminium|anfetamina|beta-Phenylisopropylamin|beta-aminopropylbenzene|beta-phenylisopropylamine|desoxynorephedrine|rac-(2R)-1-phenylpropan-2-amine|rac-amphetamine http://purl.obolibrary.org/obo/CHEBI_2679 3_STAR
CHEBI:26799 biolink:ChemicalSubstance styrenes phenio.json http://purl.obolibrary.org/obo/CHEBI_26799 3_STAR
CHEBI:26806 biolink:ChemicalSubstance succinate A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of succinic acid. phenio.json succinate anion|succinates|succinic acid anion http://purl.obolibrary.org/obo/CHEBI_26806 3_STAR
CHEBI:26816 biolink:ChemicalSubstance carbohydrate phosphate phenio.json carbohydrate phosphates http://purl.obolibrary.org/obo/CHEBI_26816 3_STAR
CHEBI:26819 biolink:ChemicalSubstance sulfuric ester An ester of an alcohol and sulfuric acid. phenio.json sulfate ester|sulfuric acid ester|sulfuric acid esters http://purl.obolibrary.org/obo/CHEBI_26819 3_STAR
CHEBI:2682 biolink:ChemicalSubstance amphotericin B A macrolide antibiotic used to treat potentially life-threatening fungal infections. CAS:1397-89-3|DrugBank:DB00681|Drug_Central:197|KEGG:C06573|KEGG:D00203|LIPID_MAPS_instance:LMPK06000002|PMID:11429202|PMID:11930683|PMID:15793154|PMID:16120633|PMID:16793999|PMID:1732516|PMID:17507115|PMID:33846129|Patent:US2908611|Reaxys:4645978|Wikipedia:Amphotericin_B phenio.json (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid|AMPH-B|Amphotericine B|Liposomal Amphotericin B|amfotericina B|amphotericin B|amphotericine B|amphotericinum B http://purl.obolibrary.org/obo/CHEBI_2682 3_STAR
CHEBI:26820 biolink:ChemicalSubstance sulfates Salts and esters of sulfuric acid phenio.json sulfates|sulfuric acid derivative|sulphates http://purl.obolibrary.org/obo/CHEBI_26820 3_STAR
CHEBI:26822 biolink:ChemicalSubstance sulfide Any sulfur molecular entity that involves either covalently bonded or anionic sulfur. phenio.json sulphides http://purl.obolibrary.org/obo/CHEBI_26822 3_STAR
CHEBI:26825 biolink:ChemicalSubstance sulfobenzoic acid phenio.json sulfobenzoic acids http://purl.obolibrary.org/obo/CHEBI_26825 3_STAR
CHEBI:26826 biolink:ChemicalSubstance dihydroxybenzenesulfonic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_26826 1_STAR
CHEBI:26829 biolink:ChemicalSubstance sulfoglycolipid A sulfate ester of a glycolipid. phenio.json sulfoglycolipids http://purl.obolibrary.org/obo/CHEBI_26829 3_STAR
CHEBI:26830 biolink:ChemicalSubstance sulfonium compound phenio.json http://purl.obolibrary.org/obo/CHEBI_26830 1_STAR
CHEBI:26831 biolink:ChemicalSubstance N,N''-sulfonyldiurea CAS:35507-37-0 phenio.json N,N''-Sulfonylbisurea|N,N''-sulfonyldiurea|Sulfonylurea|sulfonylurea http://purl.obolibrary.org/obo/CHEBI_26831 3_STAR
CHEBI:26833 biolink:ChemicalSubstance sulfur atom CAS:7704-34-9|KEGG:C00087|KEGG:D06527|PPDB:605|WebElements:S phenio.json 16S|Elemental sulfur|S|Schwefel|azufre|soufre|sulfur|sulphur|theion http://purl.obolibrary.org/obo/CHEBI_26833 3_STAR
CHEBI:26834 biolink:ChemicalSubstance sulfur-containing amino acid phenio.json sulfur-containing amino acids http://purl.obolibrary.org/obo/CHEBI_26834 3_STAR
CHEBI:26835 biolink:ChemicalSubstance sulfur molecular entity phenio.json sulfur molecular entities|sulfur molecular entity http://purl.obolibrary.org/obo/CHEBI_26835 3_STAR
CHEBI:26836 biolink:ChemicalSubstance sulfuric acid A sulfur oxoacid that consists of two oxo and two hydroxy groups joined covalently to a central sulfur atom. CAS:7664-93-9|Gmelin:2122|KEGG:C00059|KEGG:D05963|KNApSAcK:C00007530|MolBase:4|PMID:13568755|PMID:16122922|PMID:19397353|PMID:22047659|PMID:22136045|PMID:22204399|PMID:22267186|PMID:22296037|PMID:22364556|PMID:22435616|PPDB:606|Reaxys:2037554|Wikipedia:Sulfuric_acid phenio.json Acide sulfurique|Acido sulfurico|Acidum sulfuricum|H2SO4|Schwefelsaeureloesungen|Sulfuric acid|[S(OH)2O2]|[SO2(OH)2]|dihydrogen tetraoxosulfate|dihydroxidodioxidosulfur|hydrogen tetraoxosulfate(2-)|hydrogen tetraoxosulfate(VI)|sulfuric acid|sulphuric acid|tetraoxosulfuric acid http://purl.obolibrary.org/obo/CHEBI_26836 3_STAR
CHEBI:26841 biolink:ChemicalSubstance synthetic auxin A synthetic compound exhibiting auxin activity. phenio.json synthetic auxins http://purl.obolibrary.org/obo/CHEBI_26841 3_STAR
CHEBI:26845 biolink:ChemicalSubstance tagaturonic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_26845 3_STAR
CHEBI:26847 biolink:ChemicalSubstance altraric acid phenio.json talaric acid http://purl.obolibrary.org/obo/CHEBI_26847 3_STAR
CHEBI:26848 biolink:ChemicalSubstance tannin Any of a group of astringent polyphenolic vegetable principles or compounds, chiefly complex glucosides of catechol and pyrogallol. Wikipedia:Tannin phenio.json tannins http://purl.obolibrary.org/obo/CHEBI_26848 3_STAR
CHEBI:26849 biolink:ChemicalSubstance DL-tartaric acid A racemate comprising equimolar amounts of D- and L-tartaric acid. CAS:133-37-9|Gmelin:82691|PMID:24507823|PMID:24556732|PMID:32132279|Reaxys:510169|Wikipedia:Racemic_acid phenio.json (+-)-2,3-dihydroxybutanedioic acid|(+-)-tartaric acid|(2RS,3RS)-tartaric acid|(R*,R*)-(+-)-2,3-dihydroxybutanedioic acid|(R*,R*)-2,3-dihydroxybutanedioic acid|DL-2,3-dihydroxybutanedioic acid|DL-tartaric acid|Traubensaeure|Vogesensaeure|acide tartrique|acido tartarico|dl-tartaric acid|para-Weinsaeure|paratartaric acid|rac-(2R,3R)-2,3-dihydroxybutanedioic acid|racemic acid|racemic tartaric acid|racemische Weinsaeure|resolvable tartaric acid|uvic acid http://purl.obolibrary.org/obo/CHEBI_26849 3_STAR
CHEBI:2686 biolink:ChemicalSubstance amrinone A 3,4'-bipyridine substituted at positions 5 and 6 by an amino group and a keto function respectively. A pyridine phosphodiesterase 3 inhibitor, it is a drug that may improve the prognosis in patients with congestive heart failure. CAS:60719-84-8|DrugBank:DB01427|Drug_Central:201|HMDB:HMDB0015496|KEGG:D00231|LINCS:LSM-6600|PMID:10513074|PMID:10835763|PMID:10919416|PMID:10969688|PMID:10972600|PMID:12076859|PMID:12111179|PMID:12354747|PMID:14754535|PMID:15064331|PMID:15892406|PMID:15972057|PMID:16154150|PMID:16236146|PMID:17582263|PMID:18468627|PMID:23112975|PMID:23184630|PMID:23908328|PMID:28166217|PMID:29764757|PMID:31194440|PMID:3764113|PMID:3916118|PMID:39684|PMID:7379253|Wikipedia:Amrinone phenio.json 3-amino-5-(4-pyridinyl)-1,2-dihydro-2-pyridone|3-amino-5-(4-pyridinyl)-2(1H)-pyridinone|3-amino-5-(pyridin-4-yl)pyridin-2(1H)-one|3-amino-5-pyridin-4-yl-1H-pyridin-2-one|5-amino-1,6-dihydro-6-oxo-[3,4'-bipyridine]|5-amino[3,4'-bipyridin]-6(1H)-one|WIN 40680|WIN-40680|amrinona|amrinone|amrinonum|inamrinone http://purl.obolibrary.org/obo/CHEBI_2686 3_STAR
CHEBI:2687 biolink:ChemicalSubstance amsacrine A sulfonamide that is N-phenylmethanesulfonamide substituted by a methoxy group at position 3 and an acridin-9-ylamino group at position 4. It exhibits antineoplastic activity. CAS:51264-14-3|DrugBank:DB00276|Drug_Central:203|HMDB:HMDB0014421|KEGG:C01553|KEGG:D02321|PMID:17675230|PMID:9625435|Reaxys:500176|Wikipedia:Amsacrine phenio.json 4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide|4'-(9-Acridinylamino)methanesulfon-m-anisidide|4'-(9-Acridinylamino)methanesulfon-meta-anisidide|4'-(9-Acridinylamino)methanesulphon-m-anisidide|Amsacrine|N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide|amsacrina|amsacrinum|mAMSA http://purl.obolibrary.org/obo/CHEBI_2687 3_STAR
CHEBI:26871 biolink:ChemicalSubstance terpene alkaloid phenio.json terpene alkaloids http://purl.obolibrary.org/obo/CHEBI_26871 3_STAR
CHEBI:26872 biolink:ChemicalSubstance terpene ketone Any terpenoid which contains a keto group. phenio.json http://purl.obolibrary.org/obo/CHEBI_26872 3_STAR
CHEBI:26873 biolink:ChemicalSubstance terpenoid Any isoprenoid that is a natural product or related compound formally derived from isoprene units. Terpenoids may contain oxygen in various functional groups. This class is subdivided according to the number of carbon atoms in the parent terpene. The skeleton of terpenoids may differ from strict additivity of isoprene units by the loss or shift of a fragment, generally a methyl group. Wikipedia:Terpenoid phenio.json Terpenoid|terpenoide|terpenoides|terpenoids http://purl.obolibrary.org/obo/CHEBI_26873 3_STAR
CHEBI:26874 biolink:ChemicalSubstance terpenol phenio.json http://purl.obolibrary.org/obo/CHEBI_26874 1_STAR
CHEBI:26875 biolink:ChemicalSubstance terpenyl phosphate phenio.json terpenyl phosphates http://purl.obolibrary.org/obo/CHEBI_26875 3_STAR
CHEBI:26876 biolink:ChemicalSubstance terpineol A family of monoterpenols that have a p-menthane skeleton containing one double bond and bearing a single hydroxy substituent. Wikipedia:Terpineol phenio.json http://purl.obolibrary.org/obo/CHEBI_26876 3_STAR
CHEBI:26878 biolink:ChemicalSubstance tertiary alcohol A tertiary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has three other carbon atoms attached to it. phenio.json tertiary alcohol|tertiary alcohols http://purl.obolibrary.org/obo/CHEBI_26878 3_STAR
CHEBI:26888 biolink:ChemicalSubstance tetrachlorobenzene Any member of the class of chlorobenzenes carrying four chloro groups at unspecified positions. CAS:12408-10-5 phenio.json Tetrachlorbenzol|tetrachlorobenzene http://purl.obolibrary.org/obo/CHEBI_26888 3_STAR
CHEBI:26893 biolink:ChemicalSubstance tetracyclic triterpenoid Any triterpenoid consisting of a tetracyclic skeleton. phenio.json tetracyclic triterpenoids http://purl.obolibrary.org/obo/CHEBI_26893 3_STAR
CHEBI:26895 biolink:ChemicalSubstance tetracyclines A subclass of polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_26895 3_STAR
CHEBI:26900 biolink:ChemicalSubstance tetradecenoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of a tetradecenoic acid. phenio.json tetradecenoyl-coenzyme A|tetradecenoyl-coenzyme As http://purl.obolibrary.org/obo/CHEBI_26900 3_STAR
CHEBI:26901 biolink:ChemicalSubstance benzyltetrahydroisoquinoline phenio.json benzyltetrahydroisoquinolines|tetrahydrobenzylisoquinolines http://purl.obolibrary.org/obo/CHEBI_26901 3_STAR
CHEBI:26904 biolink:ChemicalSubstance tetrahydrocorphin phenio.json http://purl.obolibrary.org/obo/CHEBI_26904 1_STAR
CHEBI:26907 biolink:ChemicalSubstance tetrahydrofolic acid A group of heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid units. phenio.json tetrahydrofolate|tetrahydrofolates|tetrahydrofolic acids http://purl.obolibrary.org/obo/CHEBI_26907 3_STAR
CHEBI:26908 biolink:ChemicalSubstance tetrahydrofolyl glutamate phenio.json http://purl.obolibrary.org/obo/CHEBI_26908 1_STAR
CHEBI:26911 biolink:ChemicalSubstance oxolane A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. CAS:109-99-9|Gmelin:1767|HMDB:HMDB0000246|PMID:12571688|PMID:1811956|PMID:1911404|PMID:19716170|PMID:21316415|PMID:21842397|PMID:2675957|Reaxys:102391|UM-BBD_compID:c0019|Wikipedia:THF phenio.json 1,4-epoxybutane|THF|butane alpha,delta-oxide|butylene oxide|furanidine|oxolane|tetrahydrofuran|tetramethylene oxide http://purl.obolibrary.org/obo/CHEBI_26911 3_STAR
CHEBI:26912 biolink:ChemicalSubstance oxolanes Any oxacycle having an oxolane (tetrahydrofuran) skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_26912 3_STAR
CHEBI:26914 biolink:ChemicalSubstance tetrahydromethanopterin phenio.json http://purl.obolibrary.org/obo/CHEBI_26914 1_STAR
CHEBI:26916 biolink:ChemicalSubstance tetrahydronicotinamide adenine dinucleotide phenio.json tetrahydronicotinamide adenine dinucleotides http://purl.obolibrary.org/obo/CHEBI_26916 3_STAR
CHEBI:26920 biolink:ChemicalSubstance tetrahydropteroyltri-L-glutamate phenio.json http://purl.obolibrary.org/obo/CHEBI_26920 1_STAR
CHEBI:26921 biolink:ChemicalSubstance tetrahydropyridine phenio.json tetrahydropyridines http://purl.obolibrary.org/obo/CHEBI_26921 3_STAR
CHEBI:26925 biolink:ChemicalSubstance naphthalenetetrol A hydroxynaphthalene carrying four hydroxy substituents. phenio.json http://purl.obolibrary.org/obo/CHEBI_26925 3_STAR
CHEBI:26932 biolink:ChemicalSubstance tetrapyrrole A natural pigment containing four pyrrole rings joined by one-carbon units linking position 2 of one pyrrole ring to position 5 of the next. phenio.json a tetrapyrrole|tetrapyrrole|tetrapyrroles http://purl.obolibrary.org/obo/CHEBI_26932 3_STAR
CHEBI:26933 biolink:ChemicalSubstance tetraric acid phenio.json tetraric acids http://purl.obolibrary.org/obo/CHEBI_26933 3_STAR
CHEBI:26935 biolink:ChemicalSubstance tetraterpenoid Any terpenoid derived from a tetraterpene. The term includes compounds in which the C40 skeleton of the parent tetraterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). LIPID_MAPS_class:LMPR0107 phenio.json C40 isoprenoids|tetraterpenoides|tetraterpenoids http://purl.obolibrary.org/obo/CHEBI_26935 3_STAR
CHEBI:26936 biolink:ChemicalSubstance tetrathionate ion phenio.json http://purl.obolibrary.org/obo/CHEBI_26936 1_STAR
CHEBI:26937 biolink:ChemicalSubstance monoatomic tetracation phenio.json monoatomic tetracations|tetravalent inorganic cations http://purl.obolibrary.org/obo/CHEBI_26937 3_STAR
CHEBI:26938 biolink:ChemicalSubstance tetrose A four-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldotetrose) or a ketone group at position 2 (ketotetrose). phenio.json tetrose|tetroses http://purl.obolibrary.org/obo/CHEBI_26938 3_STAR
CHEBI:26945 biolink:ChemicalSubstance thiamine phosphate phenio.json thiamine phosphates http://purl.obolibrary.org/obo/CHEBI_26945 3_STAR
CHEBI:26948 biolink:ChemicalSubstance vitamin B1 Any member of the group of 1,3-thiazolium cations that exhibit biological activity against vitamin B1 deficiency in animals. Symptoms of vitamin B1 deficiency include constipation, loss of apetite, fatigue, nausea, delirium, blurry vision and muscle weakness. Severe vitamin B1 deficiency can also lead to a disease known as beriberi. Vitamin B1 consists of the vitamer thiamin and its acid, aldehyde and phosphorylated derivatives (and their corresponding ionized, salt and hydrate forms). PMID:28859374|PMID:32554808 phenio.json thiamine|thiamines|thiamins|vitamin B1|vitamin B1 vitamer|vitamin B1 vitamers|vitamins B1 http://purl.obolibrary.org/obo/CHEBI_26948 3_STAR
CHEBI:26952 biolink:ChemicalSubstance thioacetic acid KEGG:C01857 phenio.json Thioessigsaeure|ethanethioic acid http://purl.obolibrary.org/obo/CHEBI_26952 3_STAR
CHEBI:26953 biolink:ChemicalSubstance thioadenosine phenio.json http://purl.obolibrary.org/obo/CHEBI_26953 1_STAR
CHEBI:26955 biolink:ChemicalSubstance thiocyanates Esters of thiocyanic acid with general formula RSC#N. phenio.json thiocyanates http://purl.obolibrary.org/obo/CHEBI_26955 3_STAR
CHEBI:26959 biolink:ChemicalSubstance thiocarboxylic ester An ester in which one or both oxygens of an ester group have been replaced by divalent sulfur. phenio.json thiocarboxylic esters http://purl.obolibrary.org/obo/CHEBI_26959 3_STAR
CHEBI:26961 biolink:ChemicalSubstance thiophenes Compounds containing at least one thiophene ring. phenio.json http://purl.obolibrary.org/obo/CHEBI_26961 3_STAR
CHEBI:26965 biolink:ChemicalSubstance thioglycines phenio.json http://purl.obolibrary.org/obo/CHEBI_26965 1_STAR
CHEBI:26975 biolink:ChemicalSubstance thioribose phosphate phenio.json thioribose phosphate|thioribose phosphates http://purl.obolibrary.org/obo/CHEBI_26975 3_STAR
CHEBI:26976 biolink:ChemicalSubstance thioribose Any ribose derivative in which at least one of the oxygen atoms of the ribose moiety has been replaced by sulfur. phenio.json thioriboses http://purl.obolibrary.org/obo/CHEBI_26976 3_STAR
CHEBI:26977 biolink:ChemicalSubstance thiosulfate An ester of thiosulfuric acid. phenio.json ester of thiosulfuric acid|esters of thiosulfuric acid|thiosulfate ester|thiosulfate esters|thiosulfates|thiosulphate|thiosulphates http://purl.obolibrary.org/obo/CHEBI_26977 3_STAR
CHEBI:26979 biolink:ChemicalSubstance organic heterotricyclic compound An organic tricyclic compound in which at least one of the rings of the tricyclic skeleton contains one or more heteroatoms. phenio.json heterotricyclic compounds|organic heterotricyclic compounds http://purl.obolibrary.org/obo/CHEBI_26979 3_STAR
CHEBI:26980 biolink:ChemicalSubstance tetritol phosphate phenio.json tetritol phosphate|tetritol phosphates http://purl.obolibrary.org/obo/CHEBI_26980 3_STAR
CHEBI:26981 biolink:ChemicalSubstance threitol CAS:7493-90-5|Gmelin:82500|PMID:20717558 phenio.json (R*,R*)-1,2,3,4-butanetetrol|rel-(2R,3R)-butane-1,2,3,4-tetrol|threo-tetritol http://purl.obolibrary.org/obo/CHEBI_26981 3_STAR
CHEBI:26984 biolink:ChemicalSubstance threonic acid Beilstein:1722842|Beilstein:8036290|CAS:3909-12-4 phenio.json (R*,S*)-2,3,4-trihydroxybutanoic acid|2,3,4-trihydroxy-(threo)-butanoic acid|rel-(2R,3S)-2,3,4-trihydroxybutanoic acid|threonic acid http://purl.obolibrary.org/obo/CHEBI_26984 3_STAR
CHEBI:26986 biolink:ChemicalSubstance threonine An alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 1-hydroxyethyl group. Beilstein:8204750|CAS:80-68-2|PMID:11379295|PMID:15221503|PMID:22264337|Wikipedia:Threonine phenio.json Threonin|threonine http://purl.obolibrary.org/obo/CHEBI_26986 3_STAR
CHEBI:26987 biolink:ChemicalSubstance threonine derivative An amino acid derivative resulting from reaction of threonine at the amino group or the carboxy group, or from the replacement of any hydrogen of threonine by a heteroatom. The definition normally excludes peptides containing threonine residues. phenio.json threonine derivatives http://purl.obolibrary.org/obo/CHEBI_26987 3_STAR
CHEBI:26995 biolink:ChemicalSubstance thromboxane A class of oxygenated oxane derivatives, originally derived from prostaglandin precursors in platelets, that stimulate aggregation of platelets and constriction of blood vessels. LIPID_MAPS_class:LMFA0303|Wikipedia:Thromboxane phenio.json thromboxane|thromboxanes http://purl.obolibrary.org/obo/CHEBI_26995 3_STAR
CHEBI:26996 biolink:ChemicalSubstance thromboxanes B phenio.json TXB http://purl.obolibrary.org/obo/CHEBI_26996 3_STAR
CHEBI:2700 biolink:ChemicalSubstance anandamide An N-acylethanolamine 20:4 resulting from the formal condensation of carboxy group of arachidonic acid with the amino group of ethanolamine. CAS:94421-68-8|Chemspider:4445241|FooDB:FDB023303|HMDB:HMDB0004080|KEGG:C11695|LIPID_MAPS_instance:LMFA08040001|MetaCyc:CPD-7598|PDBeChem:E7Y|PMID:15047233|PMID:15797258|PMID:15944392|PMID:15997233|PMID:16118355|PMID:16957004|PMID:18227059|PMID:18691603|PMID:19330032|PMID:29363071|PMID:29546791|PMID:31610409|PMID:32195347|PMID:33551019|PMID:33713246|PMID:33731590|Reaxys:7079463|Wikipedia:Anandamide phenio.json (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)-5,8,11,14-eicosatetraenamide|(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide|(all-Z)-N-(2-hydroxyethyl)-5,8,11,14-eicosatetraenamide|AEA|Anandamide|Anandamide (20.4, N-6)|Anandamide(20:4, N-6)|Arachidonic acid N-(hydroxyethyl)amide|Arachidonylethanolamide|N-(2-Hydroxyethyl)anachidonamide|N-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-ethanolamine|N-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-ethanolamine|N-(5Z,8Z,11Z,14Z-icosatetraenoyl)-ethanolamide|N-arachidonoyl ethanolamine|N-arachidonoyl-2-hydroxyethylamide|N-arachidonoylethanolamine|arachidonoyl ethanolamide http://purl.obolibrary.org/obo/CHEBI_2700 3_STAR
CHEBI:27001 biolink:ChemicalSubstance thymidine phosphate phenio.json thymidine phosphates http://purl.obolibrary.org/obo/CHEBI_27001 3_STAR
CHEBI:27007 biolink:ChemicalSubstance tin atom CAS:7440-31-5|UM-BBD_compID:c0585|WebElements:Sn phenio.json 50Sn|Sn|Zinn|estano|etain|stannum|tin http://purl.obolibrary.org/obo/CHEBI_27007 3_STAR
CHEBI:27008 biolink:ChemicalSubstance tin molecular entity phenio.json tin compounds|tin molecular entities http://purl.obolibrary.org/obo/CHEBI_27008 3_STAR
CHEBI:27013 biolink:ChemicalSubstance tocopherol A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain. CAS:1406-66-2|Wikipedia:Tocopherol phenio.json Methyltocols|Tocopherol|Tocopherols|tocoferol|tocoferoles|tocopherol|tocopherols http://purl.obolibrary.org/obo/CHEBI_27013 3_STAR
CHEBI:27021 biolink:ChemicalSubstance toluate phenio.json toluates http://purl.obolibrary.org/obo/CHEBI_27021 3_STAR
CHEBI:27023 biolink:ChemicalSubstance toluene-4-sulfonate An arenesulfonate oxoanion that is the conjugate base of toluene-4-sulfonic acid. Beilstein:1569490|CAS:16722-51-3|Gmelin:327129|UM-BBD_compID:c0301 phenio.json 4-methylbenzenesulfonate|4-methylbenzenesulfonic acid, ion(1-)|4-toluene sulfonate|4-toluenesulfonate|p-toluene sulfonate|p-toluenesulfonate|toluene-4-sulfonate|tosylate http://purl.obolibrary.org/obo/CHEBI_27023 3_STAR
CHEBI:27024 biolink:ChemicalSubstance toluenes Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group. phenio.json http://purl.obolibrary.org/obo/CHEBI_27024 3_STAR
CHEBI:27026 biolink:ChemicalSubstance toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. Wikipedia:Toxin phenio.json toxin|toxins http://purl.obolibrary.org/obo/CHEBI_27026 3_STAR
CHEBI:27027 biolink:ChemicalSubstance micronutrient Any nutrient required in small quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Wikipedia:Micronutrient phenio.json micronutrients|trace elements http://purl.obolibrary.org/obo/CHEBI_27027 3_STAR
CHEBI:2704 biolink:ChemicalSubstance anastrozole A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position. Beilstein:8005958|CAS:120511-73-1|DrugBank:DB01217|Drug_Central:210|KEGG:C08159|KEGG:D00960|LINCS:LSM-5631|Patent:EP296749|Patent:US4935437|Wikipedia:Anastrozole phenio.json 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile)|Anastrozol|alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile|anastrozole http://purl.obolibrary.org/obo/CHEBI_2704 3_STAR
CHEBI:27066 biolink:ChemicalSubstance (9R,10R)-9,10-dihydrophenanthrene-9,10-diol Beilstein:2053335|Beilstein:5743772|UM-BBD_compID:c0534 phenio.json (9R,10R)-9,10-dihydrophenanthrene-9,10-diol|trans-9R,10R-dihydrodiolphenanthrene http://purl.obolibrary.org/obo/CHEBI_27066 3_STAR
CHEBI:27081 biolink:ChemicalSubstance transition element atom An element whose atom has an incomplete d sub-shell, or which can give rise to cations with an incomplete d sub-shell. phenio.json Uebergangselement|Uebergangsmetalle|metal de transicion|metal de transition|metales de transicion|metaux de transition|transition element|transition elements|transition metal|transition metals http://purl.obolibrary.org/obo/CHEBI_27081 3_STAR
CHEBI:27082 biolink:ChemicalSubstance trehalose A disaccharide formed by a (1<->1)-glycosidic bond between two units of D-glucose. phenio.json http://purl.obolibrary.org/obo/CHEBI_27082 3_STAR
CHEBI:27083 biolink:ChemicalSubstance trehalose mycolate phenio.json http://purl.obolibrary.org/obo/CHEBI_27083 1_STAR
CHEBI:27084 biolink:ChemicalSubstance trehalose phosphate phenio.json trehalose phosphates http://purl.obolibrary.org/obo/CHEBI_27084 3_STAR
CHEBI:27086 biolink:ChemicalSubstance tributylstannane Beilstein:3587329|CAS:688-73-3|Gmelin:4258|UM-BBD_compID:c0579 phenio.json SnBu3H|TBT|Tri-n-butyltin|Tri-n-butyltin hydride|Tributyltin|[Sn(Bu)3H]|tributylstannane http://purl.obolibrary.org/obo/CHEBI_27086 3_STAR
CHEBI:27092 biolink:ChemicalSubstance tricarboxylic acid trianion phenio.json tricarboxylate|tricarboxylates|tricarboxylic acid trianions http://purl.obolibrary.org/obo/CHEBI_27092 3_STAR
CHEBI:27093 biolink:ChemicalSubstance tricarboxylic acid An oxoacid containing three carboxy groups. Wikipedia:Tricarboxylic_acid phenio.json Tricarbonsaeure|Trikarbonsaeure|tricarboxylic acids http://purl.obolibrary.org/obo/CHEBI_27093 3_STAR
CHEBI:27096 biolink:ChemicalSubstance trichlorobenzene Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions. Wikipedia:Trichlorobenzene phenio.json Trichlorbenzol|trichlorobenzene http://purl.obolibrary.org/obo/CHEBI_27096 3_STAR
CHEBI:27102 biolink:ChemicalSubstance trichlorophenol Any one of the six possible isomers of trichlorophenol. Wikipedia:Trichlorophenol phenio.json http://purl.obolibrary.org/obo/CHEBI_27102 3_STAR
CHEBI:27105 biolink:ChemicalSubstance tridecadienoic acid A C13 carboxylic acid having two double bonds at unspecified positions in the chain. phenio.json tridecadienoic acids http://purl.obolibrary.org/obo/CHEBI_27105 3_STAR
CHEBI:27110 biolink:ChemicalSubstance trifluoroacetate CAS:14477-72-6|Gmelin:82342|UM-BBD_compID:c0799 phenio.json CF3CO2 anion|CF3COO(-)|tfa|trifluoroacetate|trifluoroacetic acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_27110 3_STAR
CHEBI:27114 biolink:ChemicalSubstance trihydroxy-5beta-cholanic acid phenio.json trihydroxy-5beta-cholanic acids http://purl.obolibrary.org/obo/CHEBI_27114 3_STAR
CHEBI:27115 biolink:ChemicalSubstance trihydroxybenzoic acid phenio.json trihydroxybenzoic acids http://purl.obolibrary.org/obo/CHEBI_27115 3_STAR
CHEBI:27116 biolink:ChemicalSubstance trihydroxyflavone Any hydroxyflavone carrying three hydroxy groups at unspecified positions. phenio.json trihydroxyflavones http://purl.obolibrary.org/obo/CHEBI_27116 3_STAR
CHEBI:27118 biolink:ChemicalSubstance naphthalenetriol A hydroxynaphthalene substituted by at least three hydroxy groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_27118 3_STAR
CHEBI:27119 biolink:ChemicalSubstance trihydroxytoluene Any hydroxytoluene that has three hydroxy substituents. phenio.json http://purl.obolibrary.org/obo/CHEBI_27119 3_STAR
CHEBI:27120 biolink:ChemicalSubstance triihydroxypyridine phenio.json triihydroxypyridines http://purl.obolibrary.org/obo/CHEBI_27120 3_STAR
CHEBI:27124 biolink:ChemicalSubstance trimethoxyflavone A methoxyflavone that is flavone substituted by three methoxy groups. phenio.json trimethoxyflavones http://purl.obolibrary.org/obo/CHEBI_27124 3_STAR
CHEBI:27134 biolink:ChemicalSubstance trimethylxanthine phenio.json trimethylxanthines http://purl.obolibrary.org/obo/CHEBI_27134 3_STAR
CHEBI:27135 biolink:ChemicalSubstance trinitrotoluene phenio.json http://purl.obolibrary.org/obo/CHEBI_27135 1_STAR
CHEBI:27136 biolink:ChemicalSubstance triol A chemical compound containing three hydroxy groups. phenio.json triols http://purl.obolibrary.org/obo/CHEBI_27136 3_STAR
CHEBI:27137 biolink:ChemicalSubstance triose A monosaccharide containing three carbon atoms, which is important in respiration. Only two trioses occur naturally: the aldotriose glyceraldehyde and the ketotriose dihydroxyacetone. phenio.json triose|trioses http://purl.obolibrary.org/obo/CHEBI_27137 3_STAR
CHEBI:271436 biolink:ChemicalSubstance N,N-dimethylethanolamine A tertiary amine that is ethanolamine having two N-methyl substituents. CAS:108-01-0|Drug_Central:787|HMDB:HMDB0032231|PMID:10930630|PMID:112632|PMID:150413|PMID:15675889|PMID:17300230|PMID:22300295|PMID:251230|PMID:3173167|PMID:3361965|PMID:6099712|PMID:6106283|PMID:6679337|PMID:6694079|PMID:7020434|PMID:830732|PMID:850128|PMID:913228|Reaxys:1209235|Wikipedia:Dimethylethanolamine phenio.json (2-Hydroxyethyl)dimethylamine|2-(Dimethylamino)-1-ethanol|2-(N,N-Dimethylamino)ethanol|2-(dimethylamino)ethanol|2-Dimethylaminoethanol|DMAE|DMEA|Deanol|Dimethyl(2-hydroxyethyl)amine|Dimethyl(hydroxyethyl)amine|Dimethylaethanolamin|Dimethylaminoaethanol|Dimethylethanolamine|Dimethylmonoethanolamine|N,N-Dimethyl-2-aminoethanol|N,N-Dimethyl-2-hydroxyethylamine|N,N-Dimethyl-N-(2-hydroxyethyl)amine|N,N-Dimethyl-N-(beta-hydroxyethyl)amine|N,N-Dimethylaminoethanol|N,N-Dimethylethanolamine|N,N-dimethylethanolamine|N-(2-Hydroxyethyl)dimethylamine|N-Dimethylaminoethanol|Norcholine|Propamine A|beta-Dimethylaminoethyl alcohol|beta-Hydroxyethyldimethylamine http://purl.obolibrary.org/obo/CHEBI_271436 3_STAR
CHEBI:27150 biolink:ChemicalSubstance trisaccharide Wikipedia:Trisaccharide phenio.json trisaccharides http://purl.obolibrary.org/obo/CHEBI_27150 3_STAR
CHEBI:27153 biolink:ChemicalSubstance monoatomic trication phenio.json monoatomic trications|trivalent inorganic cations http://purl.obolibrary.org/obo/CHEBI_27153 3_STAR
CHEBI:2716 biolink:ChemicalSubstance anethole A monomethoxybenzene that is methoxybenzene substituted by a prop-1-en-1-yl group at position 4. CAS:104-46-1|LINCS:LSM-37103|PMID:24689303|Reaxys:774229 phenio.json 1-methoxy-4-(prop-1-en-1-yl)benzene|methyl 4-(prop-1-en-1-yl)phenyl ether|p-propenylanisole http://purl.obolibrary.org/obo/CHEBI_2716 3_STAR
CHEBI:27162 biolink:ChemicalSubstance tryptamines Tryptamine and its substitution derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_27162 3_STAR
CHEBI:27164 biolink:ChemicalSubstance tryptophan derivative An amino acid derivative resulting from reaction of tryptophan at the amino group or the carboxy group, or from the replacement of any hydrogen of tryptophan by a heteroatom. The definition normally excludes peptides containing tryptophan residues. phenio.json tryptophan derivatives http://purl.obolibrary.org/obo/CHEBI_27164 3_STAR
CHEBI:27171 biolink:ChemicalSubstance organic heterobicyclic compound phenio.json heterobicyclic compounds|organic heterobicyclic compounds http://purl.obolibrary.org/obo/CHEBI_27171 3_STAR
CHEBI:27175 biolink:ChemicalSubstance tyramines Aralkylamino compounds which contain a tyramine skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_27175 3_STAR
CHEBI:27177 biolink:ChemicalSubstance L-tyrosine derivative A proteinogenic amino acid derivative resulting from reaction of L-tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-tyrosine by a heteroatom. phenio.json L-tyrosine derivatives http://purl.obolibrary.org/obo/CHEBI_27177 3_STAR
CHEBI:27191 biolink:ChemicalSubstance undecaprenols Polyprenols comprising eleven prenyl units with a terminal hydroxy group. phenio.json http://purl.obolibrary.org/obo/CHEBI_27191 3_STAR
CHEBI:27193 biolink:ChemicalSubstance undecaprenyl phosphate phenio.json undecaprenyl phosphates http://purl.obolibrary.org/obo/CHEBI_27193 3_STAR
CHEBI:27194 biolink:ChemicalSubstance undecaprenyldiphospho-N-acetylmuramoyl peptide phenio.json undecaprenyldiphospho-N-acetylmuramoyl peptides http://purl.obolibrary.org/obo/CHEBI_27194 3_STAR
CHEBI:27207 biolink:ChemicalSubstance univalent carboacyl group A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid. phenio.json univalent acyl group|univalent carboacyl groups|univalent carboxylic acyl groups http://purl.obolibrary.org/obo/CHEBI_27207 3_STAR
CHEBI:27208 biolink:ChemicalSubstance unsaturated fatty acid Any fatty acid containing at least one C=C or C#C bond. LIPID_MAPS_class:LMFA0103|PMID:5322381 phenio.json alkene acid|olefinic acid|unsaturated fatty acids http://purl.obolibrary.org/obo/CHEBI_27208 3_STAR
CHEBI:27216 biolink:ChemicalSubstance urate(2-) phenio.json urate dianion http://purl.obolibrary.org/obo/CHEBI_27216 3_STAR
CHEBI:27226 biolink:ChemicalSubstance uric acid An oxopurine that is the final oxidation product of purine metabolism. HMDB:HMDB0000289|Wikipedia:Uric_acid phenio.json uric acids http://purl.obolibrary.org/obo/CHEBI_27226 3_STAR
CHEBI:27232 biolink:ChemicalSubstance uridine 5'-phosphate phenio.json uridine 5'-phosphates http://purl.obolibrary.org/obo/CHEBI_27232 3_STAR
CHEBI:27237 biolink:ChemicalSubstance uridine phosphate phenio.json uridine phosphates http://purl.obolibrary.org/obo/CHEBI_27237 3_STAR
CHEBI:27242 biolink:ChemicalSubstance uridines phenio.json http://purl.obolibrary.org/obo/CHEBI_27242 3_STAR
CHEBI:27247 biolink:ChemicalSubstance urocanate An monocarboxylic acid anion that is the conjugate base of urocanic acid. ECMDB:ECMDB21396|KEGG:C00785|MetaCyc:UROCANATE phenio.json 3-(1H-imidazol-4-yl)prop-2-enoate|urocanate http://purl.obolibrary.org/obo/CHEBI_27247 3_STAR
CHEBI:27248 biolink:ChemicalSubstance urocanic acid An alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine. CAS:104-98-3|ECMDB:ECMDB21396|HMDB:HMDB0000301|MetaCyc:UROCANATE|PDBeChem:URO|PMID:11669511|PMID:24397532|PMID:24627570|Reaxys:8128219|Wikipedia:Urocanic_acid phenio.json 3-(1H-imidazol-4-yl)-2-propenoic acid|3-(1H-imidazol-4-yl)prop-2-enoic acid|3-imidazol-4-ylacrylic acid http://purl.obolibrary.org/obo/CHEBI_27248 3_STAR
CHEBI:27252 biolink:ChemicalSubstance uronic acid A carbohydrate acid formally derived by oxidation to a carboxy group of the terminal -CH2OH group of any aldose or ketose. phenio.json uronic acid|uronic acids http://purl.obolibrary.org/obo/CHEBI_27252 3_STAR
CHEBI:27258 biolink:ChemicalSubstance uroporphyrinogen phenio.json uroporphyrinogens http://purl.obolibrary.org/obo/CHEBI_27258 3_STAR
CHEBI:27266 biolink:ChemicalSubstance valine A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group. CAS:516-06-3|Gmelin:49877|KEGG:C16436|PMID:17190852|PMID:22770225|Reaxys:506689|Wikipedia:Valine phenio.json 2-amino-3-methylbutanoic acid|DL-valine|Hval|Valin|valina|valine http://purl.obolibrary.org/obo/CHEBI_27266 3_STAR
CHEBI:27267 biolink:ChemicalSubstance valine derivative An amino acid derivative resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of valine by a heteroatom. The definition normally excludes peptides containing valine residues. phenio.json http://purl.obolibrary.org/obo/CHEBI_27267 3_STAR
CHEBI:27273 biolink:ChemicalSubstance vanadic acid Gmelin:82029 phenio.json H3VO4|Vanadiumsaeure|[VO(OH)3]|trihydrogen(tetraoxidovanadate)|trihydroxidooxidovanadium http://purl.obolibrary.org/obo/CHEBI_27273 3_STAR
CHEBI:27275 biolink:ChemicalSubstance vanadium molecular entity phenio.json vanadium compounds|vanadium molecular entities|vanadium molecular entity http://purl.obolibrary.org/obo/CHEBI_27275 3_STAR
CHEBI:27283 biolink:ChemicalSubstance very long-chain fatty acid A fatty acid which has a chain length greater than C22. Very long-chain fatty acids which have a chain length greater than C27 are also known as ultra-long-chain fatty acids. LIPID_MAPS_instance:LMFA01010025 phenio.json VLCFA|VLCFAs|higher fatty acid|very long-chain fatty acids http://purl.obolibrary.org/obo/CHEBI_27283 3_STAR
CHEBI:27288 biolink:ChemicalSubstance vinca alkaloid A group of indole-indoline dimers which are alkaloids obtained from the Vinca genus of plants, together with semi-synthetic and fully synthetic analogues. Wikipedia:Vinca_alkaloid phenio.json vinca alkaloid|vinca alkaloids|vincaleukoblastines http://purl.obolibrary.org/obo/CHEBI_27288 3_STAR
CHEBI:27295 biolink:ChemicalSubstance violaxanthin An epoxycarotenol that is 5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene substituted by hydroxy groups at positions 3 and 3'. It is the naturally occurring xanthophyll pigment found in a variety of plants. phenio.json http://purl.obolibrary.org/obo/CHEBI_27295 3_STAR
CHEBI:27300 biolink:ChemicalSubstance vitamin D Any member of a group of fat-soluble hydroxy seco-steroids that exhibit biological activity against vitamin D deficiency. Vitamin D can be obtained from sun exposure, food and supplements and is biologically inactive and converted into the biologically active calcitriol via double hydroxylation in the body. MetaCyc:Vitamin-D|Wikipedia:Vitamin_D phenio.json D vitamins|vitamin D vitamer|vitamin D vitamers|vitamin Ds|vitamins D http://purl.obolibrary.org/obo/CHEBI_27300 3_STAR
CHEBI:27306 biolink:ChemicalSubstance vitamin B6 Any member of the group of pyridines that exhibit biological activity against vitamin B6 deficiency. Vitamin B6 deficiency is associated with microcytic anemia, electroencephalographic abnormalities, dermatitis with cheilosis (scaling on the lips and cracks at the corners of the mouth) and glossitis (swollen tongue), depression and confusion, and weakened immune function. Vitamin B6 consists of the vitamers pyridoxine, pyridoxal, and pyridoxamine and their respective 5'-phosphate esters (and includes their corresponding ionized and salt forms). phenio.json Vitamin B6|vitamin B-6|vitamin B6 vitamer|vitamin B6 vitamers|vitamina B6|vitamine B6|vitamins B6 http://purl.obolibrary.org/obo/CHEBI_27306 3_STAR
CHEBI:27311 biolink:ChemicalSubstance volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. Wikipedia:Essential_oil phenio.json essential oil component|essential oil components|ethereal oil component|ethereal oil components|volatile oil components http://purl.obolibrary.org/obo/CHEBI_27311 3_STAR
CHEBI:27314 biolink:ChemicalSubstance water-soluble vitamin (role) Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. phenio.json wasserloesliche Vitamine|water-soluble vitamin|water-soluble vitamins http://purl.obolibrary.org/obo/CHEBI_27314 3_STAR
CHEBI:27323 biolink:ChemicalSubstance xanthommatins phenio.json http://purl.obolibrary.org/obo/CHEBI_27323 3_STAR
CHEBI:27325 biolink:ChemicalSubstance xanthophyll A subclass of carotenoids consisting of the oxygenated carotenes. DrugBank:DB00137 phenio.json xanthophylls http://purl.obolibrary.org/obo/CHEBI_27325 3_STAR
CHEBI:27329 biolink:ChemicalSubstance xanthosine phosphate phenio.json xanthosine phosphates http://purl.obolibrary.org/obo/CHEBI_27329 3_STAR
CHEBI:27338 biolink:ChemicalSubstance xylene CAS:1330-20-7|KEGG:C19551|Wikipedia:Xylene phenio.json Dimethylbenzol|Xylol|Xylole|dimethylbenzene|methyl toluene|methyltoluene|xileno|xilenos|xylene|xylenes http://purl.obolibrary.org/obo/CHEBI_27338 3_STAR
CHEBI:27341 biolink:ChemicalSubstance xylitol phosphate phenio.json xylitol phosphate|xylitol phosphates http://purl.obolibrary.org/obo/CHEBI_27341 3_STAR
CHEBI:27343 biolink:ChemicalSubstance xylogalacturonan phenio.json http://purl.obolibrary.org/obo/CHEBI_27343 1_STAR
CHEBI:27345 biolink:ChemicalSubstance xylonate phenio.json rel-(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoate|xylonate http://purl.obolibrary.org/obo/CHEBI_27345 3_STAR
CHEBI:27346 biolink:ChemicalSubstance xylonates phenio.json http://purl.obolibrary.org/obo/CHEBI_27346 3_STAR
CHEBI:27347 biolink:ChemicalSubstance xylonolactone phenio.json xylonolactones http://purl.obolibrary.org/obo/CHEBI_27347 3_STAR
CHEBI:27349 biolink:ChemicalSubstance xylose phosphate phenio.json xylose phosphate|xylose phosphates http://purl.obolibrary.org/obo/CHEBI_27349 3_STAR
CHEBI:2735 biolink:ChemicalSubstance Anisodamine CAS:55869-99-3|KEGG:C10842|KNApSAcK:C00002274 phenio.json 6-Hydroxyhyoscyamine|Anisodamine http://purl.obolibrary.org/obo/CHEBI_2735 2_STAR
CHEBI:27350 biolink:ChemicalSubstance xyloside phenio.json xyloside|xylosides http://purl.obolibrary.org/obo/CHEBI_27350 3_STAR
CHEBI:27353 biolink:ChemicalSubstance xylulose phenio.json threo-pent-2-ulose http://purl.obolibrary.org/obo/CHEBI_27353 3_STAR
CHEBI:27354 biolink:ChemicalSubstance xylulose 5-phosphate A xylulose phosphate in which the phosphate group is at position 5. It is an intermediate metabolite in the pentose phosphate pathway. PMID:24659577|Wikipedia:Xylulose_5-phosphate phenio.json xylulose 5-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_27354 3_STAR
CHEBI:27355 biolink:ChemicalSubstance xylulose phosphate phenio.json xylulose phosphate|xylulose phosphates http://purl.obolibrary.org/obo/CHEBI_27355 3_STAR
CHEBI:27358 biolink:ChemicalSubstance yohimban alkaloid phenio.json http://purl.obolibrary.org/obo/CHEBI_27358 1_STAR
CHEBI:27362 biolink:ChemicalSubstance zeta-carotene KEGG:C05430 phenio.json 2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,26,30-undecaene http://purl.obolibrary.org/obo/CHEBI_27362 3_STAR
CHEBI:27363 biolink:ChemicalSubstance zinc atom CAS:7440-66-6|Gmelin:16321|KEGG:C00038|PDBeChem:ZN|WebElements:Zn phenio.json 30Zn|Zink|Zn|Zn(II)|Zn2+|cinc|zinc|zincum http://purl.obolibrary.org/obo/CHEBI_27363 3_STAR
CHEBI:27364 biolink:ChemicalSubstance zinc molecular entity phenio.json zinc compounds|zinc molecular entities http://purl.obolibrary.org/obo/CHEBI_27364 3_STAR
CHEBI:27365 biolink:ChemicalSubstance zinc ion phenio.json zinc ion|zinc ions http://purl.obolibrary.org/obo/CHEBI_27365 3_STAR
CHEBI:27369 biolink:ChemicalSubstance zwitterion A neutral compound having formal unit electrical charges of opposite sign on non-adjacent atoms. Sometimes referred to as inner salts, dipolar ions (a misnomer). phenio.json compose zwitterionique|compuestos zwitterionicos|zwitterion|zwitteriones|zwitterionic compounds|zwitterions http://purl.obolibrary.org/obo/CHEBI_27369 3_STAR
CHEBI:27372 biolink:ChemicalSubstance 1D-chiro-inositol Belonging to the inositol family of compounds, D-chiro-inositol (DCI) is an isomer of glucose. It is an important secondary messenger in insulin signal transduction. CAS:643-12-9|Chemspider:10254647|DrugBank:DB15350|FooDB:FDB001138|HMDB:HMDB0240209|KEGG:C19891|KNApSAcK:C00053119|PDBeChem:CBU|PMID:18783340|PMID:22843669|PMID:25315464|PMID:31382802|PMID:33188584|PMID:33506934|PMID:33755975|PMID:33859622|PMID:34073634|PMID:34078260|PMID:34335474|PMID:37111094|PMID:38005597|PMID:38117862|PMID:38568465|Wikipedia:1D-chiro-Inositol phenio.json (+)-Inositol|(+)-chiro-inositol|(1R,2R,3S,4S,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol|1,2,4/3,5,6-cyclohexanehexol|1D-chiro-inositol|D-(+)-chiro-inositol|D-chiro-inositol|D-inositol|DCI|cis-1,2,4-trans-3,5,6-Cyclohexanehexol http://purl.obolibrary.org/obo/CHEBI_27372 3_STAR
CHEBI:27373 biolink:ChemicalSubstance pantothenol A monocarboxylic acid amide that is 3,3-dimethylbutanamide substituted by hydroxy groups at positions 2 and 4 and a 3-hydroxypropyl group at the carbomyl nitrogen. CAS:81-13-0|Drug_Central:838|KEGG:C05944|KEGG:D00193|PMID:24506320|PMID:24759689|PMID:25040679|Patent:CH227706|Patent:GB582156|Patent:US2413077|Reaxys:1724947|Wikipedia:Dexpanthenol phenio.json (+)-Panthenol|(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide|(R)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide|2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide|Bepanthen|Bepanthene|Bepantol|Cozyme|D(+)-Panthenol|D(+)-Pantothenyl alcohol|D-(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramide|D-P-A Injection|D-Panthenol|Dexpanthenol|Ilopan|Motilyn|N-Pantoyl-propanolamine|Panadon|Panthenol|Panthoderm|Pantol|Pantothenol|Pantothenyl alcohol|Provitamin B|Synapan|Thenalton|Zentinic|d-Pantothenol|d-Pantothenyl alcohol|dexpanthenol http://purl.obolibrary.org/obo/CHEBI_27373 3_STAR
CHEBI:27374 biolink:ChemicalSubstance 1L-chiro-inositol CAS:551-72-4|KEGG:C06151 phenio.json (-)-Inositol|(1R,2R,3R,4R,5S,6S)-cyclohexane-1,2,3,4,5,6-hexol|1,2,4/3,5,6-cyclohexanehexol|1L-chiro-inositol|L-Inositol http://purl.obolibrary.org/obo/CHEBI_27374 3_STAR
CHEBI:27375 biolink:ChemicalSubstance vincaleukoblastine Beilstein:4779207|CAS:865-21-4|DrugBank:DB00570|Drug_Central:2823|HMDB:HMDB0014710|KEGG:C07201|KEGG:D08675|KNApSAcK:C00001781|PDBeChem:VLB|PMID:11878966|PMID:15917812|PMID:20394103|PMID:22868758|PMID:25586069|PMID:26660762|PMID:27518442|PMID:35404502|Wikipedia:Vinblastine phenio.json (+)-vinblastine|(2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE|VLB|vinblastina|vinblastine|vinblastinum|vincaleukoblastine http://purl.obolibrary.org/obo/CHEBI_27375 3_STAR
CHEBI:27376 biolink:ChemicalSubstance methanesulfonic acid An alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl. CAS:75-75-2|Gmelin:1681|KEGG:C11145|MetaCyc:CPD-3746|PMID:24304088|PMID:24593036|Reaxys:1446024|Wikipedia:Methanesulfonic_acid phenio.json Methanesulfonic acid|Methansulfonsaeure|methanesulfonic acid|methylsulfonic acid http://purl.obolibrary.org/obo/CHEBI_27376 3_STAR
CHEBI:27378 biolink:ChemicalSubstance (2S,3R)-aldopyranose Any aldose having 2S,3R-threo stereochemistry. A representative structure is provided. KEGG:C02143|MetaCyc:CPD-8548 phenio.json (2S,3R)-Aldose|D-threo-aldose|a D-threo-aldose http://purl.obolibrary.org/obo/CHEBI_27378 3_STAR
CHEBI:27379 biolink:ChemicalSubstance 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA A cholestanoyl-CoA formed by thioester linkage between 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oic acid and coenzyme A. KEGG:C05467 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3alpha,7alpha,12alpha-Trihydroxy-24-oxo-5beta-cholestanoyl-CoA|3alpha,7alpha,12alpha-Trihydroxy-5beta-24-oxocholestanoyl-CoA|3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_27379 3_STAR
CHEBI:27380 biolink:ChemicalSubstance (1->6)-beta-D-glucan KEGG:C02493 phenio.json (1->6)-beta-D-glucopyranan|1,6-beta-D-Glucan http://purl.obolibrary.org/obo/CHEBI_27380 3_STAR
CHEBI:27384 biolink:ChemicalSubstance 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid An imidazol-4-one having a 2-carboxyethyl substituent at the 5-position. CAS:17340-16-8|KEGG:C03680 phenio.json 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid|4,5-Dihydro-4-oxo-5-imidazolepropanoate|4,5-Dihydro-5-oxo-1H-imidazole-4-propanoic acid|4-Imidazolone-5-propanoate|4-Imidazolone-5-propionic acid|Imidazol-4-one-5-propionic acid http://purl.obolibrary.org/obo/CHEBI_27384 3_STAR
CHEBI:27385 biolink:ChemicalSubstance tetrachloromethane A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. CAS:56-23-5|Drug_Central:3067|Gmelin:2347|HMDB:HMDB0031330|KEGG:C07561|LINCS:LSM-37019|PMID:24395137|PMID:24726765|PPDB:1350|Reaxys:1098295|UM-BBD_compID:c0486|Wikipedia:Carbon_Tetrachloride phenio.json CCl4|Carbon tetrachloride|Kohlenstofftetrachlorid|Tetra|Tetrachlorkohlenstoff|Tetrachlormethan|Tetrachloromethane|tetrachloridocarbon|tetrachloromethane http://purl.obolibrary.org/obo/CHEBI_27385 3_STAR
CHEBI:27386 biolink:ChemicalSubstance cinnamic acid A monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. CAS:621-82-9|Gmelin:328659|HMDB:HMDB0000567|KEGG:C10438|PMID:19238838|PMID:24636064|PMID:24868863|PMID:7628877|Reaxys:507757|Wikipedia:Cinnamic_acid phenio.json 3-phenyl-2-propenoic acid|3-phenylacrylic acid|3-phenylprop-2-enoic acid|3-phenylpropenoic acid|Cinnamic acid|PhCH=CHCO2H|Zimtsaeure|benzenepropenoic acid|benzylideneacetic acid|beta-phenylacrylic acid|phenylacrylic acid http://purl.obolibrary.org/obo/CHEBI_27386 3_STAR
CHEBI:27389 biolink:ChemicalSubstance 3-aminoisobutyric acid A beta-amino-acid that is isobutyric acid in which one of the methyl hydrogens is substituted by an amino group. Beilstein:1720958|Beilstein:1745458|CAS:10569-72-9|CAS:144-90-1|Gmelin:1520758|HMDB:HMDB0003911|KEGG:C05145|LIPID_MAPS_instance:LMFA01100054|MetaCyc:3-AMINO-ISOBUTYRATE|PMID:11785300|PMID:14576092|PMID:18299183|PMID:18600547|PMID:19186330|PMID:19735301|PMID:22735334|PMID:2274753|PMID:5776546|PMID:639325|PMID:8307374|Reaxys:1720958|Wikipedia:3-Aminoisobutyric_acid phenio.json 2-(aminomethyl)propionic acid|2-Methyl-beta-alanine|3-Amino-2-methylpropanoate|3-Aminoisobutanoate|3-Aminoisobutanoic acid|3-amino-2-methylpropanoic acid|3-aminoisobutyric acid|BAIB|DL-beta-aminoisobutyric acid|alpha-Methyl-beta-alanine|bAib|beta-aminoisobutyric acid http://purl.obolibrary.org/obo/CHEBI_27389 3_STAR
CHEBI:27390 biolink:ChemicalSubstance omega-aminoaldehyde An amino aldehyde that is an aliphatic aldehyde in which one of the hydrogens of the terminal methyl group has been replaced by an amino group. H2NCH2(CH2)nCHO, where n = 0, 1, 2, etc. KEGG:C02903 phenio.json omega-aminoaldehyde|omega-aminoaldehydes http://purl.obolibrary.org/obo/CHEBI_27390 3_STAR
CHEBI:27391 biolink:ChemicalSubstance 1-pyrroline-3-hydroxy-5-carboxylic acid Beilstein:121071|KEGG:C04281 phenio.json 4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_27391 3_STAR
CHEBI:27392 biolink:ChemicalSubstance UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine A UDP-amino sugar having 3-O-(3-hydroxytetradecanoyl)-D-glucosamine as the amino sugar component. phenio.json uridine 5'-{3-[2-amino-2-deoxy-3-O-(3-hydroxytetradecanoyl)-D-glucopyranosyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_27392 3_STAR
CHEBI:27393 biolink:ChemicalSubstance 3alpha,7alpha-dihydroxy-5beta-cholest-24-enoyl-CoA KEGG:C05447 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3alpha,7alpha-dihydroxy-5beta-cholest-24-en-26-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3alpha,7alpha-Dihydroxy-5beta-cholest-24-enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_27393 3_STAR
CHEBI:27398 biolink:ChemicalSubstance imidazole-4-acetaldehyde CAS:645-14-7|KEGG:C05130 phenio.json 1H-Imidazole-4-acetaldehyde|1H-imidazol-4-ylacetaldehyde|Imidazole acetaldehyde|Imidazole-4-acetaldehyde|imidazole-4-acetaldehyde http://purl.obolibrary.org/obo/CHEBI_27398 3_STAR
CHEBI:27402 biolink:ChemicalSubstance (S)-3-hydroxypalmitoyl-CoA A long-chain (3S)-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxypalmitic acid. KEGG:C05258 phenio.json (S)-3-Hydroxyhexadecanoyl-CoA|(S)-3-hydroxyhexadecanoyl-coenzyme A|(S)-3-hydroxypalmitoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_27402 3_STAR
CHEBI:27403 biolink:ChemicalSubstance 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA A cholestanoyl-CoA formed by thioester linkage between 3alpha,7alpha,24-trihydroxy-5beta-cholestanoic acid and coenzyme A. KEGG:C05448 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3alpha,7alpha,24-Trihydroxy-5beta-cholestanoyl-CoA|3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_27403 3_STAR
CHEBI:27404 biolink:ChemicalSubstance 5,6-dihydroxyindole CAS:3131-52-0|DrugBank:DB01811|KEGG:C05578 phenio.json 1H-indole-5,6-diol|5,6-Dihydroxyindole|5,6-dihydroxyindole|DHI|Dopamine lutine http://purl.obolibrary.org/obo/CHEBI_27404 3_STAR
CHEBI:27405 biolink:ChemicalSubstance streptidine An amino cyclitol that is scyllo-inositol in which the hydroxy groups at positions 1 and 3 are replaced by guanidino groups. CAS:85-17-6|HMDB:HMDB0258506|KEGG:C00837|MetaCyc:CPD-10148|PMID:11642734|PMID:15736038|PMID:16956741|PMID:17011831|PMID:17609790|PMID:6076630|Reaxys:2816623 phenio.json 1,1'-(2,4,5,6-Tetrahydroxy-1,3-cyclohexylene)diguanidine|1,1'-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine|1,3-diguanidino-2,4,5,6-cyclohexanetetrol|N,N'''-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine|N,N'-bis(aminoiminomethyl)streptamine|N,N'-diamidinostreptamine|Streptamine, N,N'-bis(aminoiminomethyl)-|Streptidine|streptidin http://purl.obolibrary.org/obo/CHEBI_27405 3_STAR
CHEBI:27412 biolink:ChemicalSubstance gentamycin C1 CAS:25876-10-2|KEGG:C07656 phenio.json (1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-beta-L-lyxo-heptopyranoside|Gentamicin C1|O-2-amino-2,3,4,6,7-pentadeoxy-6-(methylamino)-alpha-D-ribo-heptopyranosyl-(1-4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6))-2-deoxy-D-streptamine http://purl.obolibrary.org/obo/CHEBI_27412 3_STAR
CHEBI:27417 biolink:ChemicalSubstance p-xylene A xylene with methyl groups at positions 1 and 4. CAS:106-42-3|DrugBank:DB03463|Gmelin:2697|HMDB:HMDB0059924|KEGG:C06756|MetaCyc:CPD-1422|PDBeChem:PXY|PMID:23316419|PMID:24028095|Reaxys:1901563|UM-BBD_compID:c0083|Wikipedia:P-Xylene phenio.json 1,4-Dimethylbenzene|1,4-Dimethylbenzol|1,4-xylene|4-methyltoluene|4-xylene|PARA-XYLENE|p-Methyltoluene|p-Xylene|p-Xylol|p-dimethylbenzene|p-xylene|para-xylene http://purl.obolibrary.org/obo/CHEBI_27417 3_STAR
CHEBI:27418 biolink:ChemicalSubstance 1,4-naphthoquinone The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. CAS:130-15-4|Gmelin:240850|KEGG:C02617|PMID:26684482|PMID:28166217|Reaxys:878524 phenio.json 1,4-NQ|1,4-Naphthalenedione|1,4-Naphthoquinone|1,4-dihydro-1,4-diketonaphthalene|[1,4]naphthoquinon|alpha-naphthoquinone|naphthalene-1,4-dione|naphthoquinone|p-naphthoquinone http://purl.obolibrary.org/obo/CHEBI_27418 3_STAR
CHEBI:27425 biolink:ChemicalSubstance N-acetyl-alpha-D-glucosaminide Any N-acetyl-D-glucosaminide having alpha-configuration at the anomeric centre. KEGG:C04019 phenio.json N-Acetyl-alpha-D-glucosaminide|N-acetyl-alpha-D-glucosaminides|an N-acetyl-alpha-D-glucosaminyl derivative http://purl.obolibrary.org/obo/CHEBI_27425 3_STAR
CHEBI:27428 biolink:ChemicalSubstance 3alpha,7alpha-dihydroxy-5beta-cholestan-26-al KEGG:C05445 phenio.json 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al|3alpha,7alpha-dihydroxy-5beta-cholestan-26-al http://purl.obolibrary.org/obo/CHEBI_27428 3_STAR
CHEBI:27432 biolink:ChemicalSubstance alpha-linolenic acid A linolenic acid with cis-double bonds at positions 9, 12 and 15. Shown to have an antithrombotic effect. CAS:463-40-1|DrugBank:DB00132|Drug_Central:4618|Gmelin:57558|HMDB:HMDB0001388|KEGG:C06427|KNApSAcK:C00007247|LIPID_MAPS_instance:LMFA01030152|MetaCyc:LINOLENIC_ACID|PDBeChem:LNL|PMID:10232625|PMID:11304127|PMID:19269799|PMID:24320056|PMID:24639012|PMID:24855655|Reaxys:1727693|Wikipedia:Alpha-Linolenic_acid phenio.json (9,12,15)-linolenic acid|(9Z,12Z,15Z)-Octadecatrienoic acid|(9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid|(Z,Z,Z)-9,12,15-octadecatrienoic acid|9,12,15-Octadecatrienoic acid|9-cis,12-cis,15-cis-octadecatrienoic acid|ALA|ALPHA-LINOLENIC ACID|all-cis-9,12,15-octadecatrienoic acid|alpha-Linolenic acid|alpha-linolenic acid|cis,cis,cis-9,12,15-octadecatrienoic acid|cis-Delta(9,12,15)-octadecatrienoic acid|linolenic acid http://purl.obolibrary.org/obo/CHEBI_27432 3_STAR
CHEBI:27436 biolink:ChemicalSubstance methyltestosterone A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position. CAS:58-18-4|DrugBank:DB06710|Drug_Central:3356|KEGG:C07198|KEGG:D00408|PMID:19199316|Patent:US2374369|Patent:US2374370|Patent:US2384355|Patent:US2386331|Patent:US2435013|Reaxys:2057425 phenio.json (17beta)-17-hydroxy-17-methylandrost-4-en-3-one|17(alpha)-methyl-Delta(4)-androsten-17(beta)-ol-3-one|17-beta-hydroxy-17-methylandrost-4-en-3-one|17-methyltestosterone|17alpha-methyl-3-oxo-4-androsten-17beta-ol|17alpha-methyl-Delta(4)-androsten-17beta-ol-3-one|17alpha-methyltestosterone|17beta-hydroxy-17-methylandrost-4-en-3-one|4-androstene-17alpha-methyl-17beta-ol-3-one|Android|Methyltestosterone|NSC-9701|Testred|Virilon|methyltestosterone|methyltestosteronum|metiltestosterona http://purl.obolibrary.org/obo/CHEBI_27436 3_STAR
CHEBI:27438 biolink:ChemicalSubstance N-acetylneuraminic acid 9-phosphate KEGG:C06241 phenio.json 5-acetamido-3,5-dideoxy-9-phosphono-D-galacto-non-2-ulopyranosonic acid|5-acetamido-3,5-dideoxy-9-phosphono-D-glycero-D-galacto-2-nonulosonic acid|N-Acetylneuraminate 9-phosphate http://purl.obolibrary.org/obo/CHEBI_27438 3_STAR
CHEBI:27442 biolink:ChemicalSubstance beta-D-fucose A D-fucopyranose with a beta-configuration at the anomeric position. DrugBank:DB04062|GlyTouCan:G82562YG|HMDB:HMDB0003081|KEGG:C02095|MetaCyc:CPD-13293|PDBeChem:FCB|PMID:6812077|Reaxys:1617037 phenio.json 6-deoxy-beta-D-galactopyranose|BETA-D-FUCOSE|WURCS=2.0/1,1,0/[a2112m-1b_1-5]/1/|beta-D-Fuc|beta-D-Fucose|beta-D-fucopyranose http://purl.obolibrary.org/obo/CHEBI_27442 3_STAR
CHEBI:27445 biolink:ChemicalSubstance maltohexaose A maltohexaose hexasaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form. CAS:34620-77-4|KEGG:C01936|KEGG:G00755 phenio.json Maltohexaose|alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glc|alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucose http://purl.obolibrary.org/obo/CHEBI_27445 3_STAR
CHEBI:27446 biolink:ChemicalSubstance phenoxymethylpenicillin A penicillin compound having a 6beta-(phenoxyacetyl)amino side-chain. CAS:87-08-1|DrugBank:DB00417|Drug_Central:2083|KEGG:C08126|KEGG:D05411|PDBeChem:PNV|PMID:10930630|PMID:12569987|PMID:13377278|PMID:14687482|PMID:16033609|PMID:19357666|PMID:19496253|PMID:21148688|PMID:22763423|PMID:23732051|PMID:26986755|PMID:27731424|PMID:8566082|Reaxys:96259|Wikipedia:Phenoxymethylpenicillin phenio.json (2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-(2-PHENOXYACETAMIDO)-4-THIA-1- AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID|(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|2,2-dimethyl-6beta-[(phenoxyacetyl)amino]penam-3alpha-carboxylic acid|3,3-dimethyl-6beta-[(phenoxyacetyl)amino]penam-2alpha-carboxylic acid (PIN)|6-phenoxyacetamidopenicillanic acid|Fenospen|Oracillin|PV|Penicillin V|V-Cillin|fenoximetilpenicilina|penicillin phenoxymethyl|phenoxomethylpenicillin|phenoxymethylenepenicillinic acid|phenoxymethylpenicillin|phenoxymethylpenicilline|phenoxymethylpenicillinum http://purl.obolibrary.org/obo/CHEBI_27446 3_STAR
CHEBI:27450 biolink:ChemicalSubstance 4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonic acid Beilstein:10297030|KEGG:C06118|KEGG:G10587|PDBeChem:UNF phenio.json 4-(4-Deoxy-alpha-D-galact-4-enuronosyl)-D-galacturonate|4-(4-Deoxy-alpha-D-gluc-4-enuronosyl)-D-galacturonate|4-(4-deoxy-alpha-D-galact-4-enosyluronic acid)-D-galacturonic acid|4-O-(4-deoxy-beta-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid|Unsaturated digalacturonate http://purl.obolibrary.org/obo/CHEBI_27450 3_STAR
CHEBI:27452 biolink:ChemicalSubstance styrene A vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species. CAS:100-42-5|Gmelin:2991|HMDB:HMDB0034240|KEGG:C07083|MetaCyc:CPD-1092|PMID:11934013|PMID:24320693|Reaxys:1071236|UM-BBD_compID:c0115|Wikipedia:Styrene phenio.json Phenylethylene|Styren|Styrene|Styrol|ethenylbenzene|phenylethene|styrene|vinylbenzene http://purl.obolibrary.org/obo/CHEBI_27452 3_STAR
CHEBI:27455 biolink:ChemicalSubstance trichloroacetate A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of trichloroacetic acid. CAS:14357-05-2|Gmelin:200855|MetaCyc:CPD-9675|Reaxys:3588433|UM-BBD_compID:c0016 phenio.json 2,2,2-trichloroacetate|trichloroacetate|trichloroacetate anion|trichloroacetate(1-)|trichloroacetic acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_27455 3_STAR
CHEBI:27458 biolink:ChemicalSubstance 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA A cholestanoyl-CoA formed by thioester linkage between 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid and coenzyme A. KEGG:C05450 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestanoyl-CoA|3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-coenzyme A|3alpha,7alpha,12alpha,24zeta-Tetrahydroxy-5beta-cholestanoyl-CoA http://purl.obolibrary.org/obo/CHEBI_27458 3_STAR
CHEBI:27459 biolink:ChemicalSubstance N-glycoloyl-D-glucosamine An N-glycoloylglucosamine of D configuration. KEGG:C03146 phenio.json 2-deoxy-2-glycoloylamino-D-glucopyranose|2-deoxy-2-glycoloylamino-D-glucose|N-Glycolyl-D-glucosamine http://purl.obolibrary.org/obo/CHEBI_27459 3_STAR
CHEBI:27466 biolink:ChemicalSubstance (S)-3-hydroxytetradecanoyl-CoA A long-chain (3S)-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxytetradecanoic acid. KEGG:C05260 phenio.json (S)-3-Hydroxytetradecanoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxytetradecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_27466 3_STAR
CHEBI:27468 biolink:ChemicalSubstance 5,6-dihydrothymine A pyrimidone obtained by formal addition of hydrogen across the 5,6-position of thymine. CAS:696-04-8|KEGG:C00906|PMID:12798197|PMID:20509700|PMID:2669952|Reaxys:81983 phenio.json 5,6-Dihydro-5-methyluracil|5,6-Dihydrothymine|5,6-dihydrothymine|5-Methyl-5,6-dihydrouracil|5-methyldihydropyrimidine-2,4(1H,3H)-dione|Dihydrothymine http://purl.obolibrary.org/obo/CHEBI_27468 3_STAR
CHEBI:27469 biolink:ChemicalSubstance 2-dehydro-D-gluconic acid A ketoaldonic acid that is D-gluconic acid in which the hydroxy group at position 2 has been oxidised to a keto group. CAS:669-90-9|KEGG:C06473|PMID:1106345|PMID:14325279|PMID:24572278|Reaxys:1726797 phenio.json 2-Dehydro-D-gluconate|2-Dehydro-D-gluconic acid|2-Keto-D-gluconic acid|2-Oxogluconic acid|2-ketogluconic acid|D-arabino-hex-2-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_27469 3_STAR
CHEBI:27470 biolink:ChemicalSubstance folic acid An N-acyl-amino acid that is a form of the water-soluble vitamin B9. Its biologically active forms (tetrahydrofolate and others) are essential for nucleotide biosynthesis and homocysteine remethylation. AGR:IND606960789|CAS:59-30-3|Chemspider:5815|DrugBank:DB00158|Drug_Central:1231|FooDB:FDB014504|HMDB:HMDB0000121|KEGG:C00504|KEGG:D00070|KNApSAcK:C00001539|LINCS:LSM-5355|MetaCyc:CPD-12826|PDBeChem:FOL|PMID:10138938|PMID:10897644|PMID:10958818|PMID:11261364|PMID:11451208|PMID:11959400|PMID:14387833|PMID:15321809|PMID:15523939|PMID:15754725|PMID:15797531|PMID:15797685|PMID:15831910|PMID:15990733|PMID:16093404|PMID:16277678|PMID:16380297|PMID:16871332|PMID:17784727|PMID:18788725|PMID:19121630|PMID:19335717|PMID:19355913|PMID:24650098|PMID:33624660|PMID:33965562|PMID:33968971|PMID:34207319|PMID:34219855|PMID:7738698|PMID:8235383|PMID:9040515|PMID:9420019|PMID:9565830|PMID:9683174|PMID:9781393|PMID:9808640|PMID:9808641|Reaxys:100781|Wikipedia:Folic_Acid phenio.json (2S)-2-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzamido)pentanedioic acid|Acfol|Folate|Folicet|Folsaeure|N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid|N-[(4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}phenyl)carbonyl]-L-glutamic acid|N-pteroyl-L-glutamic acid|PGA|PteGlu|acide folique|acido folico|acidum folicum|folic acid|pteroyl-L-glutamic acid|pteroyl-L-monoglutamic acid|pteroylglutamic acid|pteroylmonoglutamic acid|vitamin B11|vitamin B9|vitamin Bc|vitamin Be|vitamin M http://purl.obolibrary.org/obo/CHEBI_27470 3_STAR
CHEBI:27475 biolink:ChemicalSubstance cyanidin 3-O-beta-D-galactoside An anthocyanin cation that is cyanidin(1+) carrying a single beta-D-galactosyl substituent at position 3. KEGG:C08647|KNApSAcK:C00006652|PMID:19351112|PMID:21302942|PMID:22739086|PMID:23215441|Reaxys:3920159 phenio.json 3-(beta-D-galactopyranosyloxy)-3',4',5,7-tetrahydroxyflavylium|Cyanidin 3-O-galactoside http://purl.obolibrary.org/obo/CHEBI_27475 3_STAR
CHEBI:27477 biolink:ChemicalSubstance D-valine The D-enantiomer of valine. CAS:640-68-6|Gmelin:82413|KEGG:C06417|MetaCyc:CPD-3642|PDBeChem:DVA|PMID:13465080|PMID:23085840|PMID:236834|PMID:7118128|Reaxys:1721135 phenio.json (2R)-2-amino-3-methylbutanoic acid|(R)-2-Amino-3-methylbutyric acid|(R)-valine|D-Valin|D-Valine|D-valine|DVA http://purl.obolibrary.org/obo/CHEBI_27477 3_STAR
CHEBI:27479 biolink:ChemicalSubstance 2'-hydroxydaidzein A hydroxyisoflavone that is daidzein bearing an additional hydroxy substituent at position 2'. CAS:7678-85-5|HMDB:HMDB0029372|KEGG:C02495|KNApSAcK:C00009383|LIPID_MAPS_instance:LMPK12050083|MetaCyc:2-HYDROXYDAIDZEIN|PMID:15013012|PMID:2306102|PMID:9790908|Reaxys:1256280 phenio.json 2',4',7-trihydroxyisoflavone|2'-Hydroxydaidzein|3-(2,4-dihydroxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one|3-(2,4-dihydroxyphenyl)-7-hydroxy-4H-chromen-4-one|4H-1-benzopyran-4-one, 3-(2,4-dihydroxyphenyl)-7-hydroxy- http://purl.obolibrary.org/obo/CHEBI_27479 3_STAR
CHEBI:27480 biolink:ChemicalSubstance phenylacetylglycine A N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group. CAS:500-98-1|HMDB:HMDB0000821|KEGG:C05598|MetaCyc:CPD-11715|PMID:15764292|PMID:19961175|PMID:21167146|PMID:22770225|PMID:22935565|Reaxys:1107116 phenio.json N-(phenylacetyl)glycine|N-Phenacetylglycine|N-Phenylacetylglycine|Phenaceturic acid|Phenacetylglycine|Phenylacetylglycine http://purl.obolibrary.org/obo/CHEBI_27480 3_STAR
CHEBI:27482 biolink:ChemicalSubstance (R)-coclaurine Beilstein:1546873|CAS:2196-60-3|KEGG:C06349|KNApSAcK:C00025652|KNApSAcK:C00027647 phenio.json (+)-Coclaurine|(1R)-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol|(R)-1,2,3,4-Tetrahydro-1-[(4-hydroxyphenyl)methyl]-6-methoxy-7-isoquinolinol|(R)-Coclaurine|6-Methoxy-7-hydroxy-(1R)-[(4-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline|Machiline|d-Coclaurine http://purl.obolibrary.org/obo/CHEBI_27482 3_STAR
CHEBI:27485 biolink:ChemicalSubstance prostaglandin J2 A member of the class of prostaglandins J that consists of prosta-5,9,13-trien-1-oic acid substituted by an oxo group at position 11 and a hydroxy group at position 15 (the 5Z,13E,15S stereoisomer). CAS:60203-57-8|HMDB:HMDB0002710|KEGG:C05957|LIPID_MAPS_instance:LMFA03010019|PMID:12213491|Reaxys:8353080 phenio.json (5Z,13E,15S)-15-hydroxy-11-oxoprosta-5,9,13-trien-1-oic acid|9-Deoxy-delta-9-pgd2|9-Deoxy-delta-9-prostaglandin D2|PGJ2|Prostaglandin J2 http://purl.obolibrary.org/obo/CHEBI_27485 3_STAR
CHEBI:27493 biolink:ChemicalSubstance juvenile hormone III A member of the juvenile hormone family of compounds that is the methyl ester of (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid. Juvenile hormone III is found in most insect species. CAS:22963-93-5|KEGG:C09694|KNApSAcK:C00003157|LIPID_MAPS_instance:LMPR0103010004|MetaCyc:CPD-8838|PDBeChem:JH3|PMID:22664054|PMID:23034815|PMID:23121109|PMID:24657668|Reaxys:4453965 phenio.json (+)-Juvenile hormone III|(10R)-Juvenile hormone III|JH III|Juvenile hormone 3|Methyl (2E,6E)-(10R)-10,11-epoxy-3,7,11-trimethyl-2,6-dodecadienoate|Methyl (R-(E,E))-9-(3,3-dimethyloxiranyl)-3,7-dimethyl-2,6-nonadienoate|Methyl 10,11-epoxy-3,7,11-trimethyl-trans,trans-(10R)-2,6-dodecadienoate|Methyl 10,11-epoxy-3,7,11-trimethyl-trans,trans-2,6-dodecadienoate|Methyl R-(+)-10,11-epoxyfarnesate|juvenile hormone III|methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate http://purl.obolibrary.org/obo/CHEBI_27493 3_STAR
CHEBI:27503 biolink:ChemicalSubstance aldehydo-D-mannosamine A D-mannosamine in open-chain aldehydo-form. CAS:14307-02-9|CAS:2636-92-2|PMID:12596851|PMID:16076127|PMID:19309147|PMID:20096904|Reaxys:1724601 phenio.json 2-Amino-2-deoxy-D-mannose|2-amino-2-deoxy-D-mannose|2-amino-2-deoxymannose|D-(+)-Mannosamine|D-ManN|D-Mannosamine|Manosamine http://purl.obolibrary.org/obo/CHEBI_27503 3_STAR
CHEBI:27504 biolink:ChemicalSubstance mitomycin C Beilstein:3570056|CAS:50-07-7|DrugBank:DB00305|Drug_Central:1819|KEGG:C06681|KEGG:D00208|KNApSAcK:C00018668|LINCS:LSM-6310|PMID:36194168|PMID:36453313|PMID:36473690|Wikipedia:Mitomycin phenio.json 7-Amino-9alpha-methoxymitosane|Ametycine|MMC|Mitocin-C|Mitomycin|Mitomycin C|Mutamycin|[(1aS,8S,8aR,8bS)-6-amino-8a-methoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate http://purl.obolibrary.org/obo/CHEBI_27504 3_STAR
CHEBI:27505 biolink:ChemicalSubstance 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA A steroidal acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oic acid. KEGG:C05460 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_27505 3_STAR
CHEBI:27510 biolink:ChemicalSubstance umbelliferone A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7. Beilstein:127683|CAS:93-35-6|Gmelin:1220112|KEGG:C09315|KNApSAcK:C00002503|LINCS:LSM-3960 phenio.json 7-Hydroxycoumarin|7-hydroxy-2H-1-benzopyran-2-one|7-hydroxy-2H-chromen-2-one|Umbelliferone|beta-umbelliferone|hydrangin|skimmetin|umbelliferone http://purl.obolibrary.org/obo/CHEBI_27510 3_STAR
CHEBI:27513 biolink:ChemicalSubstance precorrin-6X The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which six methyl groups have been introduced into the tetrapyrrole framework, together with ring contraction. Beilstein:4901842|KEGG:C06320 phenio.json 3,3',3'',3'''-[(1R,2S,3S,7S,11S,17R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid|Precorrin 6A|Precorrin 6X http://purl.obolibrary.org/obo/CHEBI_27513 3_STAR
CHEBI:27514 biolink:ChemicalSubstance genistein 7-O-beta-D-glucoside CAS:529-59-9|KEGG:C09126|KNApSAcK:C00002528 phenio.json 4',5,7-trihydroxyisoflavone 7-D-glucoside|5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside|Genistein|Genistein 7-O-beta-D-glucoside|Genistein 7-glucoside|Genisteol 7-monoglucoside|Genistin|Genistine|Genistoside http://purl.obolibrary.org/obo/CHEBI_27514 3_STAR
CHEBI:27515 biolink:ChemicalSubstance alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-D-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer A sialotetraosylceramide consisting of a branched octasaccharide made up from four sialyl residues, two galactose residues, one N-acetylglucosamine residue and a glucose residue at the reducing end attached to the ceramide portion via a beta-linkage. KEGG:C06139|KEGG:G00117|LIPID_MAPS_instance:LMSP0601AV00|PMID:1371229|PMID:1514781|PMID:1567198|PMID:16341241|PMID:1724444|PMID:17855742|PMID:19726417|PMID:20478781|PMID:2303428|PMID:25748038|PMID:25867522|PMID:26050638|PMID:27485170|PMID:28416698|PMID:7534889|PMID:7693874 phenio.json (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|(Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)4 (Cer)1|GQ1|GQ1b|Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer|Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer|Neu5Acalpha2-8Neu5Acalpha2-3Galbeta1-3GalNAcbeta1-4(Neu5Acalpha2-8Neu5Acalpha2-3)Galbeta1-4Glcbeta1-1'Cer|Neu5Acalpha2->8Neu5Acalpha2->3Galbeta1->3GalNAcbeta1->4(Neu5Acalpha2->8Neu5Acalpha2->3)Galbeta1->4Glc-Cer|alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer|alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Galp-(1->3)-beta-GalpNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Galp-(1->4)-beta-Glcp-(1<->1')-Cer|ganglioside GQ1b|tetrasialoganglioside GQ1b http://purl.obolibrary.org/obo/CHEBI_27515 3_STAR
CHEBI:27517 biolink:ChemicalSubstance (1->2)-beta-D-glucan KEGG:C02490 phenio.json (1,2-beta-D-glucosyl)n|(1->2)-beta-D-glucopyranan|1,2-beta-D-Glucan http://purl.obolibrary.org/obo/CHEBI_27517 3_STAR
CHEBI:27518 biolink:ChemicalSubstance acetylene Beilstein:906677|CAS:74-86-2|Gmelin:210|KEGG:C01548|MolBase:936|UM-BBD_compID:c0526 phenio.json Acetylen|Acetylene|Azetylen|C2H2|CH#CH|Ethin|Ethyne|HC#CH|HCCH|Narcylen|[CH(CH)]|acetylene|ethyne|vinylene http://purl.obolibrary.org/obo/CHEBI_27518 3_STAR
CHEBI:27530 biolink:ChemicalSubstance 4-hydroxy-2-oxohexanoic acid A hydroxy- and oxo- fatty acid comprising hexanoic acid substituted at C-2 and C-4 with oxo and hydroxy groups respectively. KEGG:C06762|LIPID_MAPS_instance:LMFA01050343|Reaxys:2637006 phenio.json 2-Oxo-4-hydroxycapronsaeure|4-Hydroxy-2-oxohexanoate|4-Hydroxy-2-oxohexanoic acid|4-hydroxy-2-oxocaproic acid|4-hydroxy-2-oxohexanoic acid http://purl.obolibrary.org/obo/CHEBI_27530 3_STAR
CHEBI:27532 biolink:ChemicalSubstance L-cysteine thioether Any L-cysteine derivative obtained by conversion of the thiol group into a sulfide. phenio.json L-cysteine thioethers|cysteine thioether http://purl.obolibrary.org/obo/CHEBI_27532 3_STAR
CHEBI:27533 biolink:ChemicalSubstance beta-zeacarotene Beilstein:2571810|KEGG:C05434|KNApSAcK:C00022807|LIPID_MAPS_instance:LMPR01070259 phenio.json 7',8'-dihydro-beta,psi-carotene|beta-Zeacarotene|beta-zeacarotene http://purl.obolibrary.org/obo/CHEBI_27533 3_STAR
CHEBI:27535 biolink:ChemicalSubstance alpha-D-mannoside Any mannoside in which the anomeric centre has alpha-configuration. KEGG:C02603 phenio.json alpha-D-Mannoside|alpha-D-mannopyranoside|alpha-D-mannopyranosides|alpha-D-mannose derivative|alpha-D-mannosides http://purl.obolibrary.org/obo/CHEBI_27535 3_STAR
CHEBI:27537 biolink:ChemicalSubstance trans-oct-2-enoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-oct-2-enoic acid. HMDB:HMDB0003949|KEGG:C05276|LIPID_MAPS_instance:LMFA07050024|MetaCyc:CPD0-2108|PMID:16046200|Reaxys:11165742 phenio.json (2E)-Octenoyl-CoA|(2E)-octenoyl-coenzyme A|2,3-trans-octenoyl coenzyme A|2E-octenoyl-CoA|2E-octenoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-oct-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}|oct-2-trans-enoyl-CoA|oct-trans-2-enoyl-CoA|trans-2-octenoyl-coenzyme A|trans-Oct-2-enoyl-CoA|trans-oct-2-enoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_27537 3_STAR
CHEBI:27539 biolink:ChemicalSubstance isatin An indoledione that is the 2,3-diketo derivative of indole. CAS:91-56-5|DrugBank:DB02095|Gmelin:165206|KEGG:C11129|KNApSAcK:C00026981|MetaCyc:ISATIN|PDBeChem:ISN|PMID:15876476|PMID:16236622|PMID:1650428|PMID:17330218|PMID:17447419|PMID:19834914|PMID:23744416|PMID:26846278|PMID:9510091|Reaxys:383659|Wikipedia:Isatin phenio.json 1H-indole-2,3-dione|ISATIN|Isatin|indole-2,3-dione|isatin http://purl.obolibrary.org/obo/CHEBI_27539 3_STAR
CHEBI:27540 biolink:ChemicalSubstance hexanoyl-CoA A medium-chain fatty acyl-CoA having hexanoyl as the S-acyl group. CAS:5060-32-2|DrugBank:DB02563|HMDB:HMDB0002845|KEGG:C05270|PDBeChem:HXC|PMID:18215412|PMID:19391105|PMID:19501572|PMID:19581347|PMID:7370014|PMID:7988059|Reaxys:78347 phenio.json 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(hexanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)|Coenzyme A, S-hexanoate|Hexanoyl-CoA|Hexanoyl-coenzyme A|S-Hexanoyl-coenzym-A|S-hexanoyl-CoA|S-hexanoyl-coenzyme-A|caproyl-CoA|caproyl-coenzyme A|hexanoyl-CoA|n-hexanoyl-CoA|n-hexanoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_27540 3_STAR
CHEBI:27541 biolink:ChemicalSubstance 3',5'-cyclic IMP A 3',5'-cyclic purine nucleotide having hypoxanthine as the nucleobase. CAS:3545-76-4|KEGG:C00943|PMID:24605759|PMID:24906916|Reaxys:629329 phenio.json 3',5'-Cyclic IMP|Inosine 3',5'-cyclic monophosphate|cyclic IMP|inosine 3',5'-(hydrogen phosphate)|inosine cyclic 3',5'-(hydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_27541 3_STAR
CHEBI:27544 biolink:ChemicalSubstance 3,5-dibromo-4-hydroxybenzoate CAS:3337-62-0|UM-BBD_compID:c0509 phenio.json 3,5-dibromo-4-hydroxybenzoate http://purl.obolibrary.org/obo/CHEBI_27544 3_STAR
CHEBI:27545 biolink:ChemicalSubstance 2,5-dichlorohydroquinone A dichlorohydroquinone that is hydroquinone substituted by chloro groups at positions 2 and 5 respectively. CAS:824-69-1|KEGG:C06600|PMID:11872169|PMID:17578411|Reaxys:2045064 phenio.json 2,5-Dichloro-1,4-benzenediol|2,5-Dichloro-1,4-hydroquinone|2,5-Dichloro-p-benzohydroquinone|2,5-Dichloro-p-hydroquinone|2,5-dichlorobenzene-1,4-diol|2,5-dichlorohydroquinone http://purl.obolibrary.org/obo/CHEBI_27545 3_STAR
CHEBI:27547 biolink:ChemicalSubstance zeaxanthin Beilstein:2068416|CAS:144-68-3|KEGG:C06098|KNApSAcK:C00000931|LIPID_MAPS_instance:LMPR01070261|MetaCyc:CPD1F-130|Wikipedia:Zeaxanthin phenio.json (3R,3'R)-beta,beta-carotene-3,3'-diol|(3R,3'R)-dihydroxy-beta,beta-carotene|Zeaxanthin|all-trans-beta-carotene-3,3'-diol|all-trans-zeaxanthin|anchovyxanthin|beta,beta-carotene-3,3'-diol http://purl.obolibrary.org/obo/CHEBI_27547 3_STAR
CHEBI:27551 biolink:ChemicalSubstance 5-methylcytosine A pyrimidine that is a derivative of cytosine, having a methyl group at the 5-position. Beilstein:120387|CAS:554-01-8|KEGG:C02376|MetaCyc:CPD0-2018|PMID:17325422|PMID:22770225|PMID:25304211|PMID:25421665|PMID:25510268|PMID:25510270|PMID:25522353|PMID:25620416|PMID:25675106|Reaxys:508871|Wikipedia:5-Methylcytosine phenio.json 4-Amino-5-methyl-2-pyrimidinol|4-amino-5-methyl-2(1H)-pyrimidinone|4-amino-5-methylpyrimidin-2(1H)-one|5-Methylcytosine|5-methylcytosine http://purl.obolibrary.org/obo/CHEBI_27551 3_STAR
CHEBI:27552 biolink:ChemicalSubstance 4'-methoxy-5,7-dihydroxyflavanone A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 4' (the 2S stereoisomer). CAS:480-43-3|KEGG:C05334|KNApSAcK:C00000973|LIPID_MAPS_instance:LMPK12140355|PMID:17401997|PMID:17880032|PMID:21384439|PMID:21864313|Reaxys:91627|Wikipedia:Isosakuranetin phenio.json (2S)-5,7-dihydroxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one|(2S)-naringenin 4'-methyl ether|(S)-2,3-dihydro-5,7-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one|4'-Methylnaringenin|Isosakuranetin|naringenin 4'-methyl ether http://purl.obolibrary.org/obo/CHEBI_27552 3_STAR
CHEBI:27555 biolink:ChemicalSubstance prostaglandin C2 A member of the class of prostaglandins C that is prosta-5,11,13-trien-1-oic acid carrying oxo and hydroxy substituents at positions 9 and 15 respectively (the 5Z,13E,15S-stereoisomer). KEGG:C05955|LIPID_MAPS_instance:LMFA03010133 phenio.json (5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,11,13-trien-1-oic acid|PGC2|Prostaglandin C2 http://purl.obolibrary.org/obo/CHEBI_27555 3_STAR
CHEBI:2756 biolink:ChemicalSubstance anthracene-1,8,9-triol An anthracenetriol that is anthracene substituted by hydroxy groups at positions 1, 8 and 9. CAS:480-22-8|KEGG:C06831|PMID:25653027|Reaxys:1976792 phenio.json 1,8,9-anthratriol|1,8,9-trihydroxyanthracene|1,8-dihydroxy-9-anthranol|1,8-dihydroxyanthranol|Anthralin|anthracene-1,8,9-triol http://purl.obolibrary.org/obo/CHEBI_2756 3_STAR
CHEBI:27560 biolink:ChemicalSubstance boron atom CAS:7440-42-8|KEGG:C06266|WebElements:B phenio.json 5B|B|Bor|Boron|boracium|bore|boro|boron http://purl.obolibrary.org/obo/CHEBI_27560 3_STAR
CHEBI:27561 biolink:ChemicalSubstance oxirane A saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom. CAS:75-21-8|Gmelin:676|HMDB:HMDB0031305|KEGG:C06548|KEGG:D03474|PMID:11437638|PMID:24313866|PMID:24882394|PMID:25005741|PMID:3932500|Reaxys:102378|UM-BBD_compID:c0527|Wikipedia:Oxirane phenio.json 1,2-Epoxyaethan|1,2-epoxyethane|Aethylenoxid|Amprolene|Anprolene|Anproline|Dihydrooxirene|Dimethylene oxide|ETO|Ethylene oxide|Oxacyclopropane|Oxane|Oxidoethane|Oxyfume|epoxyethane|ethene oxide|oxirane|oxyde d'ethylene http://purl.obolibrary.org/obo/CHEBI_27561 3_STAR
CHEBI:27562 biolink:ChemicalSubstance 20-hydroxy-20-oxoleukotriene B4 A member of the class of leukotrienes that is leukotriene B4 in which the terminal methyl group has undergone formal oxidation to the corresponding carboxylic acid. CAS:80434-82-8|KEGG:C05950|LIPID_MAPS_instance:LMFA03020016 phenio.json (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenedioic acid|20-COOH-LTB4|20-COOH-Leukotriene B4|20-Carboxy-leukotriene B4|20-carboxy-LTB4|5,12-Dihydroxy-delta5,8,11,14-eicosapolyendioic acid http://purl.obolibrary.org/obo/CHEBI_27562 3_STAR
CHEBI:27563 biolink:ChemicalSubstance arsenic atom CAS:7440-38-2|KEGG:C06269|WebElements:As phenio.json 33As|Arsen|Arsenic|As|arsenic|arsenico|arsenicum http://purl.obolibrary.org/obo/CHEBI_27563 3_STAR
CHEBI:27565 biolink:ChemicalSubstance 4-aminosalicylic acid An aminobenzoic acid that is salicylic acid substituted by an amino group at position 4. CAS:65-49-6|DrugBank:DB00233|Drug_Central:2050|Gmelin:306153|HMDB:HMDB0014378|KEGG:C02518|KEGG:D00162|LINCS:LSM-5862|PDBeChem:BHA|PMID:11621575|PMID:1650428|PMID:23118010|PMID:24663015|PMID:25050392|PMID:25421465|PMID:25605031|PMID:25963985|PMID:26004847|PMID:26033719|PMID:26277036|PMID:26596566|PMID:26848874|PMID:27021327|PMID:27491492|PMID:27617928|PMID:27671064|PMID:28011126|PMID:28223391|PMID:28394286|PMID:28408267|PMID:28567674|PMID:28651968|PMID:28717039|PMID:28812999|Patent:DE50835|Patent:US2844625|Patent:US427564|Reaxys:473071|Wikipedia:Aminosalicylic_Acid phenio.json 2-HYDROXY-4-AMINOBENZOIC ACID|4-Aminosalicylate|4-Aminosalicylic acid|4-amino-2-hydroxybenzoic acid|Aminosalicylic acid|PAS|Para-amino salicylic acid|Paser|p-aminosalicylic acid http://purl.obolibrary.org/obo/CHEBI_27565 3_STAR
CHEBI:27566 biolink:ChemicalSubstance 6-prenylnaringenin A trihydroxyflavanone having a structure of naringenin prenylated at C-6. CAS:68236-13-5|KNApSAcK:C00000997|PMID:30031654|Reaxys:6233280 phenio.json (2S)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one|sophoraflavanone B http://purl.obolibrary.org/obo/CHEBI_27566 3_STAR
CHEBI:27568 biolink:ChemicalSubstance selenium atom CAS:7782-49-2|DrugBank:DB11135|FooDB:FDB013400|HMDB:HMDB0001349|KEGG:C01529|WebElements:Se|Wikipedia:Selenium phenio.json 34Se|Se|Selen|Selenium|selenio|selenium http://purl.obolibrary.org/obo/CHEBI_27568 3_STAR
CHEBI:27569 biolink:ChemicalSubstance arabinogalactan A polysaccharide composed of repeating units of arabinosylgalactose. CAS:9036-66-2|KEGG:C00569|PMID:12368438|PMID:15063212|PMID:15132700|PMID:16291675|PMID:8154046 phenio.json AG|Arabinogalactan|Arabinogalactoglycan|D-Galacto-L-arabinan|Galactoarabinan http://purl.obolibrary.org/obo/CHEBI_27569 3_STAR
CHEBI:27570 biolink:ChemicalSubstance histidine An alpha-amino acid that is propanoic acid bearing an amino substituent at position 2 and a 1H-imidazol-4-yl group at position 3. CAS:4998-57-6|Gmelin:3656|KEGG:C00768|KNApSAcK:C00001363|PMID:17190852|PMID:22264337|PMID:22770225|PMID:29286160|Reaxys:84087|Wikipedia:Histidine phenio.json 2-amino-3-(1H-imidazol-4-yl)propanoic acid|DL-Histidine|Histidin|Histidine|alpha-Amino-1H-imidazole-4-propionic acid|histidina|histidine http://purl.obolibrary.org/obo/CHEBI_27570 3_STAR
CHEBI:27573 biolink:ChemicalSubstance silicon atom CAS:7440-21-3|KEGG:C06263|WebElements:Si phenio.json 14Si|Si|Silicon|Silizium|silicio|silicium|silicon http://purl.obolibrary.org/obo/CHEBI_27573 3_STAR
CHEBI:27574 biolink:ChemicalSubstance N(2)-succinyl-L-ornithine KEGG:C03415|PDBeChem:SUO phenio.json (2S)-5-Amino-2-(3-carboxypropanoylamino)pentanoic acid|N(2)-(3-carboxypropanoyl)-L-ornithine|N2-Succinyl-L-ornithine http://purl.obolibrary.org/obo/CHEBI_27574 3_STAR
CHEBI:27577 biolink:ChemicalSubstance phosphoramidate ester A phosphoric ester (phosphate) that has an NR2 instead of an OH group. KEGG:C01976 phenio.json Phosphoamide|phosphoramidate esters http://purl.obolibrary.org/obo/CHEBI_27577 3_STAR
CHEBI:27584 biolink:ChemicalSubstance aldosterone A pregnane-based steroidal hormone produced by the outer-section (zona glomerulosa) of the adrenal cortex in the adrenal gland, and acts on the distal tubules and collecting ducts of the kidney to cause the conservation of sodium, secretion of potassium, increased water retention, and increased blood pressure. The overall effect of aldosterone is to increase reabsorption of ions and water in the kidney. CAS:52-39-1|DrugBank:DB04630|Drug_Central:111|HMDB:HMDB0000037|KEGG:C01780|LINCS:LSM-42770|LIPID_MAPS_instance:LMST02030026|PDBeChem:AS4|PMID:10438974|Reaxys:3224996|Wikipedia:Aldosterone phenio.json (+)-aldosterone|(11beta)-11,21-dihydroxy-3,20-dioxopregn-4-en-18-al|11beta,21-Dihydroxy-3,20-dioxo-4-pregnen-18-al|11beta,21-dihydroxy-3,20-dioxopregn-4-en-18-al|ALDOSTERONE|Aldosterone|aldosterone http://purl.obolibrary.org/obo/CHEBI_27584 3_STAR
CHEBI:27585 biolink:ChemicalSubstance selenomethionine A selenoamino acid that is the selenium analogue of methionine. CAS:1464-42-2|HMDB:HMDB0003966|MetaCyc:SELENOMETHIONINE|PMID:14969538|PMID:20740325|PMID:21259435|PMID:21286848|PMID:21366307|PMID:21524942|PMID:21603917|PMID:21766323|PMID:21870603|PMID:21877325|Reaxys:1758204|Wikipedia:Selenomethionine phenio.json (+-)-selenomethionine|2-amino-4-(methylseleno)butanoic acid|Butanoic acid, 2-amino-4-(methylseleno)-|Selenium methionine|Seleno-DL-methionine http://purl.obolibrary.org/obo/CHEBI_27585 3_STAR
CHEBI:27586 biolink:ChemicalSubstance beta-L-rhamnopyranose The beta-anomer of L-rhamnopyranose. GlyGen:G51535NO|GlyTouCan:G51535NO|KEGG:C02338|PDBeChem:RM4 phenio.json 6-deoxy-beta-L-mannopyranose|WURCS=2.0/1,1,0/[a2211m-1b_1-5]/1/|beta-6-Deoxy-L-mannose|beta-L-Mannomethylose|beta-L-Rhamnose|beta-L-rhamnopyranose|beta-L-rhamnose http://purl.obolibrary.org/obo/CHEBI_27586 3_STAR
CHEBI:27590 biolink:ChemicalSubstance 7-hydroxyflavanone 7-O-beta-D-glucoside A flavanone 7-O-beta-D-glucoside that consists of 7-hydroxyflavanone attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. KEGG:C04007|Reaxys:62375 phenio.json 4-oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside|Flavanone 7-O-beta-D-glucoside|Flavanone 7-O-glucoside|flavanone 7-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_27590 3_STAR
CHEBI:27592 biolink:ChemicalSubstance ectoine A carboxamidine heterocycle obtained by formal condensation of (2S)-2,4-diaminobutanoic acid with acetic acid. CAS:96702-03-3|KEGG:C06231|MetaCyc:ECTOINE|PDBeChem:4CS|Reaxys:7288977|Wikipedia:Ectoine phenio.json (+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid|(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid|Ectoine|L-Ectoine|L-ectoine http://purl.obolibrary.org/obo/CHEBI_27592 3_STAR
CHEBI:27594 biolink:ChemicalSubstance carbon atom CAS:7440-44-0|KEGG:C06265|WebElements:C phenio.json 6C|C|Carbon|Kohlenstoff|carbon|carbone|carbonium|carbono http://purl.obolibrary.org/obo/CHEBI_27594 3_STAR
CHEBI:27595 biolink:ChemicalSubstance 11-epi-prostaglandin F2alpha The prostaglandin F that is the 11-epimer of prostaglandin F2alpha. KEGG:C05959|LIPID_MAPS_instance:LMFA03010036 phenio.json (5Z,13E,15S)-9alpha,11beta,15-trihydroxyprosta-5,13-dien-1-oic acid|11-epi-PGF2a|11-epi-PGF2alpha|11-epi-Prostaglandin F2a|11-epi-Prostaglandin F2alpha|11beta-PGF2alpha|11beta-prostaglandin F2alpha http://purl.obolibrary.org/obo/CHEBI_27595 3_STAR
CHEBI:27596 biolink:ChemicalSubstance N(pros)-methyl-L-histidine A L-histidine derivative that is L-histidine substituted by a methyl group at position 3 on the imidazole ring. CAS:368-16-1|Gmelin:1568650|HMDB:HMDB0000479|KEGG:C01152|PDBeChem:MHS|PMID:22612948|PMID:24009031|PMID:24681531|Reaxys:83651 phenio.json (2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid|1-Methylhistidine|3-Methyl-L-histidine|3-Methylhistidine|3-methylhistidine|N(pai)-Methyl-L-histidine|N(pros)-methyl-L-histidine|N-pros-Methyl-L-histidine|Tau-methylhistidine http://purl.obolibrary.org/obo/CHEBI_27596 3_STAR
CHEBI:27601 biolink:ChemicalSubstance pteridine Beilstein:115341|CAS:91-18-9|Gmelin:364077|KEGG:C07581 phenio.json 1,3,5,8-tetraazanaphthalene|Pteridine|azinepurine|pteridine http://purl.obolibrary.org/obo/CHEBI_27601 3_STAR
CHEBI:27603 biolink:ChemicalSubstance 1(F)-alpha-D-galactosylraffinose A tetrasaccharide consisting of raffinose, to the furanose O-1 position of which is linked an alpha-D-galactosyl group. CAS:512-65-2|KEGG:C08242|KEGG:G01504|KNApSAcK:C00001139|PMID:16997290|PMID:18855444|PMID:20452631|PMID:24253101|Reaxys:74226 phenio.json 1(F)-alpha-D-galactosylraffinose|1F-alpha-D-Galactosylraffinose|1F-alpha-D-galactosylraffinose|Lychnose|alpha-D-galactopyranosyl-(1->1)-beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_27603 3_STAR
CHEBI:27605 biolink:ChemicalSubstance D-psicose The D-enantiomer of psicose. CAS:551-68-8|KEGG:C06468|MetaCyc:PSICOSE|PMID:18517216|PMID:22224918|Wikipedia:Psicose phenio.json D-Allulose|D-Altrulose|D-Pseudofructose|D-Psi|D-Psicose|D-allulose|D-erythro-Hexulose|D-psicose|D-ribo-2-Hexulose|D-ribo-2-Ketohexulose|D-ribo-hex-2-ulose http://purl.obolibrary.org/obo/CHEBI_27605 3_STAR
CHEBI:27607 biolink:ChemicalSubstance thymol A phenol that is a natural monoterpene derivative of cymene. BPDB:1889|CAS:89-83-8|DrugBank:DB02513|Drug_Central:4258|KEGG:C09908|KEGG:D01039|KNApSAcK:C00000155|LIPID_MAPS_instance:LMPR0102090029|PDBeChem:IPB|VSDB:1889 phenio.json 1-hydroxy-5-methyl-2-isopropylbenzene|2-isopropyl-5-methylphenol|3-p-cymenol|5-METHYL-2-(1-METHYLETHYL)PHENOL|5-methyl-2-(propan-2-yl)phenol|5-methyl-2-isopropylphenol|6-isopropyl-3-methylphenol|6-isopropyl-m-cresol|Thymol|thymol http://purl.obolibrary.org/obo/CHEBI_27607 3_STAR
CHEBI:2761 biolink:ChemicalSubstance dipotassium bis[mu-tartrato(4-)]diantimonate(2-) trihydrate A hydrate that is the trihydrate form of dipotassium bis[mu-tartrato(4-)]diantimonate(2-). CAS:28300-74-5|Gmelin:1332600|KEGG:C11340|KEGG:D02959 phenio.json Antimony potassium tartrate|Tartox|dipotassium bis{mu-[2-(hydroxy-1kappaO)-3-(hydroxy-2kappaO)butanedioato(4-)-1kappaO(4):2kappaO(4)]}diantimonate(2-)--water (1/3)|dipotassium bis{mu-[2-(hydroxy-1kappaO)-3-(hydroxy-2kappaO)succinato(4-)-1kappaO(4):2kappaO(4)]}diantimonate(2-) trihydrate|tartar emetic|tartrated antimony http://purl.obolibrary.org/obo/CHEBI_2761 3_STAR
CHEBI:27612 biolink:ChemicalSubstance hydantoin Beilstein:110598|CAS:461-72-3|Gmelin:101266|KEGG:C05146|PDBeChem:HYN phenio.json 2,4(3H,5H)-imidazoledione|2,4-imidazolidinedione|Glycolylurea|Hydantoin|imidazole-2,4(3H,5H)-dione|imidazolidine-2,4-dione http://purl.obolibrary.org/obo/CHEBI_27612 3_STAR
CHEBI:27613 biolink:ChemicalSubstance amygdalin phenio.json [(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy](phenyl)acetonitrile|amygdaloside|mandelonitrile-beta-gentiobioside http://purl.obolibrary.org/obo/CHEBI_27613 3_STAR
CHEBI:27616 biolink:ChemicalSubstance psoralen The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifolia. CAS:66-97-7|KEGG:C09305|KEGG:D08450|KNApSAcK:C00000297|PMID:20196083|PMID:21468912|Reaxys:152784|Wikipedia:Psoralen phenio.json 3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone|6,7-furanocoumarin|6-hydroxy-5-benzofuranacrylic acid delta-lactone|7H-furo[3,2-g][1]benzopyran-7-one|7H-furo[3,2-g]chromen-7-one|Ficusin|Manaderm|Psoralen|furo[2',3':7,6]coumarin|furo[4',5':6,7]coumarin|furocoumarin|psoralen|psoralene http://purl.obolibrary.org/obo/CHEBI_27616 3_STAR
CHEBI:27617 biolink:ChemicalSubstance monensin A A spiroketal, monensin A is the major component of monensin, a mixture of antibiotic substances produced by Streptomyces cinnamonensis. An antiprotozoal, it is used as the sodium salt as a feed additive for the prevention of coccidiosis in poultry and as a growth promoter in cattle. CAS:17090-79-8|KEGG:C06693|KEGG:D08228|LINCS:LSM-5659|PMID:21215424|Reaxys:1633130 phenio.json (2S,3R,4S)-4-[(2S,5R,7S,8R,9S)-2-{(2S,2'R,3'S,5R,5'R)-2-ethyl-5'-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyltetrahydro-2H-pyran-2-yl]-3'-methyloctahydro-2,2'-bifuran-5-yl}-9-hydroxy-2,8-dimethyl-1,6-dioxaspiro[4.5]dec-7-yl]-3-methoxy-2-methylpentanoic acid|Monensin|Monensin A|monensic acid|monensin|monensina|monensinum http://purl.obolibrary.org/obo/CHEBI_27617 3_STAR
CHEBI:27618 biolink:ChemicalSubstance chalcone A member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. CAS:94-41-7|Gmelin:29124|KEGG:C01484|PMID:24510324|Reaxys:509985|Wikipedia:Chalcone phenio.json 1,3-Diphenyl-2-propen-1-one|1,3-diphenylprop-2-en-1-one|Benzylideneacetophenone|Chalcone|Chalkon|alpha-benzylideneacetophenone|beta-benzoylstyrene|beta-phenylacrylophenone|styryl phenyl ketone http://purl.obolibrary.org/obo/CHEBI_27618 3_STAR
CHEBI:2762 biolink:ChemicalSubstance antimycin A A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison. Beilstein:72665|CAS:1397-94-0|CAS:642-15-9|KEGG:C11339|MetaCyc:CPD-5744|PDBeChem:AY1|PMID:16819166|PMID:29790043|PMID:30914247|PMID:31079230|PMID:32662599 phenio.json (2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate|Antimycin A1|Antipiricullin|Fintrol|Virosin|antimycin A1b http://purl.obolibrary.org/obo/CHEBI_2762 3_STAR
CHEBI:27622 biolink:ChemicalSubstance vanillylmandelate A hydroxy monocarboxylic acid anion that is the conjugate base of vanillylmandelic acid. KEGG:C05584 phenio.json 2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetate|3-Methoxy-4-hydroxymandelate|vanilmandelate http://purl.obolibrary.org/obo/CHEBI_27622 3_STAR
CHEBI:27625 biolink:ChemicalSubstance alpha-D-glucosamine 1-phosphate Beilstein:22947|CAS:2152-75-2|DrugBank:DB03111|KEGG:C06156|KNApSAcK:C00019579|PDBeChem:GP1 phenio.json 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose|2-amino-2-deoxy-alpha-D-glucopyranose 1-(dihydrogen phosphate)|D-Glucosamine 1-phosphate|GLUCOSAMINE 1-PHOSPHATE|alpha-D-Glucosamine 1-phosphate http://purl.obolibrary.org/obo/CHEBI_27625 3_STAR
CHEBI:27628 biolink:ChemicalSubstance 4-isopropylbenzyl alcohol A member of the class of benzyl alcohols in which the hydrogen at position 4 on the phenyl ring of benzyl alcohol has been replaced by an isopropyl group. AGR:IND44465554|CAS:536-60-7|HMDB:HMDB0031817|KEGG:C06576|KNApSAcK:C00032864|MetaCyc:CPD-1002|PMID:11341314|PMID:19480554|PMID:19655769|PMID:20628994|PMID:21035544|PMID:21126829|PMID:21337949|PMID:21942283|PMID:22033086|PMID:23025190|PMID:23157017|PMID:23507295|PMID:25204729|PMID:25261521|PMID:27530691|PMID:27865956|Reaxys:636665|UM-BBD_compID:c0376 phenio.json (4-isopropylphenyl)methanol|(4-propan-2-ylphenyl)methanol|4-(1-Methylethyl)benzenemethanol|4-isopropylbenzyl alcohol|Cumic alcohol|Cumin alcohol|Cuminic alcohol|Cuminol|Cuminyl alcohol|Cumyl alcohol|P-Mentha-1,3,5-trien-7-ol|[4-(propan-2-yl)phenyl]methanol|p-Cumic alcohol|p-Cumin-7-ol|p-Cymen-7-ol|p-Isopropylbenzyl alcohol|para-Cymen-7-ol http://purl.obolibrary.org/obo/CHEBI_27628 3_STAR
CHEBI:27630 biolink:ChemicalSubstance precorrin-5 The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which five methyl groups have been introduced into the tetrapyrrole framework, together with ring contraction. KEGG:C06416 phenio.json 3,3',3'',3'''-[(2S,3S,7S,11S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,11,17-tetramethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid|Precorrin 5 http://purl.obolibrary.org/obo/CHEBI_27630 3_STAR
CHEBI:27632 biolink:ChemicalSubstance acetophenone A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group. CAS:98-86-2|DrugBank:DB04619|HMDB:HMDB0033910|KEGG:C07113|KNApSAcK:C00002685|PMID:10397882|PMID:24634568|UM-BBD_compID:c0117|Wikipedia:Acetophenone phenio.json 1-Phenylethanone|1-phenylethan-1-one|1-phenylethanone|Acetophenone|Acetylbenzene|Methyl phenyl ketone|Phenyl methyl ketone|acetophenone|benzoyl methide http://purl.obolibrary.org/obo/CHEBI_27632 3_STAR
CHEBI:27633 biolink:ChemicalSubstance 2,6-dichlorohydroquinone A dichlorohydroquinone that is hydroquinone substituted by chloro groups at positions 2 and 6. CAS:20103-10-0|KEGG:C07097|KNApSAcK:C00007487|MetaCyc:26-DICHLORO-P-HYDROQUINONE|PMID:10526172|PMID:11476256|PMID:11731089|PMID:20307900|PMID:21870805|PMID:22043174|Reaxys:1945373|UM-BBD_compID:c0331 phenio.json 2,6-dichloro-1,4-benzenediol|2,6-dichloro-4-hydroquinone|2,6-dichlorobenzene-1,4-diol http://purl.obolibrary.org/obo/CHEBI_27633 3_STAR
CHEBI:27638 biolink:ChemicalSubstance cobalt atom A cobalt group element atom that has atomic number 27. CAS:7440-48-4|KEGG:C00175|KEGG:C19171|PDBeChem:3CO|WebElements:Co phenio.json 27Co|Co|Cobalt|Kobalt|cobalt|cobalto|cobaltum http://purl.obolibrary.org/obo/CHEBI_27638 3_STAR
CHEBI:27639 biolink:ChemicalSubstance (E)-2-benzylidenesuccinyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-2-benzylidenesuccinic acid. KEGG:C09818|UM-BBD_compID:c0342 phenio.json (E)-2-Benzylidenesuccinyl-CoA|(E)-2-benzylidenesuccinyl-coenzyme A|(trans)-2-benzylidenesuccinyl-CoA|(trans)-2-benzylidenesuccinyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-2-(carboxymethyl)-3-phenylprop-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|E-Phenylitaconyl-CoA http://purl.obolibrary.org/obo/CHEBI_27639 3_STAR
CHEBI:27641 biolink:ChemicalSubstance cycloheximide A dicarboximide that is 4-(2-hydroxyethyl)piperidine-2,6-dione in which one of the hydrogens attached to the carbon bearing the hydroxy group is replaced by a 3,5-dimethyl-2-oxocyclohexyl group. It is an antibiotic produced by the bacterium Streptomyces griseus. CAS:66-81-9|KEGG:C06685|KEGG:D03625|KNApSAcK:C00047211|LINCS:LSM-2791|PDBeChem:3HE|PMID:11972861|PMID:16659174|PMID:25209664|PMID:26715760|PMID:27192630|PMID:27665925|PMID:30154175|PMID:30916348|PMID:32299921|PMID:33101237|PPDB:1680|Reaxys:88868|Wikipedia:Cycloheximide phenio.json 3-((R)-2-((1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl)-2-hydroxyethyl)glutarimide|4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione|Cycloheximid|Cycloheximide|Zykloheximid|cicloheximida|cicloheximide|cicloheximidum|cycloheximide|naramycin|naramycin A http://purl.obolibrary.org/obo/CHEBI_27641 3_STAR
CHEBI:27642 biolink:ChemicalSubstance methyl tert-butyl ether An ether having methyl and tert-butyl as the two alkyl components. CAS:1634-04-4|Gmelin:773738|KEGG:C11344|PMID:19201538|PMID:21044818|PMID:21072404|PMID:21112690|PMID:21130999|PMID:21131048|PMID:21227585|PMID:21315889|PMID:21330701|PMID:21482276|PMID:21644118|PMID:21684239|PMID:21780613|PMID:21782339|PMID:9472332|Reaxys:1730942|Wikipedia:MTBE phenio.json 2-Methoxy-2-methylpropane|2-Methyl-2-methoxypropane|MTBE|Methyl 1,1-dimethylethyl ether|Methyl t-butyl ether|Methyl tert-butyl ether|Methyl tertiary-butyl ether|t-Butyl methyl ether|tert-Butyl methyl ether|tert-C4H9OCH3|tert-butyl methyl ether http://purl.obolibrary.org/obo/CHEBI_27642 3_STAR
CHEBI:27644 biolink:ChemicalSubstance chlortetracycline A member of the class of tetracyclines with formula C22H23ClN2O8 isolated from Streptomyces aureofaciens. CAS:57-62-5|Drug_Central:624|HMDB:HMDB0014401|KEGG:C06571|KEGG:D07689|LIPID_MAPS_instance:LMPK07000004|PDBeChem:CTC|PMID:23530364|PMID:24845506|PMID:25131164|PMID:25602656|PMID:7150561|PMID:7390959|PMID:7988792|Patent:US2482055 phenio.json (4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide|7-Chlorotetracycline|Aueromycin|chlortetracycline|chlortetracyclinum|clortetraciclina http://purl.obolibrary.org/obo/CHEBI_27644 3_STAR
CHEBI:27647 biolink:ChemicalSubstance prostaglandin G2 CAS:51982-36-6|DrugBank:DB03866|KEGG:C05956|LIPID_MAPS_instance:LMFA03010009 phenio.json (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroperoxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid|(5Z,9S,11R,13E,15S)-15-hydroperoxy-9,11-epidioxyprosta-5,13-dien-1-oic acid|PGG2|Prostaglandin G2 http://purl.obolibrary.org/obo/CHEBI_27647 3_STAR
CHEBI:27648 biolink:ChemicalSubstance 3-oxohexanoyl-CoA An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxohexanoic acid. CAS:19774-86-8|HMDB:HMDB0003943|KEGG:C05269|PMID:1550553|PMID:344310 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxohexanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3-Ketohexanoyl-CoA|3-Ketohexanoyl-coenzyme A|3-Oxohexanoyl-CoA|3-oxohexanoyl-coenzyme A|Coenzyme A, S-(3-oxohexanoate)|adenosine 3'-phosphoric acid 5'-[diphosphoric acid P(2)-[2,2-dimethyl-3-hydroxy-3-[[2-[[2-(3-oxohexanoylthio)ethyl]aminocarbonyl]ethyl]aminocarbonyl]propyl]] ester http://purl.obolibrary.org/obo/CHEBI_27648 3_STAR
CHEBI:27656 biolink:ChemicalSubstance camptothecin A pyranoindolizinoquinoline that is pyrano[3',4':6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group at position 4 (the S enantiomer). CAS:7689-03-4|DrugBank:DB04690|KEGG:C01897|KNApSAcK:C00002145|LINCS:LSM-4611|PDBeChem:EHD|PMID:11024478|PMID:11549373|PMID:23344961|PMID:23474217|PMID:23676007|PMID:8965250|Reaxys:6075662|Wikipedia:Camptothecin phenio.json (+)-camptothecin|(+)-camptothecine|(4S)-4-ethyl-4-hydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione|(S)-(+)-camptothecin|20(S)-camptothecine|21,22-Secocamptothecin-21-oic acid lactone|CPT|Camptothecin|Camptothecine|D-camptothecin http://purl.obolibrary.org/obo/CHEBI_27656 3_STAR
CHEBI:27657 biolink:ChemicalSubstance N-succinyl-L-glutamic 5-semialdehyde A dicarboxylic acid monoamide obtained by the formal condensation of amino group of L-glutamic 5-semialdehyde with one of the carboxy groups of succinic acid. KEGG:C05932 phenio.json (2S)-2-(3-Carboxypropanoylamino)-5-oxopentanoic acid|(2S)-2-[(3-carboxypropanoyl)amino]-5-oxopentanoic acid|N-(3-carboxypropanoyl)-5-oxo-L-norvaline|N-Succinyl-L-glutamate 5-semialdehyde http://purl.obolibrary.org/obo/CHEBI_27657 3_STAR
CHEBI:27659 biolink:ChemicalSubstance 2-oxo aldehyde Any aldehyde having an oxo substituent at the 2-position. KEGG:C00538 phenio.json 2-Oxoaldehyde|2-oxo aldehydes|2-oxoaldehyde http://purl.obolibrary.org/obo/CHEBI_27659 3_STAR
CHEBI:2766 biolink:ChemicalSubstance aphidicolin A tetracyclic diterpenoid that has an tetradecahydro-8,11a-methanocyclohepta[a]naphthalene skeleton with two hydroxymethyl substituents at positions 4 and 9, two methyl substituents at positions 4 and 11b and two hydroxy substituents at positions 3 and 9. An antibiotic with antiviral and antimitotical properties. Aphidicolin is a reversible inhibitor of eukaryotic nuclear DNA replication. Beilstein:4689958|CAS:38966-21-1|Chemspider:10280269|KEGG:C06088|KNApSAcK:C00000873|LINCS:LSM-45486|MetaCyc:CPD-11426|PDBeChem:2ZE|PMID:10592317|PMID:1483268|PMID:19735659|PMID:21212237|PMID:21444690|PMID:21708134|PMID:21812410|PMID:21897020|PMID:21917855|PMID:22139884|PMID:22210918|PMID:22262459|PMID:22293751|PMID:22302683|PMID:22339690|PMID:22365495|PMID:23221037|PMID:24492257|PMID:25429975|PMID:25948499|PMID:26255574|PMID:26854444|PMID:27223263|PMID:27265376|PMID:29191129|PMID:31403790|PMID:31448675|PMID:31712575|PMID:32394671|PMID:33592314|PMID:33721476|PMID:7478586|Patent:US3761512|Reaxys:2055641|Wikipedia:Aphidicolin phenio.json (3R,4R,4aR,6aS,8R,9R,11aS,11bS)-4,9-bis(hydroxymethyl)-4,11b-dimethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalene-3,9-diol|(3alpha,4alpha,5alpha,17alpha)-3,17-dihydroxy-4-methyl-9,15-cyclo-C,18-dinor-14,15-secoandrostane-4,17-dimethanol|Aphidicolin|aphidocolin http://purl.obolibrary.org/obo/CHEBI_2766 3_STAR
CHEBI:27660 biolink:ChemicalSubstance pyrrole-2-carboxylate Beilstein:3663073|Gmelin:1006285 phenio.json 1H-pyrrole-2-carboxylate|pyrrole-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_27660 3_STAR
CHEBI:27662 biolink:ChemicalSubstance benzquinamide Beilstein:502385|CAS:63-12-7|DrugBank:DB00767|Drug_Central:331|KEGG:D00243|Wikipedia:Benzquinamide phenio.json 2-(acetoxy)-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizine-3-carboxamide|2-(acetyloxy)-N,N-diethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizine-3-carboxamide|3-(diethylcarbamoyl)-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-yl acetate|BZQ|Benzchinamid|Emete-Con|benzochinamide|benzquinamida|benzquinamide|benzquinamidum http://purl.obolibrary.org/obo/CHEBI_27662 3_STAR
CHEBI:27666 biolink:ChemicalSubstance actinomycin D Beilstein:4173766|CAS:50-76-0|DrugBank:DB00970|Drug_Central:774|KEGG:C06770|KEGG:D00214|LINCS:LSM-5783|Wikipedia:Dactinomycin phenio.json 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis-[(18aS)-10c,14,17-trimethyl-5,8,12,15,18-pentaoxo-6c,13t-di(propan-2-yl)-18ar-hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-9c-yl]-3H-phenoxazine-1,9-dicarboxamide|2-amino-N,N'-bis(hexadecahydro-2,5,9-trimethyl-6,13-bis(1-methylethyl)-1,4,7,11,14-pentaoxo-1H-pyrrolo(2,1-i)(1,4,7,10,13)oxatetra-azacyclohexadecin-10-yl)-4,6-dimethyl-3-oxo-3H-phenoxazine-1,9-dicarboxamide|ActD|Actinomycin D|Dactinomycin|actinomycin C1|actinomycin IV http://purl.obolibrary.org/obo/CHEBI_27666 3_STAR
CHEBI:27667 biolink:ChemicalSubstance beta-D-galactose A D-galactopyranose having beta configuration at the anomeric centre. CAS:7296-64-2|FooDB:FDB021788|GlyGen:G65889KE|GlyTouCan:G65889KE|Gmelin:648639|HMDB:HMDB0003449|KEGG:C00962|MetaCyc:GALACTOSE|PDBeChem:GAL|PMID:17991151|PMID:18619283|PMID:19443021|PMID:25568069|PMID:31537530|Reaxys:1680744 phenio.json BETA-D-GALACTOSE|Gal-beta|WURCS=2.0/1,1,0/[a2112h-1b_1-5]/1/|beta-D-Gal|beta-D-Galactose|beta-D-galactopyranose|beta-D-galactose http://purl.obolibrary.org/obo/CHEBI_27667 3_STAR
CHEBI:27668 biolink:ChemicalSubstance (S)-3-hydroxylauroyl-CoA A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxydodecanoic acid. HMDB:HMDB0003936|KEGG:C05262|LIPID_MAPS_instance:LMFA07050012 phenio.json (S)-3-Hydroxydodecanoyl-CoA|(S)-3-hydroxydodecanoyl-coenzyme A|(S)-3-hydroxylauroyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_27668 3_STAR
CHEBI:27669 biolink:ChemicalSubstance neoastilbin A flavanone glycoside that is (-)-taxifolin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. CAS:29838-67-3|CAS:54081-47-9|KEGG:C09803|KEGG:C17449|KNApSAcK:C00008703|Reaxys:100565 phenio.json (2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside|(2S,3S)-Taxifolin 3-rhamnoside|(2S,3S)-dihydroquercetin 3-O-alpha-L-rhamnoside|Neoastilbin http://purl.obolibrary.org/obo/CHEBI_27669 3_STAR
CHEBI:27673 biolink:ChemicalSubstance herbacetin A pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities. CAS:527-95-7|KEGG:C02806|KNApSAcK:C00001048|LIPID_MAPS_instance:LMPK12113149|MetaCyc:CPD-14867|PMID:23063593|PMID:24081687|PMID:26297979|PMID:26676750|PMID:26923730|PMID:29029040|PMID:29653099|PMID:30899386|PMID:31075281|PMID:31356124|PMID:31436895|PMID:31724441|PMID:32746637|Wikipedia:Herbacetin phenio.json 3,4',5,7,8-pentahydroxyflavone|3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|3,5,7,8-tetrahydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|8-hydroxykaempferol|herbacetin http://purl.obolibrary.org/obo/CHEBI_27673 3_STAR
CHEBI:27680 biolink:ChemicalSubstance galactomannan A heteroglycan consisting of a mannan backbone with galactose side groups. PMID:1375195|PMID:2426444 phenio.json http://purl.obolibrary.org/obo/CHEBI_27680 3_STAR
CHEBI:27682 biolink:ChemicalSubstance 3',5'-cyclic dGMP phenio.json http://purl.obolibrary.org/obo/CHEBI_27682 1_STAR
CHEBI:27684 biolink:ChemicalSubstance phenylmercury acetate Beilstein:3662930|CAS:62-38-4|Gmelin:83357|KEGG:C11151|KEGG:D05464|PPDB:2142|UM-BBD_compID:c0093 phenio.json Phenylmercury acetate|acetato(phenyl)mercury|phenyl mercuric acetate|phenylmercuric acetate|phenylmercury(II) acetate http://purl.obolibrary.org/obo/CHEBI_27684 3_STAR
CHEBI:27689 biolink:ChemicalSubstance decanoate A fatty acid anion 10:0 that is the conjugate base of decanoic acid. Gmelin:330643|KEGG:C01571|MetaCyc:CPD-3617|Reaxys:3538146 phenio.json 1-nonanecarboxylate|CH3-[CH2]8-COO(-)|caprate|caprinate|caprynate|decanoate|decanoic acid anion|decoate|decylate|n-caprate|n-decanoate|n-decoate|n-decylate|nC9H19CO2 anion http://purl.obolibrary.org/obo/CHEBI_27689 3_STAR
CHEBI:2769 biolink:ChemicalSubstance apigenin 7,4'-dimethyl ether A dimethoxyflavone that is the 7,4'-dimethyl ether derivative of apigenin. CAS:5128-44-9|KEGG:C10019|KNApSAcK:C00001016|LIPID_MAPS_instance:LMPK12111029|PMID:16323541|Reaxys:295742 phenio.json 4',7-dimethylapigenin|4,7-dimethoxy-5-hydroxyflavone|5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one|Apigenin dimethylether|apigenin 4',7-dimethyl ether|genkwanin 4'-methyl ether http://purl.obolibrary.org/obo/CHEBI_2769 3_STAR
CHEBI:27690 biolink:ChemicalSubstance acetazolamide Beilstein:212994|CAS:59-66-5|DrugBank:DB00819|Drug_Central:56|Gmelin:365421|KEGG:C06805|KEGG:D00218|LINCS:LSM-5543|PDBeChem:AZM|Patent:US2554816|Wikipedia:Acetazolamide phenio.json 2-acetylamino-1,3,4-thiadiazole-5-sulfonamide|5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE|5-acetylamino-1,3,4-thiadiazole-2-sulfonamide|Acetazolamide|Defiltran|Diacarb|Diamox|Diluran|Glaupax|N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide|N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]acetamide|N-[5-(aminosulfonyl)-1,3,5-thiadiazol-2-yl]acetamide|acetazolamida|acetazolamide|acetazolamidum http://purl.obolibrary.org/obo/CHEBI_27690 3_STAR
CHEBI:27691 biolink:ChemicalSubstance alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->3)-beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer A sialotetraosylceramide consisting of a branched heptasaccharide made up from three sialyl residues, two galactose residues, one N-acetylglucosamine residue and a glucose residue at the reducing end attached to the ceramide portion via a beta-linkage. KEGG:C06138|KEGG:G00112|LIPID_MAPS_instance:LMSP0601AW00|PMID:1371229|PMID:1567198|PMID:17130419|PMID:1724444|PMID:25748038|PMID:25867522|PMID:26050638|PMID:27485170 phenio.json (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|(Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)3 (Cer)1|GT1a|Ganglioside GT1a|Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer|Neu5Ac-alpha2->8Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->3)LacCer|Neu5Acalpha2-8Neu5Acalpha2-3Galbeta1-3GalNAcbeta1-4(Neu5Acalpha2-3)Galbeta1-4Glcbeta1-1'Cer|Neu5Acalpha2->8Neu5Acalpha2->3Galbeta1->3GalNAcbeta1->4(Neu5Acalpha2->3)Galbeta1->4Glc-Cer|alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Galp-(1->3)-beta-GalpNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-Galp-(1->4)-beta-Glcp-(1<->1')-Cer http://purl.obolibrary.org/obo/CHEBI_27691 3_STAR
CHEBI:27692 biolink:ChemicalSubstance lipid II An undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl peptide in which the peptide element is L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine. Beilstein:9039417|KEGG:C05893|KEGG:G10553|PMID:11716719|PMID:16531990 phenio.json GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol|N-[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2-({hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine|Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine|undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine http://purl.obolibrary.org/obo/CHEBI_27692 3_STAR
CHEBI:27693 biolink:ChemicalSubstance sitosterol A member of the class of phytosterols that is stigmast-5-ene substituted by a beta-hydroxy group at position 3. Beilstein:1916156|CAS:83-46-5|Drug_Central:2451|KEGG:C01753|KEGG:D08518|KNApSAcK:C00003672|KNApSAcK:C00023770|LIPID_MAPS_instance:LMST01040129|PMID:20525330|PMID:23199991|PMID:23215694|PMID:23250922|PMID:23266618|PMID:23516045|PMID:23624268 phenio.json (-)-beta-Sitosterol|(24R)-Ethylcholest-5-en-3beta-ol|(24R)-Stigmast-5-en-3beta-ol|(3beta)-Stigmast-5-en-3-ol|22,23-Dihydrostigmasterol|24alpha-Ethylcholesterol|Azuprostat|Cupreol|Nimbosterol|Sitosterol|Triastonal|alpha-Dihydrofucosterol|beta-Sitosterin|beta-Sitosterol|sitosterol|stigmast-5-en-3beta-ol http://purl.obolibrary.org/obo/CHEBI_27693 3_STAR
CHEBI:27698 biolink:ChemicalSubstance vanadium atom CAS:7440-62-2|KEGG:C06267|WebElements:V phenio.json 23V|V|Vanadium|vanadio|vanadium http://purl.obolibrary.org/obo/CHEBI_27698 3_STAR
CHEBI:27700 biolink:ChemicalSubstance trans-3-enoyl-CoA A 3-enoyl-CoA in which the beta C=C double bond has trans stereochemistry. KEGG:C05067 phenio.json trans-3-Enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_27700 3_STAR
CHEBI:27701 biolink:ChemicalSubstance oxytetracycline A tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escherichia coli, Haemophilus influenzae (respiratory infections), and Diplococcus pneumoniae. BPDB:503|Beilstein:2686362|CAS:79-57-2|DrugBank:DB00595|Drug_Central:2041|Gmelin:623487|HMDB:HMDB0014733|KEGG:C06624|KNApSAcK:C00017127|LIPID_MAPS_instance:LMPK07000005|PMID:1650428|PMID:17386724|PMID:17638695|PMID:17870541|PMID:1833366|PMID:21136283|PMID:21488905|PMID:22013404|PMID:24247133|PMID:24281679|PMID:24290103|PMID:24362004|PMID:24510709|PMID:24607684|PMID:24853528|PMID:24983832|PMID:25019386|PMID:25035320|PMID:25081007|Pesticides:oxytetracycline|Reaxys:2714587|VSDB:503|Wikipedia:Oxytetracycline phenio.json (4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide|5-Hydroxytetracycline|Oxyterracin|Oxyterracine|Oxytetracyclin|Oxytetracycline (anhydrous)|Oxytetracycline amphoteric|oxitetraciclina|oxytetracyclinum http://purl.obolibrary.org/obo/CHEBI_27701 3_STAR
CHEBI:27705 biolink:ChemicalSubstance delta-carotene Beilstein:1896231|CAS:472-92-4|KEGG:C08586|KNApSAcK:C00003766 phenio.json delta-carotene|epsilon,psi-carotene http://purl.obolibrary.org/obo/CHEBI_27705 3_STAR
CHEBI:27707 biolink:ChemicalSubstance beta-D-Galp-(1->3)-D-GlcpNAc An amino disaccharide consisting of beta-D-galactose linked via a (1->3)-glycosidic bond to N-acetyl-D-glucosamine. Beilstein:1356092|GlyGen:G04616ST|GlyTouCan:G04616ST|KEGG:C06372|KEGG:G00284|PMID:10328550|PMID:1373551|PMID:17690443|PMID:18723650|PMID:19124470|PMID:1933953|PMID:19420691|PMID:19850285|PMID:19854932|PMID:19913595|PMID:20830443|PMID:21154671|PMID:2432147|PMID:2457603|PMID:2458640|PMID:2470785|PMID:24942885|PMID:26477523|PMID:4112563|PMID:7696864|Patent:US2010120096|Reaxys:1356092 phenio.json 2-acetamido-2-deoxy-3-O-beta-D-galactopyranosyl-D-glucopyranose|Galbeta1,3GlcNAc|Galbeta1-3GlcNAc|Lacto-N-biose|WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2/a3-b1|beta-D-Gal-(1->3)-D-GlcNAc|beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-D-glucopyranose|beta-D-galactosyl-(1->3)-N-acetyl-D-glucosamine|beta-D-galactsyl-(1->3)-N-acetyl-D-glucosamine|betaGal1->3DGlcNAc http://purl.obolibrary.org/obo/CHEBI_27707 3_STAR
CHEBI:27708 biolink:ChemicalSubstance diethyl hydrogen phosphate A dialkyl phosphate having ethyl as the alkyl group. CAS:598-02-7|HMDB:HMDB0012209|KEGG:C06608|PDBeChem:DPF|PMID:17590257|PMID:20494630|PMID:22251442|PMID:23522525|Reaxys:1704113|UM-BBD_compID:c0087 phenio.json Diethylphosphate|Diethylphosphoric acid|O,O-Diethylphosphoric acid|diethyl hydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_27708 3_STAR
CHEBI:27711 biolink:ChemicalSubstance precorrin-3B The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which three methyl groups have been introduced at positions 2, 7 and 20 of the tetrapyrrole framework and in which the carboxymethyl group at position 2 has been oxidised to form a lactone ring. Beilstein:6365776|KEGG:C06406 phenio.json 3,3',3'',3'''-(7S,8S,12S,13S,14R,15S)-2,7,12,18-tetrakis(2-carboxyethyl)-3,8,17-tris(carboxymethyl)-15-hydroxy-8,13,15-trimethyl-7,8,12,13,14,15,20,24-octahydroporphyrin-13(1),14-carbolactone|Precorrin 3B http://purl.obolibrary.org/obo/CHEBI_27711 3_STAR
CHEBI:27713 biolink:ChemicalSubstance (5S)-5-amino-3-oxohexanoic acid KEGG:C03656|LIPID_MAPS_instance:LMFA01060173|PDBeChem:KMH phenio.json (5S)-5-amino-3-oxohexanoic acid|(S)-5-Amino-3-oxohexanoate|(S)-5-amino-3-oxohexanoate http://purl.obolibrary.org/obo/CHEBI_27713 3_STAR
CHEBI:27714 biolink:ChemicalSubstance 6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one A member of the class of pyrimidodiazepine 3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one bearing amino and acetyl substituents at positions 2 and 6 respectively. CAS:80003-63-0|MetaCyc:A-PYRIMIDODIAZEPINE|PMID:16712527|PMID:2775176|PMID:7171579|Reaxys:4191851 phenio.json 2-Amino-4-oxo-6-acetyl-7,8-dihydro-3H,9H-pyrimidodiazepine|2-amino-6-acetyl-3,7,8,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepin-4-one|6-Acetyldihydrohomopterin|6-Acetylhomopterin|6-acetyl-2-amino-3,7,8,9-tetrahydropyrimido[4,5-b][1,4]diazepin-4-one http://purl.obolibrary.org/obo/CHEBI_27714 3_STAR
CHEBI:27715 biolink:ChemicalSubstance 3-chlorocatechol A chlorocatechol that is catechol in which the hydrogen adjacent to one of the hydroxy groups is replaced by a chlorine. Beilstein:1936442|CAS:4018-65-9|Gmelin:601665|KEGG:C05618|UM-BBD_compID:c0144 phenio.json 3-Chlorocatechol|3-chlorobenzene-1,2-diol|3-chlorocatechol|3-chloropyrocatechol http://purl.obolibrary.org/obo/CHEBI_27715 3_STAR
CHEBI:27717 biolink:ChemicalSubstance gibberellin A1 A C19-gibberellin, initially identified in Gibberella fujikuroi. CAS:545-97-1|KEGG:C00859|KNApSAcK:C00000001|LIPID_MAPS_instance:LMPR0104170001|MetaCyc:CPD1F-139|PMID:24100624|PMID:24232845|PMID:24281950|Reaxys:96530 phenio.json (1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid|2beta,7alpha-dihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid|GA1|Gibberellin 1|Gibberellin A1 http://purl.obolibrary.org/obo/CHEBI_27717 3_STAR
CHEBI:27721 biolink:ChemicalSubstance trans-tetradec-2-enoyl-CoA KEGG:C05273 phenio.json (2E)-Tetradecenoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(2E)-tetradec-2-enoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}|trans-Tetradec-2-enoyl-CoA|trans-tetradec-2-enoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_27721 3_STAR
CHEBI:27726 biolink:ChemicalSubstance 6-chloro-1,3,5-triazine-2,4-diamine Beilstein:124340|CAS:3397-62-4|KEGG:C06560|UM-BBD_compID:c0170 phenio.json 2,4-diamino-6-chloro-1,3,5-triazine|2,4-diamino-6-chloro-s-triazine|2-chloro-4,6-diamino-s-triazine|2-chloro-4,6-diaminotriazine|6-chloro-1,3,5-triazine-2,4-diamine|Deisopropyldeethylatrazine http://purl.obolibrary.org/obo/CHEBI_27726 3_STAR
CHEBI:27727 biolink:ChemicalSubstance androstane-3,17-diol Beilstein:9220448|CAS:25126-76-5|KEGG:C07632 phenio.json Androstane-3,17-diol|Androstanediol|androstane-3,17-diol http://purl.obolibrary.org/obo/CHEBI_27727 3_STAR
CHEBI:27730 biolink:ChemicalSubstance D-isoleucine The D-enantiomer of isoleucine. CAS:319-78-8|Gmelin:278733|KEGG:C06418|PDBeChem:DIL|PMID:24312553|PMID:24966047|PMID:3289762|PMID:4150713|PMID:57739|Patent:US2011059503|Patent:US7741540|Reaxys:1721793|YMDB:YMDB00853 phenio.json (2R,3R)-2-Amino-3-methylvaleric acid|(2R,3R)-2-amino-3-methylpentanoic acid|(R)-2-Amino-(S)-3-methylvaleric acid|D-ISOLEUCINE|D-Isoleucine|D-isoleucine|DIL http://purl.obolibrary.org/obo/CHEBI_27730 3_STAR
CHEBI:27731 biolink:ChemicalSubstance N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide A glycotriaosylceramide having N-acetyl-beta-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl as the triaosyl component. KEGG:C06135|KEGG:G00123|PMID:10497228|PMID:10497993|PMID:16341241|PMID:1724444|PMID:2430018|PMID:2448252|PMID:490046|PMID:512581|PMID:6802814|PMID:7691279|PMID:7691804|PMID:7961890|PMID:7980468|PMID:9972878 phenio.json (Gal)1 (GalNAc)1 (Glc)1 (Cer)1|Asialo GM2-re-N-acetylated|GA2|GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer|GalNAc-beta1->4LacCer|GgOSe3Cer|N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide|N-acetyl-beta-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramides|a ganglioside GA2 (d18:1(4E))|asialo GM2|asialoganglioside GM2|beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer|beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer http://purl.obolibrary.org/obo/CHEBI_27731 3_STAR
CHEBI:27732 biolink:ChemicalSubstance caffeine A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. CAS:58-08-2|DrugBank:DB00201|Drug_Central:463|Gmelin:103040|HMDB:HMDB0001847|KEGG:C07481|KEGG:D00528|KNApSAcK:C00001492|LINCS:LSM-2026|MetaCyc:1-3-7-TRIMETHYLXANTHINE|PDBeChem:CFF|PMID:10510174|PMID:10796597|PMID:10803761|PMID:10822912|PMID:10884512|PMID:10924888|PMID:10983026|PMID:11014293|PMID:11022879|PMID:11209966|PMID:11312039|PMID:11410911|PMID:11431501|PMID:11815511|PMID:11949272|PMID:12397877|PMID:12457274|PMID:12574990|PMID:12915014|PMID:12943586|PMID:14521986|PMID:14607010|PMID:15257305|PMID:15280431|PMID:15681408|PMID:15718055|PMID:15840517|PMID:16143823|PMID:16391865|PMID:16528931|PMID:16644114|PMID:16709440|PMID:16805851|PMID:16856769|PMID:17132260|PMID:17387608|PMID:17508167|PMID:17724925|PMID:17932622|PMID:17957400|PMID:18068204|PMID:18258404|PMID:18421070|PMID:18513215|PMID:18625110|PMID:18647558|PMID:19007524|PMID:19047957|PMID:19084078|PMID:19088793|PMID:19418355|PMID:19879252|PMID:20164568|PMID:20470411|PMID:22114686|PMID:22770225|PMID:23551936|PMID:24039592|PMID:7441110|PMID:7689104|PMID:8332255|PMID:8347173|PMID:8679661|PMID:9063686|PMID:9067318|PMID:9132918|PMID:9218278|Reaxys:17705|Wikipedia:Caffeine phenio.json 1,3,7-Trimethylxanthine|1,3,7-trimethyl-2,6-dioxopurine|1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione|1,3,7-trimethylpurine-2,6-dione|1,3,7-trimethylxanthine|1-methyltheobromine|3,7-Dihydro-1,3,7-trimethyl-1H-purin-2,6-dion|7-methyltheophylline|CAFFEINE|Caffeine|Coffein|Koffein|Thein|anhydrous caffeine|cafeina|cafeine|caffeine|guaranine|mateina|methyltheobromine|teina|theine http://purl.obolibrary.org/obo/CHEBI_27732 3_STAR
CHEBI:27735 biolink:ChemicalSubstance 5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide KEGG:C04916|PDBeChem:2ER|PMID:12795595 phenio.json 5-[(5-O-phosphono-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-O-phosphono-beta-D-ribosyl)imidazole-4-carboxamide|5-[(5-Phospho-1-deoxyribulos-1-ylamino)methylideneamino]-1-(5-phosphoribosyl)imidazole-4-carboxamide|N(1)-(5'-phosphoribulosyl)-formimino-5-aminoimidazole-4-carboxamide ribonucleotide|N-(5'-Phospho-D-1'-ribulosylformimino)-5-amino-1-(5''-phospho-D-ribosyl)-4-imidazolecarboxamide|PRFAR|Phosphoribulosyl-formimino-AICAR-phosphate http://purl.obolibrary.org/obo/CHEBI_27735 3_STAR
CHEBI:27740 biolink:ChemicalSubstance gamma-carotene A cyclic carotene obtained by the cyclisation of lycopene. CAS:472-93-5|KEGG:C05435|KNApSAcK:C00000926|LIPID_MAPS_instance:LMPR01070260|MetaCyc:CPD1F-126|PMID:13114888|PMID:14817276|PMID:17992006|PMID:23412054|PMID:4784609|Reaxys:2066713|Wikipedia:Gamma-carotene phenio.json beta,psi-carotene|gamma-Carotene|gamma-carotene http://purl.obolibrary.org/obo/CHEBI_27740 3_STAR
CHEBI:27741 biolink:ChemicalSubstance 3'-hydroxyflavonoid Any hydroxyflavone with a hydroxy substituent at position 3'. KEGG:C02790 phenio.json 3'-Hydroxyflavonoid|3'-hydroxyflavones|3'-hydroxyflavonoids|a 3'-hydroxyflavone http://purl.obolibrary.org/obo/CHEBI_27741 3_STAR
CHEBI:27742 biolink:ChemicalSubstance gibberellin A20 A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and development. Initially identified in Gibberella fujikuroi, it differs from gibberellin A1 in lacking an OH group at C-2 (gibbane numbering). CAS:19143-87-4|KEGG:C02035|KNApSAcK:C00000020|LIPID_MAPS_instance:LMPR0104170004|PMID:24100624|PMID:24232845|PMID:24458818|PMID:24858937|Reaxys:8732051 phenio.json (1R,2R,5S,8S,9S,10R,11R)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid|7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid|GA20|Gibberellin 20|Gibberellin A20 http://purl.obolibrary.org/obo/CHEBI_27742 3_STAR
CHEBI:27744 biolink:ChemicalSubstance glyphosate A phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbicides worldwide, and the only one to target the enzyme 5-enolpyruvyl-3-shikimate phosphate synthase (EPSPS). Beilstein:2045054|CAS:1071-83-6|DrugBank:DB04539|Gmelin:279222|KEGG:C01705|PDBeChem:GPF|PDBeChem:GPJ|PMID:27758090|PMID:28266132|PMID:28474816|PMID:28643882|PMID:28711546|PMID:30471482|PMID:30875550|PMID:31030151|PMID:31342895|PPDB:373|Pesticides:glyphosate|UM-BBD_compID:c0134|Wikipedia:Glyphosate phenio.json Glyphosate|N-(phosphonomethyl)glycine|Roundup http://purl.obolibrary.org/obo/CHEBI_27744 3_STAR
CHEBI:27747 biolink:ChemicalSubstance L-homoarginine An L-lysine derivative that is the L-enantiomer of homoarginine. CAS:156-86-5|DrugBank:DB03974|HMDB:HMDB0000670|KEGG:C01924|KNApSAcK:C00001364|PDBeChem:HRG|PMID:12768501|PMID:18802314|PMID:21737361|PMID:25153574|PMID:25474016|PMID:25618752|PMID:25647833|PMID:25746168|PMID:25792110|PMID:25820767|PMID:25828044|PMID:25832546|PMID:25894888|PMID:25957527|PMID:26031828|PMID:26055922|PMID:26077714|PMID:26210755|PMID:26562034|PMID:26573540|PMID:26676627|PMID:6174211|PMID:6186121|PMID:6191705|PMID:7518015|Reaxys:1726127 phenio.json Homo-L-arginine|Homoarginine|L-N(6)-amidinolysine|N(6)-carbamimidoyl-L-lysine|N6-(Aminoiminomethyl)-L-lysine|N6-amidino-L-Lysine|N6-amidino-Lysine http://purl.obolibrary.org/obo/CHEBI_27747 3_STAR
CHEBI:27748 biolink:ChemicalSubstance D-ribosylnicotinic acid A pyridine nucleoside consisting of nicotinic acid with a beta-D-ribofuranosyl moiety at the 1-position. KEGG:C05841|Reaxys:7043166 phenio.json 3-carboxy-1-(D-ribofuranosyl)pyridinium|Nicotinate D-ribonucleoside|nicotinic acid riboside http://purl.obolibrary.org/obo/CHEBI_27748 3_STAR
CHEBI:27750 biolink:ChemicalSubstance ethyl acetate The acetate ester formed between acetic acid and ethanol. CAS:141-78-6|Gmelin:26306|HMDB:HMDB0031217|KEGG:C00849|KEGG:C01883|KEGG:D02319|KNApSAcK:C00001308|PDBeChem:EEE|PMID:11684179|PMID:15497757|PMID:21764274|PMID:21797203|PMID:23078109|PMID:23089728|PMID:23108979|PMID:23351147|PMID:23614288|Reaxys:506104|UM-BBD_compID:c0036|Wikipedia:Ethyl_acetate phenio.json 1-acetoxyethane|AcOEt|Acetyl ester|CH3-CO-O-CH3|ETHYL ACETATE|Essigester|Essigsaeureethylester|EtOAc|Ethyl acetate|Ethylacetat|Ethylazetat|acetic acid ethyl ester|acetic acid, ethyl ester|acetic ester|acetoxyethane|ethyl acetate|ethyl acetic ester|ethyl ethanoate|vinegar naphtha http://purl.obolibrary.org/obo/CHEBI_27750 3_STAR
CHEBI:27754 biolink:ChemicalSubstance methacrylyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of methacrylic acid. CAS:6008-91-9|DrugBank:DB01675|KEGG:C03460|MetaCyc:METHACRYLYL-COA|PDBeChem:2MC|PMID:10989419|PMID:11580916|Reaxys:78213 phenio.json 2-Methylprop-2-enoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylprop-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}|Methacrylyl-CoA|Methacrylyl-coenzyme A|Methylacrylyl-CoA|S-methacryloyl-CoA|S-methacryloyl-coenzyme-A http://purl.obolibrary.org/obo/CHEBI_27754 3_STAR
CHEBI:27757 biolink:ChemicalSubstance 4-chlorobiphenyl A monochlorobiphenyl carrying a chloro substituent at position 4. CAS:2051-62-9|Gmelin:131583|KEGG:C06584|PMID:23137097|PMID:23250224|PMID:24007621|Reaxys:774966|UM-BBD_compID:c0177 phenio.json 1-Chloro-4-phenyl benzene|4-Chlorbiphenyl|4-Chlorobiphenyl|4-Monochloro-biphenyl|4-chloro-1,1'-biphenyl|4-chlorodiphenyl|p-chlorobiphenyl|p-chlorodiphenyl http://purl.obolibrary.org/obo/CHEBI_27757 3_STAR
CHEBI:27760 biolink:ChemicalSubstance L-selenocystathionine An optically active form of selenocystathionine in which both amino acid residues have L-configuration. KEGG:C05699|PMID:20387001|Reaxys:2371675 phenio.json (2S)-2-amino-4-{[(2R)-2-amino-2-carboxyethyl]selanyl}butanoic acid|L,L-selenocystathionine http://purl.obolibrary.org/obo/CHEBI_27760 3_STAR
CHEBI:27761 biolink:ChemicalSubstance (S)-prunasin AGR:IND43728879|Beilstein:91508|CAS:99-18-3|CAS:99-19-4|FooDB:FDB013582|HMDB:HMDB0034981|KEGG:C00844|KEGG:C04273|KNApSAcK:C00001454|MetaCyc:CPD-20541|PMID:10854744|PMID:32688921 phenio.json (2S)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile|(2S)-sambunigrin|(S)-(beta-D-glucopyranosyloxy)(phenyl)acetonitrile|(S)-Mandelonitrile beta-D-glucoside|(S)-O-beta-D-glucopyranosylmandelonitrile|(S)-mandelonitrile beta-D-glucoside|(S)-sambunigrin|L-prunasin|sambunigrin http://purl.obolibrary.org/obo/CHEBI_27761 3_STAR
CHEBI:27762 biolink:ChemicalSubstance 3-hydroxypropanoyl-CoA KEGG:C05668 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxypropanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-Hydroxypropanoyl coenzymeA|3-Hydroxypropanoyl-CoA|3-Hydroxypropionyl coenzyme A|3-Hydroxypropionyl-CoA|beta-Hydroxypropionyl-CoA http://purl.obolibrary.org/obo/CHEBI_27762 3_STAR
CHEBI:27767 biolink:ChemicalSubstance 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone A dimethoxyflavone that is the 3,7-di-O-methyl derivative of quercetagetin. KEGG:C04581|KNApSAcK:C00004685|LIPID_MAPS_instance:LMPK12112991|MetaCyc:CPD-10527|Reaxys:1440997 phenio.json 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3,7-dimethoxy-4H-chromen-4-one|3',4',5,6-Tetrahydroxy-3,7-dimethoxyflavone|3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone|3,7-dimethylquercetagetin|tomentin http://purl.obolibrary.org/obo/CHEBI_27767 3_STAR
CHEBI:27773 biolink:ChemicalSubstance cis-3-enoyl-CoA A 3-enoyl-CoA in which the beta C=C double bond has cis stereochemistry. KEGG:C05057 phenio.json cis-3-Enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_27773 3_STAR
CHEBI:27775 biolink:ChemicalSubstance P(1),P(3)-bis(5'-adenosyl) triphosphate A diadenosyl triphosphate having the two 5'-adenosyl residues attached at the P(1)- and P(3)-positions. Beilstein:603878|CAS:56432-02-1|CAS:5959-90-0|KEGG:C06197|PDBeChem:BA3 phenio.json 5'Ap3A|A(5')p3(5')A|Adenosine 5'-triphosphate 5'-adenosine|Adenosine(3)triphosphate adenosine|Ap3A|ApppA|Diadenosine triphosphate|P(1),P(3)-bis(5'-adenosyl) trihydrogen triphosphate|P1,P3-Bis(5'-adenosyl) triphosphate|adenosine(5')triphospho(5')adenosine http://purl.obolibrary.org/obo/CHEBI_27775 3_STAR
CHEBI:27777 biolink:ChemicalSubstance acetohydroxamic acid A member of the class of acetohydroxamic acids that is acetamide in which one of the amino hydrogens has been replaced by a hydroxy group. Beilstein:1739019|CAS:546-88-3|DrugBank:DB00551|Drug_Central:58|KEGG:C06808|KEGG:D00220|PDBeChem:HAE|Wikipedia:Acetohydroxamic_Acid phenio.json ACETOHYDROXAMIC ACID|AHA|Acethydroxamsaeure|Acethydroxamsaure|Acetic acid, oxime|Acetohydroxamic acid|Acetylhydroxamic acid|Cetohyroxamic acid|Lithostat|Methylhydroxamic acid|N-Acetyl hydroxyacetamide|N-Acetylhydroxylamine|N-Hydroxyacetamide|N-hydroxyacetamide|acetohydroxamic acid|acide acetohydroxamique|acido acetohidroxamico|acidum acetohydroxamicum http://purl.obolibrary.org/obo/CHEBI_27777 3_STAR
CHEBI:27779 biolink:ChemicalSubstance griseofulvin An oxaspiro compound produced by Penicillium griseofulvum. It is used by mouth as an antifungal drug for infections involving the scalp, hair, nails and skin that do not respond to topical treatment. CAS:126-07-8|DrugBank:DB00400|Drug_Central:1331|KEGG:C06686|KEGG:D00209|KNApSAcK:C00002398|LINCS:LSM-5259|LIPID_MAPS_instance:LMPK13060001|MetaCyc:CPD-17786|PMID:14407521|PMID:15078340|PMID:16922553|PMID:23111828|PMID:25476923|PMID:3277037|PPDB:1807|Patent:US3069328|Patent:US3069329|Reaxys:95226|VSDB:1807|Wikipedia:Griseofulvin phenio.json (+)-griseofulvin|(2S,6'R)-7-chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione|Curling factor|Fulcin|Fulvicin|Grifulvin|Grisactin|Griseofulvin|Grisovin|Grysio|Lamoryl|Likuden|Poncyl|Spirofulvin|Sporostatin|amudane|griseofulvin|griseofulvina|griseofulvine|griseofulvinum http://purl.obolibrary.org/obo/CHEBI_27779 3_STAR
CHEBI:27780 biolink:ChemicalSubstance detergent A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions. KEGG:C01689 phenio.json Detergents|detergent http://purl.obolibrary.org/obo/CHEBI_27780 3_STAR
CHEBI:27784 biolink:ChemicalSubstance gentamycin C1a CAS:26098-04-4|DrugBank:DB04729|KEGG:C00908 phenio.json (1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside|Gentamicin C1a|Gentamycin C12|O-3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-2-deoxy-D-streptamine http://purl.obolibrary.org/obo/CHEBI_27784 3_STAR
CHEBI:27786 biolink:ChemicalSubstance hydroxocobalamin CAS:13422-51-0|Chemspider:28534326|DrugBank:DB00200|FooDB:FDB003166|Gmelin:5723|HMDB:HMDB0002308|KEGG:C08230|KEGG:D01027|KNApSAcK:C00050467|MetaCyc:CPD0-1256|PMID:11830394|PMID:15815367|PMID:20352539|PMID:31000316|PMID:31864779|PMID:32718732|PMID:32815652|PMID:33005568|PMID:33224611|PMID:33246585|PMID:33283331|PMID:33444605|PMID:33692053|PMID:33754111|PMID:33912838|PMID:34023033|PMID:34176677|PMID:7802338|PMID:8012169|PMID:8440794|PMID:8857117|PMID:9102519|Wikipedia:Hydroxocobalamin phenio.json AlphaRedisol|Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-hydroxocobamide|Cyanokit|Hydroxycobalamin|OH-Cbl|hidroxocobalamina|hydroxocobalamin|hydroxocobalamine|hydroxocobalaminum|vitamin B-12b http://purl.obolibrary.org/obo/CHEBI_27786 3_STAR
CHEBI:27787 biolink:ChemicalSubstance 15-cis-phytoene Beilstein:1717506|KEGG:C05421|KNApSAcK:C00000905|LIPID_MAPS_instance:LMPR01070255|Wikipedia:Phytoene phenio.json (6E,10E,14E,16Z,18E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,14,16,18,22,26,30-nonaene|15-cis-7,8,11,12,7',8',11',12'-octahydro-psi,psi-carotene|15-cis-phytoene|cis-phytoene http://purl.obolibrary.org/obo/CHEBI_27787 3_STAR
CHEBI:27789 biolink:ChemicalSubstance 1,2-dichloroethane A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2. CAS:107-06-2|DrugBank:DB03733|Gmelin:49272|HMDB:HMDB0029571|KEGG:C06752|MetaCyc:12-DICHLOROETHANE|PDBeChem:DCE|PMID:17564600|PMID:18579268|PMID:24228488|PMID:24329990|PMID:24441515|PMID:31520740|PMID:32830330|PMID:33047531|PPDB:2774|Reaxys:605264|UM-BBD_compID:c0001|Wikipedia:1,2-Dichloroethane phenio.json 1,2-DCE|1,2-DICHLOROETHANE|1,2-Dichloraethan|1,2-Dichloroethane|1,2-dichloroethane|Aethylenchlorid|Aethylendichlorid|DCE|Dutch liquid|EDC|Ethylene dichloride|Glycol dichloride|alpha,beta-dichloroethane|ethane dichloride|ethylene chloride http://purl.obolibrary.org/obo/CHEBI_27789 3_STAR
CHEBI:27791 biolink:ChemicalSubstance P(1),P(4)-bis(uridin-5'-yl) tetraphosphate A pyrimidine ribonucleoside 5'-tetraphosphate compound having 5'-uridinyl residues at the P(1)- and P(4)-positions. Beilstein:10232670|CAS:59985-21-6|Drug_Central:4900|KEGG:C06198 phenio.json Diquafosol|P1,P4-Bis(5'-uridyl) tetrahydrogen tetraphosphate http://purl.obolibrary.org/obo/CHEBI_27791 3_STAR
CHEBI:27794 biolink:ChemicalSubstance isoferulic acid A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring. CAS:537-73-5|DrugBank:DB07109|HMDB:HMDB0000955|KEGG:C10470|KNApSAcK:C00002752|PDBeChem:4FE|PMID:18314290|PMID:21937734|PMID:21941899|PMID:22770225|Reaxys:2212760 phenio.json (2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid|3-Hydroxy-4-methoxycinnamic acid|Hesperetic acid http://purl.obolibrary.org/obo/CHEBI_27794 3_STAR
CHEBI:27795 biolink:ChemicalSubstance beta-erythroidine An organic heterotetracyclic indole alkaloid isolated from the seeds and other parts of Erythrina species. It differs from the alpha isomer in having the double bond of the dihydropyranone ring located beta,gamma- to the lactone carbonyl group instead of alpha,beta-. CAS:466-81-9|KEGG:C06532|KNApSAcK:C00001854|PMID:15437298|PMID:16550620|PMID:16898793|PMID:21018227|Patent:US2373952|Patent:US2385266|Patent:US2407713|Reaxys:36194 phenio.json (+)-beta-erythroidine|(4bS,6R)-6-methoxy-1,4,6,10,12,13-hexahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one|12,13-didehydro-13,14-dihydro-alpha-erythroidine http://purl.obolibrary.org/obo/CHEBI_27795 3_STAR
CHEBI:27796 biolink:ChemicalSubstance trimethobenzamide The amide obtained by formal condensation of 3,4,5-trihydroxybenzoic acid with 4-[2-(N,N-dimethylamino)ethoxy]benzylamine. It is used to prevent nausea and vomitting in humans. Beilstein:2186451|CAS:138-56-7|DrugBank:DB00662|Drug_Central:2754|KEGG:C07178|KEGG:D08643|LINCS:LSM-2750|Wikipedia:Trimethobenzamide phenio.json N-[[4-(2-dimethylaminoethoxy)phenyl]methyl]-3,4,5-trimethoxybenzamide|N-{4-[2-(dimethylamino)ethoxy]benzyl}-3,4,5-trimethoxybenzamide|trimethobenzamide|trimethobenzamidum|trimetobenzamida http://purl.obolibrary.org/obo/CHEBI_27796 3_STAR
CHEBI:27798 biolink:ChemicalSubstance nitrobenzene A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. CAS:98-95-3|Gmelin:50357|HMDB:HMDB0041950|KEGG:C06813|MetaCyc:BENZENE-NO2|PDBeChem:NBZ|PMID:11304127|PMID:12595155|Reaxys:507540|UM-BBD_compID:c0313|Wikipedia:Nitrobenzene phenio.json NITROBENZENE|Nitrobenzene|Nitrobenzol|nitrobenzene|oil of mirbane http://purl.obolibrary.org/obo/CHEBI_27798 3_STAR
CHEBI:27802 biolink:ChemicalSubstance 2,3-dihydroxybenzenesulfonic acid A dihydroxybenzenesulfonic acid in which the hydroxy groups are located at positions 2 and 3. KEGG:C06336|MetaCyc:3-SULFOCATECHOL|PMID:22770225|Reaxys:3271483 phenio.json 2,3-Dihydroxybenzenesulfonate|2,3-dihydroxybenzenesulfonic acid|3-Sulfocatechol http://purl.obolibrary.org/obo/CHEBI_27802 3_STAR
CHEBI:27803 biolink:ChemicalSubstance cis-2-enoyl-CoA A 2-enoyl-CoA in which the double bond between positions 2 and 3 of the S-acyl group has cis- geometry. KEGG:C01122|MetaCyc:CIS-D2-ENOYL-COA|MetaCyc:Cis-2-enoyl-CoAs phenio.json (Z)-2-enoyl-CoA|2,3-cis-enoyl CoA|Z-2,3-dehydroacyl-CoA|cis-2,3-dehydroacyl-CoA|cis-2-enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_27803 3_STAR
CHEBI:27804 biolink:ChemicalSubstance cyclohexanecarboxylate A monocarboxylic acid anion that is the conjugate base of cyclohexanecarboxylic acid. CAS:3198-23-0|Gmelin:325917|Reaxys:3904573 phenio.json cyclohexane-1-carboxylate|cyclohexanecarboxylate|cyclohexanecarboxylic acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_27804 3_STAR
CHEBI:27808 biolink:ChemicalSubstance heroin A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses. CAS:561-27-3|DrugBank:DB01452|Drug_Central:4412|KEGG:C06534|KEGG:D07286|PMID:10454516|PMID:11441925|PMID:11448454|PMID:11557911|PMID:12965116|PMID:14534521|PMID:15212982|PMID:15213301|PMID:15550572|PMID:15772255|PMID:15843500|PMID:16076083|PMID:16333714|PMID:20331562|PMID:20649590|PMID:20735218|PMID:20810225|PMID:20855171|PMID:21235340|PMID:21309955|PMID:21362452|PMID:21452028|PMID:21527184|PMID:21568984|PMID:21608377|PMID:21734607|PMID:21740578|PMID:2352148|PMID:8858977|PMID:8893832|PMID:9918543|Reaxys:99261|Wikipedia:Heroin phenio.json (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester)|17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diyl diacetate|3,6-Diacetylmorphine|7,8-Dihydro-4,5-alpha-epoxy-17-methylmorphinan-3,6-alpha-diol diacetate|Diacetylmorphine|Diamorphine|Heroin|O,O'-Diacetylmorphine http://purl.obolibrary.org/obo/CHEBI_27808 3_STAR
CHEBI:27809 biolink:ChemicalSubstance L-4-hydroxyglutamic semialdehyde A glutamic semialdehyde that is L-glutamic 5-semialdehyde substituted by a hydroxy group at position 4. Beilstein:1706756|KEGG:C05938 phenio.json (2S,4R)-2-amino-4-hydroxy-5-oxopentanoic acid|(4R)-4-hydroxy-5-oxo-L-norvaline|4-amino-3,4-dideoxy-D-erythro-penturonic acid http://purl.obolibrary.org/obo/CHEBI_27809 3_STAR
CHEBI:2781 biolink:ChemicalSubstance apocynin An aromatic ketone that is 1-phenylethanone substituted by a hydroxy group at position 4 and a methoxy group at position 3. CAS:498-02-2|KEGG:C11380|KNApSAcK:C00002689|PDBeChem:I75|PMID:21848266|PMID:21954959|PMID:24870309|Reaxys:637373|Wikipedia:Apocynin phenio.json 1-(4-Hydroxy-3-methoxyphenyl)ethanone|1-(4-hydroxy-3-methoxyphenyl)ethan-1-one|4'-hydroxy-3'-methoxyacetophenone|4-Acetyl-2-methoxyphenol|4-Hydroxy-3-methoxyphenyl methyl ketone|Acetoguaiacon|Acetoguaiacone|Acetovanillone|Apocynin http://purl.obolibrary.org/obo/CHEBI_2781 3_STAR
CHEBI:27810 biolink:ChemicalSubstance resorcinol A benzenediol that is benzene dihydroxylated at positions 1 and 3. CAS:108-46-3|Drug_Central:3524|Gmelin:26734|HMDB:HMDB0032037|KEGG:C01751|KEGG:D00133|KNApSAcK:C00002671|MetaCyc:CPD-623|PDBeChem:RCO|PMID:11792395|PMID:23352755|PMID:24269627|PMID:29079364|PMID:3263257|Reaxys:906905|UM-BBD_compID:c0265|Wikipedia:Resorcinol phenio.json 1,3-Benzenediol|1,3-Dihydroxybenzene|1,3-Dihydroxybenzol|RESORCINOL|Resorcin|Resorcinol|Resorzin|benzene-1,3-diol|m-Hydroquinone|m-hydroxyphenol|resorcinol http://purl.obolibrary.org/obo/CHEBI_27810 3_STAR
CHEBI:27811 biolink:ChemicalSubstance undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine An undecaprenyldiphospho-N-acetylmuramoyl peptide in which the peptide moiety is L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine. PMID:15228543 phenio.json N-acetylmuramoyl-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine-diphosphoundecaprenyl-N-acetylglucosamine|Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-isoglutaminyl-L-lysyl-D-alanyl-D-alanine http://purl.obolibrary.org/obo/CHEBI_27811 3_STAR
CHEBI:27812 biolink:ChemicalSubstance Se-methyl-L-selenocysteine An L-alpha-amino acid compound having methylselanylmethyl as the side-chain. Beilstein:2636762|CAS:2574-71-2|CAS:26046-90-2|KEGG:C05689 phenio.json (2R)-2-amino-3-methylselanylpropanoic acid|L-methylselenocysteine|Methylselenocysteine|Se-Methyl-L-selenocysteine|Se-Methyl-selenocysteine|Se-methyl-seleno-L-cysteine|Se-methylselenocysteine|Selenium methyl cysteine|Selenium-methylselenocystine|Selenohomocysteine|Selenomethylselenocysteine|methyl-L-selenocysteine http://purl.obolibrary.org/obo/CHEBI_27812 3_STAR
CHEBI:27814 biolink:ChemicalSubstance 12-dehydro-leukotriene B4 A long-chain fatty acid consisting of leukotriene B4 having a 12-keto group in place of the 12-hydroxy group. CAS:136696-10-1|KEGG:C05949|LIPID_MAPS_instance:LMFA03020024|PMID:8394361|PMID:8632343|Reaxys:7253020 phenio.json (5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoeicosa-6,8,10,14-tetraenoic acid|(5S,6Z,8E,10E,14Z)-5-hydroxy-12-oxoicosa-6,8,10,14-tetraenoic acid|12-Keto-LTB4|12-Keto-leukotriene B4|12-Oxo-ltb4|12-Oxoleukotriene B4|12-oxo-LTB4|5(S)-hydroxy-12-oxo-6(Z),8(E),10(E),14(Z)-eicosatetraenoic acid|5-Hydroxy-12-oxo-delta5,8,11,14-eicosapolyenoic acid|5S-hydroxy-12-keto-6Z,8E,10E,14Z-eicosatetraenoic acid http://purl.obolibrary.org/obo/CHEBI_27814 3_STAR
CHEBI:27820 biolink:ChemicalSubstance prostaglandin A2 CAS:13345-50-1|KEGG:C05953|LIPID_MAPS_instance:LMFA03010035 phenio.json (+)-Prostaglandin A(sup 2)|(15S)-PGA2|(15S)-Prostaglandin A2|(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,10,13-trien-1-oic acid|5,6-cis-PGA2|Medullin|PGA2|Prostaglandin A2 http://purl.obolibrary.org/obo/CHEBI_27820 3_STAR
CHEBI:27821 biolink:ChemicalSubstance (S)-methylmalonaldehydic acid A 2-methyl-3-oxopropanoic acid that has S-configuration. Beilstein:4364493|KEGG:C06002 phenio.json (2S)-2-methyl-3-oxopropanoic acid|(S)-Methylmalonate semialdehyde http://purl.obolibrary.org/obo/CHEBI_27821 3_STAR
CHEBI:27822 biolink:ChemicalSubstance 2-aminobenzimidazole A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group. CAS:934-32-7|KEGG:C10901|PDBeChem:AX7|PMID:22076761|PMID:22488868|PMID:22958065|PMID:24098350|Reaxys:116525 phenio.json 1H-benzimidazol-2-amine|2-Aminobenzimidazole|2-Iminobenzimidazoline|2-aminobenzimidazole|Benzimidazol-2-ylamine http://purl.obolibrary.org/obo/CHEBI_27822 3_STAR
CHEBI:27823 biolink:ChemicalSubstance (5-hydroxyindol-3-yl)acetic acid A member of the class of indole-3-acetic acids that is indole-3-acetic acid substituted by a hydroxy group at C-5. CAS:54-16-0|HMDB:HMDB0000763|KEGG:C05635|KNApSAcK:C00000104|MetaCyc:5-HYDROXYINDOLE_ACETATE|PMID:11063613|PMID:11113939|PMID:22770225|Reaxys:168797|Wikipedia:5-Hydroxyindoleacetic_acid phenio.json (5-hydroxy-1H-indol-3-yl)acetic acid|5-HIAA|5-Hydroxy-1H-indole-3-acetic acid|5-Hydroxyindol-3-ylacetic acid|5-Hydroxyindole-3-acetic acid|5-Hydroxyindoleacetic acid http://purl.obolibrary.org/obo/CHEBI_27823 3_STAR
CHEBI:27825 biolink:ChemicalSubstance 3',5-dihydroxy-3,4',7-trimethoxyflavone A trimethoxyflavone that is quercetin in which the hydroxy groups at positions 3, 4' and 7 have been replaced by methoxy groups. KEGG:C04444|KNApSAcK:C00004647 phenio.json 3',5-Dihydroxy-3,4',7-trimethoxyflavone|3,7,4'-O-trimethylquercetin|3,7,4'-tri-O-methylquercetin|5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-dimethoxy-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_27825 3_STAR
CHEBI:27826 biolink:ChemicalSubstance (S)-4-hydroxymandelonitrile beta-D-glucoside A beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. CAS:499-20-7|KEGG:C05143|KNApSAcK:C00001442|PMID:12114576|PMID:16660850|PMID:16663720|PMID:16666964|PMID:16667820|PMID:17126881|PMID:17706731|PMID:18003897|PMID:21541942|PMID:21707058|PMID:237909|Reaxys:92611 phenio.json (2S)-(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile|(S)-(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile|(S)-4-Hydroxymandelonitrile beta-D-glucoside|(alphaS)-alpha-(beta-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile|Dhurrin|dhurrin http://purl.obolibrary.org/obo/CHEBI_27826 3_STAR
CHEBI:27827 biolink:ChemicalSubstance paraoxon An aryl dialkyl phosphate where both the alkyl groups are ethyl and the aryl group is 4-nitrophenyl. CAS:311-45-5|Drug_Central:4683|Gmelin:51821|KEGG:C06606|PMID:24149933|PMID:24220671|PMID:24357355|PMID:24384224|PMID:24413757|PMID:24486155|PMID:24598740|Reaxys:1915526|UM-BBD_compID:c0088|Wikipedia:Paraoxon phenio.json O,O-diethyl O-p-nitrophenyl phosphate|Paraoxon|diethyl 4-nitrophenyl phosphate|diethyl p-nitrophenyl phosphate|diethyl paraoxon|ethyl paraoxon|p-nitrophenyl diethyl phosphate|paraoxon|phosphacol|phosphoric acid diethyl 4-nitrophenyl ester http://purl.obolibrary.org/obo/CHEBI_27827 3_STAR
CHEBI:27834 biolink:ChemicalSubstance pentostatin A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia. CAS:53910-25-1|DrugBank:DB00552|Drug_Central:2098|HMDB:HMDB0014692|KEGG:C02267|KEGG:D00155|PDBeChem:DCF|PMID:10877055|PMID:14748654|PMID:16321875|PMID:18602399|PMID:23361035|PMID:28057947|PMID:29032276|PMID:29051060|PMID:29056419|PMID:29196889|PMID:29269797|PMID:29460654|PMID:30454654|PMID:30820940|PMID:30825499|PMID:31336367|PMID:31566032|PMID:31576294|PMID:31643500|PMID:32539314|PMID:33437844|PMID:33476709|PMID:34227372|PMID:34563676|PMID:34851227|PMID:34984865|PMID:35933011|PMID:36115868|PMID:9622483|Patent:US20040181052|Wikipedia:Pentostatin phenio.json (8R)-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol|2'-deoxycoformycin|CI 825|CI-825|CI825|Nipent|PD 81565|PD-81565|PD-ADI|PD81565|YK-176|co-vidarabine|deoxycoformycin|pentostatin|pentostatina|pentostatine|pentostatinum http://purl.obolibrary.org/obo/CHEBI_27834 3_STAR
CHEBI:27843 biolink:ChemicalSubstance cyanidin cation An anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups. Beilstein:1690254|CAS:13306-05-3|KEGG:C05905|KNApSAcK:C00006614|LIPID_MAPS_instance:LMPK12010002|MetaCyc:CPD-591|PMID:23123597|PMID:23360684|PMID:23375153|PMID:23389674|Reaxys:1690254|Wikipedia:Cyanidin phenio.json 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-1-Benzopyrylium|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenium|2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium|3,3',4',5,7-pentahydroxyflavylium|3,5,7,3',4'-Pentahydroxyflavylium|Cyanidin|Cyanidine|Cyanidol http://purl.obolibrary.org/obo/CHEBI_27843 3_STAR
CHEBI:27845 biolink:ChemicalSubstance ditrans,polycis-polyprenyl diphosphate A polyprenol diphosphate that contains two double bonds in trans-configuration and an unspecified chain-length with double bonds in cis-configuration. HMDB:HMDB0060469|KEGG:C05859|PMID:10908715|PMID:11722180|PMID:12591616|PMID:1995611|PMID:24664694|PMID:2645280|PMID:31178134|PMID:31661879|PMID:3178234|PMID:32245241|PMID:34034154|PMID:34275143|PMID:34290587|PMID:35343646|PMID:35371326|PMID:37356182|PMID:37916302|PMID:38256083 phenio.json alpha-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-omega-[(2Z)-4-{[hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-en-1-yl]poly[(2Z)-2-methylbut-2-ene-1,4-diyl]|dehydrodolichol diphosphate|dehydrodolichyl diphosphate|di-trans,poly-cis-polyprenyl diphosphate|ditrans,polycis-polyprenyl diphosphate http://purl.obolibrary.org/obo/CHEBI_27845 3_STAR
CHEBI:27847 biolink:ChemicalSubstance 3-iodo-L-tyrosine The monoiodotyrosine that is L-tyrosine carrying an iodo-substituent at position C-3 of the benzyl group. CAS:70-78-0|DrugBank:DB01758|Gmelin:2110934|HMDB:HMDB0000021|KEGG:C02515|MetaCyc:CPD-12288|PDBeChem:IYR|PMID:12585904|PMID:15206581|PMID:19278648|PMID:21290538|PMID:8812261|Reaxys:2941266|Wikipedia:3-Iodotyrosine phenio.json (2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid|3-IODO-TYROSINE|3-Iodo-L-tyrosine|3-iodo-L-tyrosine|MIT http://purl.obolibrary.org/obo/CHEBI_27847 3_STAR
CHEBI:27848 biolink:ChemicalSubstance alpha-L-rhamnoside KEGG:C02757 phenio.json 6-deoxy-alpha-L-mannopyranoside|alpha-L-Rhamnoside|alpha-L-rhamnosides http://purl.obolibrary.org/obo/CHEBI_27848 3_STAR
CHEBI:27849 biolink:ChemicalSubstance toluene-4-sulfonic acid An arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group. Beilstein:472690|CAS:104-15-4|DrugBank:DB03120|Gmelin:3279|KEGG:C06677|PDBeChem:TSU phenio.json 4-methylbenzenesulfonic acid|4-toluenesulfonic acid|PARA-TOLUENE SULFONATE|Toluen-4-sulfonsaeure|Toluene-4-sulfonate|Tosylate|p-methylbenzenesulfonic acid|p-methylphenylsulfonic acid|p-toluenesulfonic acid|p-toluenesulphonic acid|p-tolylsulfonic acid|toluene-4-sulfonic acid|tosic acid|tosylic acid http://purl.obolibrary.org/obo/CHEBI_27849 3_STAR
CHEBI:27851 biolink:ChemicalSubstance keto-neuraminic acid The open-chain form of neuraminic acid. Reaxys:1714200 phenio.json (4S,5R,6R,7S,8R)-5-amino-4,6,7,8,9-pentahydroxy-2-oxononanoic acid http://purl.obolibrary.org/obo/CHEBI_27851 3_STAR
CHEBI:27852 biolink:ChemicalSubstance 3,4-dihydroxymandelaldehyde A hydroxyaldehyde consisting of phenylacetaldehyde having three hydroxy substituents located at the alpha-, 3- and 4-positions. It is a metabolite of noradrenaline. CAS:13023-73-9|FooDB:FDB023855|HMDB:HMDB0006242|KEGG:C05577|PMID:10424772|PMID:11532332|PMID:12729575|PMID:14697885|PMID:17379813|PMID:18783367|PMID:2817346|PMID:30191330|PMID:31793911|PMID:31841007|PMID:32552668|PMID:34503991|PMID:34506109|PMID:34609854|PMID:8813375|PMID:9237550|PMID:9518674|PMID:9878889|Reaxys:2092210 phenio.json (3,4-dihydroxyphenyl)(hydroxy)acetaldehyde|2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde|3,4-Dihydroxyphenylglycolaldehyde|3,4-dihydroxymandelaldehyde|3,4-dihydroxymandelic aldehyde|3,4-dihydroxyphenylglycolic aldehyde|DHMAL|DHPGALD|DOPEGAL|alpha,3,4-trihydroxybenzeneacetaldehyde|alpha,3,4-trihydroxyphenylacetaldehyde http://purl.obolibrary.org/obo/CHEBI_27852 3_STAR
CHEBI:278547 biolink:ChemicalSubstance sodium azide The sodium salt of hydrogen azide (hydrazoic acid). CAS:26628-22-8|MetaCyc:CPD-23697|PMID:25916484|PMID:28712037|PMID:28849152|PMID:29947902|PMID:30664159|PMID:31088611|PMID:31821925|PMID:32437849|PMID:32844280|PMID:33400299|Pesticides:sodium_azide|Wikipedia:Sodium_azide phenio.json Azoture de sodium|Hydrazoic acid, sodium salt|NaN3|Natriumazid|hydrazoic acid sodium salt http://purl.obolibrary.org/obo/CHEBI_278547 3_STAR
CHEBI:27855 biolink:ChemicalSubstance L-erythro-3-methylmalyl-CoA A hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of L-erythro-3-methylmalic acid. PMID:18065535 phenio.json L-erythro-3-methylmalyl-coenzyme A|beta-Methylmalyl-CoA http://purl.obolibrary.org/obo/CHEBI_27855 3_STAR
CHEBI:27856 biolink:ChemicalSubstance acetamide A member of the class of acetamides that results from the formal condensation of acetic acid with ammonia. Beilstein:1071207|CAS:60-35-5|DrugBank:DB02736|Gmelin:1500|KEGG:C06244|LINCS:LSM-37224|PDBeChem:ACM|PPDB:1641|UM-BBD_compID:c0658 phenio.json ACETAMIDE|Acetamid|Acetamide|Azetamid|CH3CONH2|Essigsaeureamid|Ethanamid|acetamide|acetic acid amide|ethanamide|methanecarboxamide http://purl.obolibrary.org/obo/CHEBI_27856 3_STAR
CHEBI:27858 biolink:ChemicalSubstance precorrin-6Y The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which six methyl groups have been introduced into the tetrapyrrole framework, together with ring contraction and reduction. Beilstein:4901795|CAS:139663-55-1|KEGG:C06319 phenio.json 3,3',3'',3'''-[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acid|3-[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acid|Precorrin 6B|Precorrin 6Y http://purl.obolibrary.org/obo/CHEBI_27858 3_STAR
CHEBI:27859 biolink:ChemicalSubstance S-methyl-5-thio-alpha-D-ribose 1-phosphate KEGG:C04188 phenio.json 5-S-methyl-1-O-phosphono-5-thio-alpha-D-ribofuranose|5-S-methyl-5-thio-alpha-D-ribofuranose 1-(dihydrogen phosphate)|S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate|S-Methyl-5-thio-D-ribose 1-phosphate|S-Methyl-5-thio-alpha-D-ribose 1-phosphate http://purl.obolibrary.org/obo/CHEBI_27859 3_STAR
CHEBI:27865 biolink:ChemicalSubstance fucosterol A 3beta-sterol consisting of stigmastan-3beta-ol with double bonds at positions 5 and 24(28). CAS:17605-67-3|KEGG:C08817|KNApSAcK:C00003653|LIPID_MAPS_instance:LMST01040146|PMID:14560919 phenio.json (24E)-24-n-propylidenecholesterol|(24E)-stigmasta-5,24(28)-dien-3beta-ol|(3beta,24E)-stigmasta-5,24(28)-dien-3-ol|(3beta,24E)-stigmasta-5,24(28)-dien-ol|(E)-stigmasta-5,24(28)-dien-3beta-ol|24E-ethylidene-cholest-5-en-3beta-ol|Fucosterol|fucosterin|trans-24-ethylidenecholesterol http://purl.obolibrary.org/obo/CHEBI_27865 3_STAR
CHEBI:27867 biolink:ChemicalSubstance antheraxanthin An epoxycarotenol that is beta-carotene-3,3'-diol in which one of the one of the endocyclic double bonds has been oxidised to the corresponding epoxide. It is a neutral yellow plant pigment found in Euglenophyta. CAS:640-03-9|HMDB:HMDB0035831|KEGG:C08579|KNApSAcK:C00003760|LIPID_MAPS_instance:LMPR01070262|MetaCyc:CPD1F-131|PMID:18942838|PMID:23820691|PMID:24039824|PMID:24334196|Reaxys:101042 phenio.json (3R,3'S,5'R,6'S)-5',6'-dihydro-5',6'-epoxy-beta,beta-carotene-3,3'-diol|5,6-epoxy-5,6-dihydro-beta,beta-carotene-3,3'-diol|Antheraxanthin|all-trans-antheraxanthin http://purl.obolibrary.org/obo/CHEBI_27867 3_STAR
CHEBI:27868 biolink:ChemicalSubstance 3-oxolauroyl-CoA An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxolauroic acid. HMDB:HMDB0003937|KEGG:C05263 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxododecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3-Oxododecanoyl-CoA|3-ketododecanoyl-CoA|3-ketododecanoyl-coenzyme A|3-ketolauroyl-CoA|3-ketolauroyl-coenzyme A|3-oxododecanoyl-coenzyme A|3-oxolauroyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_27868 3_STAR
CHEBI:27869 biolink:ChemicalSubstance chloroacetic acid A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent. CAS:79-11-8|HMDB:HMDB0031331|KEGG:C06755|KEGG:D07677|LIPID_MAPS_instance:LMFA01090068|MetaCyc:CHLOROACETIC-ACID|PDBeChem:R3W|PMID:12359395|PMID:15033542|PMID:16647117|PMID:17490874|PMID:23103613|PMID:25451595|Pesticides:monochloroacetic%20acid|Reaxys:605438 phenio.json 2-chloro-acetic acid|2-chloro-ethanoic acid|2-chloroacetic acid|Acide chloracetique|Acide chloroacetique|Acide monochloracetique|CAA|Chloroacetic acid|Chloroethanoic acid|Monochloressigsaeure|alpha-chloro-acetic acid|chloracetic acid|chloroacetic acid|monochloroacetic acid|monochloroethanoic acid http://purl.obolibrary.org/obo/CHEBI_27869 3_STAR
CHEBI:27870 biolink:ChemicalSubstance biocytin A monocarboxylic acid amide that results from the formal condensation of the carboxylic acid group of biotin with the N(6)-amino group of L-lysine. CAS:576-19-2|KEGG:C05552|PMID:1384763|PMID:9211279|Patent:US2710298|RESID:AA0117|Reaxys:97197 phenio.json (3aS-(3aalpha,4beta,6aalpha))-N(6)-(5-(hexahydro-2-oxo-1H-thieno(3,4-d)imidazol-4-yl)-1-oxopentyl)-L-lysine|Biocytin|N(6)-D-biotinyl-L-lysine|N(6)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine|N(epsilon)-biotinyl-L-lysine|N-biotinyl-L-lysine|N6-D-Biotinyl-L-lysine|biotinyl-L-lysine|epsilon-N-Biotinyl-L-lysine|epsilon-N-biotinyllysine http://purl.obolibrary.org/obo/CHEBI_27870 3_STAR
CHEBI:27871 biolink:ChemicalSubstance chloroacetaldehyde Acetaldehyde substituted at C-2 by chlorine. Beilstein:1071226|CAS:107-20-0|KEGG:C06754|UM-BBD_compID:c0003 phenio.json 2-Chloro-1-ethanal|2-Chloroethanal|Chloroacetaldehyde|Chloroaldehyde|Monochloroacetaldehyde|chloroacetaldehyde http://purl.obolibrary.org/obo/CHEBI_27871 3_STAR
CHEBI:27877 biolink:ChemicalSubstance N-acetyl-D-glucosaminyl-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanine An N-acetyl-beta-D-glycosaminyl glycopeptide consisting of an N-acetyl-beta-D-glycosaminyl-(1->4)-N-acetylmuramoyl moiety attached to the amino terminus of the tetrapeptide L-alanyl-D-glutamyl-6-carboxy-L-lysyl-D-alanine via an amide linkage. KEGG:C04904 phenio.json N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysyl-D-alanine|beta-GlcNAc-(1->4)-MurNAc-L-Ala-gamma-D-Glu-6-carboxy-L-Lys-D-Ala http://purl.obolibrary.org/obo/CHEBI_27877 3_STAR
CHEBI:2788 biolink:ChemicalSubstance apraclonidine An imidazoline that is 2-amino 4,5-dihydro-1H-imidazoline in which one of the exocyclic amino hydrogens has been replaced by a 4-amino-2,6-dichlorophenyl group. Beilstein:5436106|CAS:66711-21-5|DrugBank:DB00964|Drug_Central:229|KEGG:C07668|KEGG:D07461|PMID:17204928|PMID:17572343|PMID:17580803|PMID:17824139|PMID:18454417|PMID:18645436|PMID:18769292|PMID:19169332|PMID:19253181|PMID:19393510|PMID:19525731|PMID:19606173|PMID:19927485|PMID:20182200|PMID:20399934|PMID:21384091|PMID:21386103|PMID:21406599|PMID:21566530|PMID:21576682|PMID:23808550|PMID:24651238|PMID:25318185|PMID:25709394|PMID:25748642|PMID:25768246|PMID:25859142|PMID:26057409|PMID:26381100|PMID:26832333|PMID:27239603|PMID:27773627|PMID:27841849|PMID:27928279|PMID:27984360|PMID:27990376|PMID:28017248|PMID:28231380|PMID:7891985|PMID:9856229|Patent:US4517199|Wikipedia:Apraclonidine phenio.json 2,6-dichloro-N(1)-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine|4-Aminoclonidine|apraclonidina|apraclonidine|apraclonidinum http://purl.obolibrary.org/obo/CHEBI_2788 3_STAR
CHEBI:27881 biolink:ChemicalSubstance resveratrol A stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups. Beilstein:1912433|CAS:501-36-0|DrugBank:DB02709|KEGG:C03582|LINCS:LSM-2557|PMID:12939617|PMID:16461283 phenio.json 3,4',5-Trihydroxystilbene|5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol|Resveratrol http://purl.obolibrary.org/obo/CHEBI_27881 3_STAR
CHEBI:27882 biolink:ChemicalSubstance (S)-colchicine A colchicine that has (S)-configuration. It is a secondary metabolite, has anti-inflammatory properties and is used to treat gout, crystal-induced joint inflammation, familial Mediterranean fever, and many other conditions. Beilstein:2228813|CAS:64-86-8|Chemspider:5933|DrugBank:DB01394|Drug_Central:726|KEGG:C07592|KEGG:D00570|KNApSAcK:C00002327|LINCS:LSM-5199|MetaCyc:CPD-9785|PDBeChem:LOC|PMID:16188942|PMID:17619668|PMID:18787557|PMID:24530796|PMID:28832953|PMID:28912485|PMID:28959419|PMID:30565859|PMID:32025680|PMID:32426001|PMID:32511763|PMID:32837853|PMID:32865380|PMID:33100196|PMID:33166069|Wikipedia:Colchicine phenio.json (-)-colchicine|(S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide|7alphaH-colchicine|Colchicin|Colchicine|Colchisol|Colcin|Colcrys|Colsaloid|Condylon|Goutnil|Kolkicin|Mitigare|N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide|colchicina|colchicinum http://purl.obolibrary.org/obo/CHEBI_27882 3_STAR
CHEBI:27884 biolink:ChemicalSubstance D-fructofuranose 2-phosphate Beilstein:1650826 phenio.json D-Fructofuranose 2-phosphate|D-Fructose 2-phosphate http://purl.obolibrary.org/obo/CHEBI_27884 3_STAR
CHEBI:27887 biolink:ChemicalSubstance 6-phospho-beta-D-galactoside KEGG:C03847 phenio.json 6-Phospho-beta-D-galactoside|6-phospho-beta-D-galactosides http://purl.obolibrary.org/obo/CHEBI_27887 3_STAR
CHEBI:27889 biolink:ChemicalSubstance lead(0) CAS:7439-92-1|KEGG:C06696|Wikipedia:Lead phenio.json Lead|Pb|Pb(0)|Pbn|lead|lead metal|lead(0) http://purl.obolibrary.org/obo/CHEBI_27889 3_STAR
CHEBI:27891 biolink:ChemicalSubstance S-sulfo-L-cysteine An S-substituted L-cysteine where the S-substituent is specified as a sulfo group. CAS:1637-71-4|KEGG:C05824|PDBeChem:CSU|PMID:20179139|PMID:23392866|PMID:23430915|PMID:24285094|PMID:962465|Reaxys:1726832 phenio.json 3-(sulfosulfanyl)-L-alanine|Cysteine-S-sulfate|Cysteine-S-sulfonate|Cysteinyl-S-sulfonate|Cysteinyl-S-sulfonic acid|L-Cysteine hydrogen sulfate|L-cysteine S-sulfate|S-Sulfo-L-cysteine|S-Sulfocysteine|S-Sulphocysteine|S-sulfocysteine|S-sulpho-L-cysteine http://purl.obolibrary.org/obo/CHEBI_27891 3_STAR
CHEBI:27897 biolink:ChemicalSubstance tryptophan An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3. CAS:54-12-6|Gmelin:4532|KEGG:C00806|KNApSAcK:C00001396|LINCS:LSM-36836|PMID:17439666|PMID:22264337|Reaxys:86196|Wikipedia:Tryptophan phenio.json 2-amino-3-(1H-indol-3-yl)propanoic acid|Htrp|Trp|Tryptophan|W|alpha-Amino-beta-(3-indolyl)-propionic acid|alpha-amino-beta-3-indolepropionic acid|beta-3-indolylalanine|triptofano|tryptophan|tryptophane http://purl.obolibrary.org/obo/CHEBI_27897 3_STAR
CHEBI:27899 biolink:ChemicalSubstance cisplatin A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a cis planar configuration around the central platinum ion. An anticancer drug that interacts with, and forms cross-links between, DNA and proteins, it is used as a neoplasm inhibitor to treat solid tumours, primarily of the testis and ovary. Commonly but incorrectly described as an alkylating agent due to its mechanism of action (but it lacks alkyl groups). CAS:15663-27-1|DrugBank:DB00515|Gmelin:2519|HMDB:HMDB0014656|KEGG:C06911|KEGG:D00275|MetaCyc:CPD0-1392|MolBase:25|PMID:10883661|PMID:12537968|PMID:12831510|PMID:12935404|PMID:16327988|PMID:18472761|PMID:1855275|PMID:23554447|PMID:23604226|PMID:23651576|PMID:28494534|Patent:DE2318020|Patent:DE2329485|Reaxys:11324567|Wikipedia:Cisplatin phenio.json (SP-4-2)-diamminedichloridoplatinum|(SP-4-2)-diamminedichloroplatinum|Briplatin|CDDP|Cismaplat|Cisplatin|Lederplatin|Neoplatin|Peyrone's chloride|Peyrone's salt|Platamine|Platinex|Platinol|Randa|[PtCl2(NH3)2]|cis-DDP|cis-Diamminedichloroplatinum(II)|cis-[PtCl2(NH3)2]|cis-diamminedichloridoplatinum(II)|cis-diamminedichloroplatinum|cis-diamminedichloroplatinum(II)|cis-diammineplatinum(II) dichloride|cis-dichlorodiammineplatinum(II)|cis-platin|cisplatin|cisplatine|cisplatino|cisplatinum http://purl.obolibrary.org/obo/CHEBI_27899 3_STAR
CHEBI:27902 biolink:ChemicalSubstance tetracycline A broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. CAS:60-54-8|DrugBank:DB00759|Drug_Central:2611|Gmelin:1103368|KEGG:C06570|KEGG:D00201|MetaCyc:CPD0-1414|PDBeChem:TAC|PMID:11061623|PMID:11550419|PMID:11744940|PMID:12934399|PMID:14585720|PMID:15825421|PMID:15913752|PMID:16443056|PMID:1650428|PMID:16749547|PMID:17251127|PMID:17260506|PMID:18326855|PMID:18406588|PMID:19032078|PMID:19112759|PMID:19136803|PMID:25286144|PMID:26876942|Patent:US2699054|Patent:US2712517|Patent:US2886595|Patent:US3005023|Patent:US3019173|Patent:US3301899|Reaxys:2230417|VSDB:1739|Wikipedia:Tetracycline phenio.json (4S,4aS,5aS,12aS)-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide|(4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide|Abramycin|Achromycin|Anhydrotetracycline|Deschlorobiomycin|Liquamycin|TETRACYCLINE|Tetracyclin|Tetracycline|Tetrazyklin|Tsiklomitsin|tetracycline|tetracyclinum http://purl.obolibrary.org/obo/CHEBI_27902 3_STAR
CHEBI:27903 biolink:ChemicalSubstance (2,4,5-trichlorophenoxy)acetic acid A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines. CAS:93-76-5|Gmelin:434052|KEGG:C07100|LINCS:LSM-24946|MetaCyc:CPD-10896|PMID:23085749|PMID:23167922|PPDB:1532|Pesticides:2,4,5-t|Reaxys:2055620|Wikipedia:2,4,5-Trichlorophenoxyacetic_acid phenio.json (2,4,5-Trichlorphenoxy)essigsaeure|(2,4,5-trichlorophenoxy)acetic acid|2,4,5-T|2,4,5-Trichlorophenoxyacetic acid|2,4,5-Trichlorphenoxyessigsaeure|Esteron 245|Trioxone http://purl.obolibrary.org/obo/CHEBI_27903 3_STAR
CHEBI:27904 biolink:ChemicalSubstance D-erythrose The D-enantiomer of erythrose. CAS:583-50-6|HMDB:HMDB0002649|KEGG:C01796|KNApSAcK:C00007412|PMID:16901854|PMID:22841585|PMID:23501397|PMID:6229527|PMID:6238947|Reaxys:5805561|Wikipedia:Erythrose phenio.json (2R,3R)-2,3,4-trihydroxybutanal|D-Erythrose|D-erythro-tetrose|D-erythrose http://purl.obolibrary.org/obo/CHEBI_27904 3_STAR
CHEBI:27905 biolink:ChemicalSubstance phenyl hydrogen sulfate An aryl sulfate that is phenol bearing an O-sulfo substituent. CAS:937-34-8|HMDB:HMDB0060015|KEGG:C02180|PMID:12119069|PMID:22770225|PMID:22827565|PMID:25041144|Reaxys:2047161 phenio.json Phenol sulfate|phenyl hydrogen sulfate|phenylsulfate http://purl.obolibrary.org/obo/CHEBI_27905 3_STAR
CHEBI:27907 biolink:ChemicalSubstance alpha-L-rhamnopyranose An L-rhamnopyranose having alpha-configuration at the anomeric centre. GlyGen:G38999IM|GlyTouCan:G38999IM|KEGG:C02476|KNApSAcK:C00001129|PDBeChem:RAM|PMID:19443021|PMID:23795894|PMID:23836132|PMID:25568069|PMID:27091615|PMID:31537530|PMID:36988069|PMID:7521740|Reaxys:1680354 phenio.json 6-deoxy-alpha-L-mannopyranose|WURCS=2.0/1,1,0/[a2211m-1a_1-5]/1/|alpha-6-Deoxy-L-mannose|alpha-L-Mannomethylose|alpha-L-Rha|alpha-L-Rhamnose|alpha-L-Rhap|alpha-L-mannopyranose, 6-deoxy-|alpha-L-rhamnopyranose|alpha-L-rhamnose http://purl.obolibrary.org/obo/CHEBI_27907 3_STAR
CHEBI:27909 biolink:ChemicalSubstance paraldehyde A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6. CAS:123-63-7|Drug_Central:2058|Gmelin:26743|HMDB:HMDB0032456|KEGG:C07834|KEGG:D00705|PMID:13226912|PMID:13265663|PMID:13340987|PMID:17364860|PMID:23118657|Reaxys:80142|Wikipedia:Paraldehyde phenio.json 1,3,5-trimethyl-2,4,6-trioxane|2,4,6-trimethyl-1,3,5-trioxane|2,4,6-trimethyl-s-trioxane|Paral|Paraldehyd|Paraldehyde|acetaldehyde trimer|paraacetaldehyde|paracetaldehyde http://purl.obolibrary.org/obo/CHEBI_27909 3_STAR
CHEBI:27910 biolink:ChemicalSubstance 7-dehydrodesmosterol A 3beta-sterol having the structure of desmosterol with an extra double bond at C-7--C-8. Beilstein:2569831|CAS:1715-86-2|KEGG:C05107|LIPID_MAPS_instance:LMST01010121 phenio.json (3beta)-cholesta-5,7,24-trien-3-ol|24-dehydroprovitamin D3|7-Dehydrodesmosterol|7-dehydrodesmosterol|Cholesta-5,7,24-triene-3beta-ol|cholesta-5,7,24-trien-3beta-ol http://purl.obolibrary.org/obo/CHEBI_27910 3_STAR
CHEBI:27911 biolink:ChemicalSubstance N(8)-acetylspermidine An acetylspermidine that is 1,8-diamino-4-azaoctane in which one of the hydrogens of the amino group attached to C-8 is replaced by an acetyl group. CAS:13431-24-8|KEGG:C01029|MetaCyc:CPD-3462|PMID:12093478|PMID:6473353|PMID:894508|Reaxys:1769094 phenio.json N(8)-monoacetylspermidine|N-{4-[(3-aminopropyl)amino]butyl}acetamide|N8-Acetylspermidine http://purl.obolibrary.org/obo/CHEBI_27911 3_STAR
CHEBI:27913 biolink:ChemicalSubstance L-erythrulose Beilstein:1721314|CAS:533-50-6|Gmelin:278483|KEGG:C02045 phenio.json (3S)-1,3,4-trihydroxybutan-2-one|L-Erythrulose|L-erythrulose|L-glycero-Tetrulose|L-glycero-tetrulose http://purl.obolibrary.org/obo/CHEBI_27913 3_STAR
CHEBI:27914 biolink:ChemicalSubstance hydrogenobyrinic acid a,c-diamide Beilstein:5227717|KEGG:C06503 phenio.json Hydrogenobyrinate a,c diamide|Hydrogenobyrinate diamide|Hydrogenobyrinic acid a,c diamide|Hydrogenobyrinic acid a,c-diamide http://purl.obolibrary.org/obo/CHEBI_27914 3_STAR
CHEBI:27922 biolink:ChemicalSubstance sorbose A ketohexose often involved in the commercial production of vitamin C. It has been found to occur naturally in grapes. KEGG:C01452|KEGG:C08356|PMID:24619085|PMID:24702787|Wikipedia:Sorbose phenio.json Sorbose|xylo-Hexulose http://purl.obolibrary.org/obo/CHEBI_27922 3_STAR
CHEBI:27923 biolink:ChemicalSubstance 2-acyl-sn-glycero-3-phosphoglycerol A glycerophosphoglycerol in which sn-glycerol, acylated at O(2), is linked through a phospho group at O(3) to O(1) of glycerol. phenio.json 2-O-acyl-sn-glycero-3-phosphoglycerol|2-O-acyl-sn-glycero-3-phosphoglycerols|2-acyl-sn-glycero-3-phosphoglycerols http://purl.obolibrary.org/obo/CHEBI_27923 3_STAR
CHEBI:27924 biolink:ChemicalSubstance phenylhydrazine A phenylhydrazine that is the monophenyl derivative of hydrazine. CAS:100-63-0|Gmelin:26849|KEGG:C02304|MetaCyc:PHENYLHYDRAZINE|PDBeChem:PHZ|PMID:19627281|PMID:20585853|PMID:7144447|Reaxys:606080|Wikipedia:Phenylhydrazine phenio.json 1-PHENYLHYDRAZINE|Hydrazinobenzene|PhNHNH2|Phenyldiazane|Phenylhydrazin|Phenylhydrazine|hydrazobenzene|monophenylhydrazine|phenylhydrazine http://purl.obolibrary.org/obo/CHEBI_27924 3_STAR
CHEBI:27926 biolink:ChemicalSubstance beta-D-xyloside KEGG:C02337 phenio.json beta-D-Xyloside|beta-D-xyloside|beta-D-xylosides http://purl.obolibrary.org/obo/CHEBI_27926 3_STAR
CHEBI:27928 biolink:ChemicalSubstance parathion Beilstein:2059093|CAS:56-38-2|KEGG:C06604|PPDB:506|UM-BBD_compID:c0084 phenio.json DNTP|O,O-Diethyl O-p-nitrophenyl phosphorothioate|O,O-diethyl O-(4-nitrophenyl) phosphorothioate|O,O-diethyl O-(4-nitrophenyl) thiophosphate|O,O-diethyl O-(p-nitrophenyl) thiophosphate|Parathion|Thiophos|diethyl p-nitrophenyl thiophosphate|diethyl parathion|ethyl parathion|phosphorothioic acid, O,O-diethyl O-(4-nitrophenyl) ester http://purl.obolibrary.org/obo/CHEBI_27928 3_STAR
CHEBI:27931 biolink:ChemicalSubstance alpha-maltotriose A maltotriose trisaccharide in which the glucose residue at the reducing end is in the pyranose ring form and has alpha configuration at the anomeric carbon atom.. Beilstein:1275025|DrugBank:DB03277|GlyGen:G96370VA|GlyTouCan:G96370VA|KEGG:C01835|PDBeChem:MLR phenio.json Amylotriose|MALTOTRIOSE|Maltotriose|alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp|alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose|alpha-maltotriose http://purl.obolibrary.org/obo/CHEBI_27931 3_STAR
CHEBI:27933 biolink:ChemicalSubstance beta-lactam antibiotic An organonitrogen heterocyclic antibiotic that contains a beta-lactam ring. KEGG:C03438|PMID:19254642|PMID:22594007|Wikipedia:Beta-lactam_antibiotic phenio.json beta-Lactam antibiotics|beta-lactam antibiotics http://purl.obolibrary.org/obo/CHEBI_27933 3_STAR
CHEBI:27937 biolink:ChemicalSubstance cob(II)yrinic acid a,c diamide KEGG:C06504 phenio.json Cob(II)yrinate a,c diamide|Cob(II)yrinate diamide|Cob(II)yrinic acid a,c-diamide http://purl.obolibrary.org/obo/CHEBI_27937 3_STAR
CHEBI:27938 biolink:ChemicalSubstance beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer A D-galactosyl-N-acetyl-D-glucosaminyl-D-galactosyl-D-glucosylceramide containing beta-linkages exclusively. KEGG:C06136|KEGG:G00124|LIPID_MAPS_instance:LMSP0503AB00|PMID:10695716|PMID:11854201|PMID:16341241|PMID:1724444|PMID:17855742|PMID:19221437|PMID:21174147|PMID:22638862|PMID:2430018|PMID:2448252|PMID:2457654|PMID:25748038|PMID:28188832|PMID:2917140|PMID:6171919|PMID:7186222|PMID:7334007|PMID:7494493|PMID:7691279|PMID:7693874|PMID:7806377|PMID:7927723|PMID:8410057|PMID:8799726|PMID:9209156|PMID:9582303 phenio.json (Gal)2 (GalNAc)1 (Glc)1 (Cer)1|GA1|Gal-beta1->3GalNAc-beta1->4Gal-beta1->4Glc-beta1->1'Cer|Gal-beta1->3GalNAc-beta1->4LacCer|Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta1-1'Cer|Ganglio-N-tetraosylceramide|Ganglioside GA1|Gg4Cer|GgOse4Cer|N-[(2S,3R,4E)-1-{[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide|a ganglioside GA1 (d18:1(4E))|asialo GM1|asialo GM1 glycolipid|asialo-GM1 ganglioside|beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer|beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer|beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramides http://purl.obolibrary.org/obo/CHEBI_27938 3_STAR
CHEBI:27941 biolink:ChemicalSubstance pullulan phenio.json http://purl.obolibrary.org/obo/CHEBI_27941 1_STAR
CHEBI:27945 biolink:ChemicalSubstance isoflavanone Isoflavone in which the double bond between positions 2 and 3 has been reduced to a single bond. Beilstein:1621056|CAS:4737-27-3|KEGG:C01927 phenio.json 2,3-dihydro-3-phenyl-4H-1-benzopyran-4-one|3-phenyl-2,3-dihydro-4H-chromen-4-one|3-phenylchroman-4-one|Isoflavanone http://purl.obolibrary.org/obo/CHEBI_27945 3_STAR
CHEBI:27947 biolink:ChemicalSubstance D-histidine An optically active form of histidine having D-configuration. CAS:351-50-8|Gmelin:83043|KEGG:C06419|MetaCyc:CPD-12151|PDBeChem:DHI|PMID:15744050|PMID:24852066|PMID:80988|Reaxys:84089|YMDB:YMDB00794 phenio.json (2R)-2-amino-3-(1H-imidazol-4-yl)propanoic acid|(R)-alpha-Amino-1H-imidazole-4-propionic acid|D-HISTIDINE|D-Histidin|D-Histidine|D-histidine|DHI http://purl.obolibrary.org/obo/CHEBI_27947 3_STAR
CHEBI:27951 biolink:ChemicalSubstance (R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid A 2-oxo monocarboxylic acid that is 2-oxobutanoic acid which is substituted by a phosphonooxy group at position 4 and a hydroxy group at the 3-pro-R position. KEGG:C06054 phenio.json (3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate|(3R)-3-hydroxy-2-oxo-4-(phosphonooxy)butanoic acid|2-Oxo-3-hydroxy-4-phosphobutanoate|alpha-Keto-3-hydroxy-4-phosphobutyrate http://purl.obolibrary.org/obo/CHEBI_27951 3_STAR
CHEBI:27953 biolink:ChemicalSubstance physostigmine Beilstein:91230|CAS:57-47-6|CAS:57-64-7|DrugBank:DB00981|Drug_Central:2159|KEGG:C06535|KEGG:D00196|KNApSAcK:C00001757|LINCS:LSM-2558 phenio.json (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl methylcarbamate|Antilirium|Eserine|Physostigmine|Physostol http://purl.obolibrary.org/obo/CHEBI_27953 3_STAR
CHEBI:27955 biolink:ChemicalSubstance streptamine An amino cyclitol consisting of scyllo-inositol with the hydroxy groups at positions 1 and 3 replaced by unsubstituted amino groups. Beilstein:26714|CAS:488-52-8|KEGG:C01854|Reaxys:2802452 phenio.json (1R,2r,3S,4R,5s,6S)-4,6-diaminocyclohexane-1,2,3,5-tetrol|1,3-diamino-1,3-dideoxy-scyllo-inositol|Streptamine http://purl.obolibrary.org/obo/CHEBI_27955 3_STAR
CHEBI:27956 biolink:ChemicalSubstance L-dehydroascorbic acid Dehydroascorbic acid having the L-configuration. CAS:490-83-5|Gmelin:51038|HMDB:HMDB0001264|KEGG:C05422|KNApSAcK:C00007380|PMID:15013385|PMID:18813862|PMID:23543734|PMID:9506998|Reaxys:84277|Wikipedia:Dehydroascorbic_acid phenio.json (5R)-5-[(1S)-1,2-dihydroxyethyl]furan-2,3,4(5H)-trione|DHAA|Dehydroascorbic acid|L-Dehydroascorbate|L-Dehydroascorbic acid|L-threo-2,3-hexodiulosonic acid, gamma-lactone|L-threo-hexo-2,3-diulosono-1,4-lactone|dehydro-L-ascorbic acid|dehydroascorbic acid|oxidized ascorbic acid|oxidized vitamin C http://purl.obolibrary.org/obo/CHEBI_27956 3_STAR
CHEBI:27957 biolink:ChemicalSubstance hydroxyacetone A propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group. CAS:116-09-6|HMDB:HMDB0006961|KEGG:C05235|KNApSAcK:C00019558|MetaCyc:ACETOL|PMID:23363738|Reaxys:605368 phenio.json 1-Hydroxy-2-propanone|1-hydroxy-2-propanone|1-hydroxypropan-2-one|2-Ketopropyl alcohol|2-ketopropyl alcohol|Acetol|Acetone alcohol|Hydroxyacetone|Methylketol|Pyruvic alcohol|Pyruvinalcohol|hydroxyacetone http://purl.obolibrary.org/obo/CHEBI_27957 3_STAR
CHEBI:27958 biolink:ChemicalSubstance cocaine A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. Beilstein:3621912|CAS:50-36-2|DrugBank:DB00907|Drug_Central:723|Gmelin:170209|KEGG:C01416|KEGG:D00110|KNApSAcK:C00002285|MetaCyc:CPD-9776|PDBeChem:COC|PMID:11416615|PMID:11853120|PMID:14962054|PMID:17551070|PMID:19536276|PMID:21150772|PMID:25303034|Reaxys:5291037|Reaxys:91034|Wikipedia:Cocaine phenio.json (-)-cocaine|(1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-yl benzoate|2-methyl-3beta-hydroxy-1alphaH,5alphaH-tropane-2beta-carboxylate benzoate (ester)|Benzoylmethylecgonine|COCAINE|Cocain|Cocaina|Cocaine|Kokain|Neurocaine|[1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid, methyl ester|beta-Cocain|cocainum|l-Cocain|l-cocaine|methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate|methyl [1R-(exo,exo)]-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate|methyl benzoylecgonine http://purl.obolibrary.org/obo/CHEBI_27958 3_STAR
CHEBI:27961 biolink:ChemicalSubstance 1,8-cineole Beilstein:105109|Beilstein:5239941|CAS:470-82-6|DrugBank:DB03852|Gmelin:131076|KEGG:C09844|KEGG:D04115|KNApSAcK:C00000136|PDBeChem:CNL|Wikipedia:Eucalyptol phenio.json 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE|1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane|1,8-Cineol|1,8-Cineole|1,8-cineole|1,8-epoxy-p-menthane|1,8-oxido-p-menthane|Zineol|cajeputol|cineole|eucalyptol http://purl.obolibrary.org/obo/CHEBI_27961 3_STAR
CHEBI:27963 biolink:ChemicalSubstance (Kdo)2-lipid A (E. coli) Beilstein:8896076|KEGG:C06026|LIPID_MAPS_instance:LMSL02000001 phenio.json (Kdo)2-lipid A|3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-2-[(3R)-3-(dodecanoyloxy)tetradecanamido]-4-O-phosphono-3-O-[(3R)-3-(tetradecanoyloxy)tetradecanoyl]-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-alpha-D-glucopyranose|Di[3-deoxy-D-manno-octulosonyl]-lipid A|KDO2-lipid (A) http://purl.obolibrary.org/obo/CHEBI_27963 3_STAR
CHEBI:27964 biolink:ChemicalSubstance 5-methyldeoxycytidine 5'-(trihydrogen diphosphate) KEGG:C04187 phenio.json 2'-deoxy-5-methylcytidine 5'-(trihydrogen diphosphate)|5-Methyldeoxycytidine diphosphate|5-methyldeoxycytidine diphosphate http://purl.obolibrary.org/obo/CHEBI_27964 3_STAR
CHEBI:27967 biolink:ChemicalSubstance 11beta-hydroxyandrost-4-ene-3,17-dione CAS:382-44-5|KEGG:C05284|LIPID_MAPS_instance:LMST02020066 phenio.json 11beta-Hydroxy-4-androstene-3,17-dione|11beta-Hydroxyandrost-4-ene-3,17-dione|11beta-hydroxyandrost-4-ene-3,17-dione|4-Androsten-11beta-ol-3,17-dione|4-androsten-11beta-ol-3,17-dione|Androst-4-ene-3,17-dione-11beta-ol http://purl.obolibrary.org/obo/CHEBI_27967 3_STAR
CHEBI:27972 biolink:ChemicalSubstance 2-deoxy-D-gluc-5-ulosonic acid KEGG:C06892 phenio.json 2-Deoxy-5-keto-D-gluconic acid|2-deoxy-D-threo-hex-5-ulosonic acid|5-dehydro-2-deoxy-D-gluconic acid|DKH http://purl.obolibrary.org/obo/CHEBI_27972 3_STAR
CHEBI:27973 biolink:ChemicalSubstance D-arabino-hex-3-ulose 6-phosphate CAS:53010-97-2|KEGG:C06019 phenio.json 6-O-phosphono-D-arabino-hex-3-ulose|A-3-H-6-P|Arabino-3-hexulose-6-phosphate|D-Arabino-3-hexulose, 6-(dihydrogen phosphate)|D-arabino-3-Hexulose 6-phosphate|D-arabino-6-Phospho-hex-3-ulose|D-arabino-hex-3-ulose 6-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_27973 3_STAR
CHEBI:27974 biolink:ChemicalSubstance estriol A 3-hydroxy steroid that is estra-1,3,5(10)-trien-3-ol substituted by additional hydroxy groups at positions 16 and 17 (16alpha,17beta-stereoisomer). CAS:50-27-1|DrugBank:DB04573|Drug_Central:3187|HMDB:HMDB0000153|KEGG:C05141|KEGG:D00185|LINCS:LSM-2368|LIPID_MAPS_instance:LMST02010003|MetaCyc:ESTRIOL|PDBeChem:ESL|PMID:11133265|PMID:23777262|PMID:9373313|Reaxys:2508172|VSDB:1907|Wikipedia:Estriol phenio.json (16alpha,17beta)-estra-1,3,5(10)-triene-3,16,17-triol|1,3,5(10)-Estratriene-3,16-alpha,17beta-triol|16alpha,17beta-estriol|16alpha-hydroxyestradiol|3,16alpha,17beta-trihydroxy-Delta(1,3,5)-estratriene|ESTRIOL|Estriel|Estriol|Oestriol|estra-1,3,5(10)-triene-3,16alpha,17beta-triol|oestriol|trihydroxyestrin http://purl.obolibrary.org/obo/CHEBI_27974 3_STAR
CHEBI:27975 biolink:ChemicalSubstance L-glyceraldehyde The L-enantiomer of glyceraldehyde. CAS:497-09-6|ECMDB:ECMDB20580|KEGG:C02426|Reaxys:1720475 phenio.json (2S)-2,3-dihydroxypropanal|(S)-2,3-dihydroxypropanal|L-(-)-glyceraldehyde|L-2,3-Dihydroxypropanal|L-2,3-Dihydroxypropionaldehyde|L-Aldotriose|L-Glyceraldehyde|L-Glycerose|L-glyceraldehyde http://purl.obolibrary.org/obo/CHEBI_27975 3_STAR
CHEBI:27978 biolink:ChemicalSubstance 3,4-dihydroxyphenylacetaldehyde A phenylacetaldehyde in which the 3 and 4 positions of the phenyl group are substituted by hydroxy groups. CAS:5707-55-1|FooDB:FDB023227|HMDB:HMDB0003791|KEGG:C04043|KNApSAcK:C00052036|MetaCyc:34-DIHYDROXYPHENYLACETALDEHYDE|PMID:12729575|PMID:14556942|PMID:17379813|PMID:19537779|Reaxys:1941234|Wikipedia:3,4-Dihydroxyphenylacetaldehyde phenio.json (3,4-dihydroxyphenyl)acetaldehyde|2-(3,4-dihydroxyphenyl)ethanal|3,4-Dihydroxyphenylacetaldehyde|3,4-dihydroxyphenylacetaldehyde|DOPAL|Protocatechuatealdehyde http://purl.obolibrary.org/obo/CHEBI_27978 3_STAR
CHEBI:27979 biolink:ChemicalSubstance all-cis-icosa-8,11,14-trienoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of all-cis-icosa-8,11,14-trienoic acid. HMDB:HMDB0003947|KEGG:C03595|LIPID_MAPS_instance:LMFA07050011|PMID:3426550 phenio.json (8Z,11Z,14Z)-Icosatrienoyl-CoA|(8Z,11Z,14Z)-eicosatrienoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|8,11,14-Eicosatrienoyl-CoA|8,11,14-Icosatrienoyl-CoA|8Z,11Z,14Z-eicosatrienoyl-CoA|8Z,11Z,14Z-icosatrienoyl-CoA|CoA[20:3(8Z,11Z,14Z)]|all-cis-eicosa-8,11,14-trienoyl-CoA|all-cis-eicosa-8,11,14-trienoyl-coenzyme A|all-cis-icosa-8,11,14-trienoyl-CoA|all-cis-icosa-8,11,14-trienoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_27979 3_STAR
CHEBI:27983 biolink:ChemicalSubstance 4,6-diamino-5-formamidopyrimidine A member of the class of aminopyrimidines that is 4,6-diaminopyrimidine bearing an additional formamido substituent at position 5. A DNA lesion formed when DNA exposed to ionising radiation. CAS:5122-36-1|HMDB:HMDB0004816|KEGG:C06502|PMID:23685671|Reaxys:149617 phenio.json 4,6-Diamino-5-(formylamino)pyrimidine|4,6-Diamino-5-N-formamidopyrimidine|4,6-Diamino-5-formamidopyrimidine|4,6-Diamino-5-pyrimidinylformamide|FAPY|FAPy-adenine|Fapyade|N-(4,6-diaminopyrimidin-5-yl)formamide http://purl.obolibrary.org/obo/CHEBI_27983 3_STAR
CHEBI:27991 biolink:ChemicalSubstance benzonitrile A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group. Beilstein:506893|CAS:100-47-0|Gmelin:2653|KEGG:C09814|MetaCyc:CPD-15582|PMID:24129580|UM-BBD_compID:c0367|Wikipedia:Benzonitrile phenio.json Benzonitrile|C6H5-CN|Cyanobenzene|Phenyl cyanide|benzenenitrile|benzoic acid nitrile|benzonitrile|phenyl cyanide http://purl.obolibrary.org/obo/CHEBI_27991 3_STAR
CHEBI:27993 biolink:ChemicalSubstance 1,2-di-O-sinapoyl-beta-D-glucose An O-acyl carbohydrate that is beta-D-glucose carrying sinapoyl groups at the 1- and 2-positions. KEGG:C04275|Reaxys:6993672 phenio.json 1,2-Bis-O-sinapoyl-beta-D-glucoside|1,2-bis-O-sinapoyl-beta-D-glucoside|1,2-di-O-sinapoyl beta-D-glucose|1-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]-beta-D-glucopyranose|sinapoyl 2-O-sinapoyl-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_27993 3_STAR
CHEBI:27994 biolink:ChemicalSubstance luteolin 7-O-beta-D-glucoside A glycosyloxyflavone that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. CAS:5373-11-5|HMDB:HMDB0035588|KEGG:C03951|KNApSAcK:C00004266|LIPID_MAPS_instance:LMPK12110642|MetaCyc:LUTEOLIN-7-O-BETA-D-GLUCOSIDE|PMID:20127879|PMID:22741463|PMID:23019878|PMID:7875536|Patent:CN101474196|Patent:US2011207684|Reaxys:66982|Wikipedia:Cynaroside phenio.json 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside|2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one|7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(3,4-dihydroxyphenyl)-4H-chromen-4-one|7-Glucoluteolin|7-Glucosylluteolin|7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone|Cinaroside|Cynaroside|Luteolin 7-O-beta-D-glucoside|Luteolin 7-O-glucopyranoside|Luteolin 7-O-glucoside|Luteolin 7-glucoside|Luteolin 7-monoglucoside|Luteolin-7-glucoside|Luteoloside http://purl.obolibrary.org/obo/CHEBI_27994 3_STAR
CHEBI:27996 biolink:ChemicalSubstance (R)-4-hydroxymandelate KEGG:C05343 phenio.json (2R)-hydroxy(4-hydroxyphenyl)acetate http://purl.obolibrary.org/obo/CHEBI_27996 3_STAR
CHEBI:27997 biolink:ChemicalSubstance elaidic acid A 9-octadecenoic acid and the trans-isomer of oleic acid. CAS:112-79-8|Gmelin:171874|HMDB:HMDB0000573|KEGG:C01712|LIPID_MAPS_instance:LMFA01030073|PDBeChem:ELA|PMID:10342226|PMID:23601386|PMID:24800387|PMID:8018112|PMID:881948|Reaxys:1726543|Wikipedia:Elaidic_acid phenio.json (9E)-Octadecenoic acid|(9E)-octadec-9-enoic acid|(E)-Oleic acid|9-OCTADECENOIC ACID|9-Octadecenoic acid, (E)-|9-trans-Octadecenoic acid|Acide elaidique|D9-trans-Octadecenoic acid|Elaidic acid|Elaidinsaeure|Elaidinsaure|trans-9-Octadecenoic acid|trans-D9-Octadecenoic acid|trans-Delta(9)-octadecenoic acid|trans-Elaidic acid|trans-Oleic acid http://purl.obolibrary.org/obo/CHEBI_27997 3_STAR
CHEBI:27998 biolink:ChemicalSubstance tungsten CAS:7440-33-7|Gmelin:16317|KEGG:C00753|PDBeChem:W|WebElements:W phenio.json 74W|Tungsten|W|Wolfram|tungsten|tungsten atom|tungstene|tungsteno|volframio|wolfram|wolframio|wolframium http://purl.obolibrary.org/obo/CHEBI_27998 3_STAR
CHEBI:27999 biolink:ChemicalSubstance tolbutamide An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position. CAS:64-77-7|DrugBank:DB01124|Drug_Central:2696|KEGG:C07148|KEGG:D00380|LINCS:LSM-3907|PMID:11835228|PMID:11840346|PMID:11911494|PMID:12042355|PMID:12355256|PMID:15207658|PMID:15317941|PMID:15620874|PMID:15655519|PMID:16290322|PMID:16426753|PMID:19059420|PMID:20880646|PMID:21178111|PMID:21193530|PMID:21471135|PMID:21535124|PMID:21712613|PMID:21757329|PMID:21827497|PMID:21831467|PMID:22028182|PMID:22079696|Patent:DE1066575|Patent:GB808071|Patent:US2968158|Reaxys:1984428|Wikipedia:Tolbutamide phenio.json 1-Butyl-3-(p-methylphenylsulfonyl)urea|1-Butyl-3-(p-tolylsulfonyl)urea|1-Butyl-3-tosylurea|1-p-Toluenesulfonyl-3-butylurea|3-(p-Tolyl-4-sulfonyl)-1-butylurea|N-(4-Methylbenzenesulfonyl)-N'-butylurea|N-(4-Methylphenylsulfonyl)-N'-butylurea|N-(Sulfonyl-p-methylbenzene)-N'-N-butylurea|N-(p-Methylbenzenesulfonyl)-N'-butylurea|N-Butyl-N'-(4-methylphenylsulfonyl)urea|N-Butyl-N'-(p-tolylsulfonyl)urea|N-Butyl-N'-p-toluenesulfonylurea|N-[(butylamino)carbonyl]-4-methylbenzenesulfonamide|N-n-Butyl-N'-tosylurea|Orinase (TN)|Tolbutamide|Tolylsulfonylbutylurea|tolbutamida|tolbutamide|tolbutamidum http://purl.obolibrary.org/obo/CHEBI_27999 3_STAR
CHEBI:28 biolink:ChemicalSubstance (R)-linalool The (R)-enantiomer of linalool. Beilstein:4290982|CAS:126-91-0|KEGG:C11388|KNApSAcK:C00003047|LIPID_MAPS_instance:LMPR0102010013|PMID:18579302|Reaxys:1721487 phenio.json (-)-3,7-dimethyl-1,6-octadien-3-ol|(-)-Linalool|(3R)-3,7-dimethyl-1,6-octadien-3-ol|(3R)-3,7-dimethylocta-1,6-dien-3-ol|(3R)-Linalool|(R)-(-)-Linalool|(R)-3,7-dimethyl-1,6-octadien-3-ol|(R)-linalool http://purl.obolibrary.org/obo/CHEBI_28 3_STAR
CHEBI:28000 biolink:ChemicalSubstance N-acetyl-D-hexosaminide KEGG:C03879 phenio.json N-Acetyl-beta-D-hexosaminide|N-acetyl-D-hexosaminides http://purl.obolibrary.org/obo/CHEBI_28000 3_STAR
CHEBI:28001 biolink:ChemicalSubstance vancomycin A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile. CAS:1404-90-6|DrugBank:DB00512|Drug_Central:2807|KEGG:C06689|KEGG:D00212|KNApSAcK:C00016052|MetaCyc:CPD-12245|PDBeChem:VAN|PMID:11028184|PMID:11408222|PMID:11688538|PMID:11864951|PMID:11886013|PMID:11980329|PMID:12019070|PMID:12541895|PMID:12852813|PMID:13370625|PMID:13521912|PMID:14605050|PMID:14702667|PMID:15047516|PMID:15081082|PMID:15465645|PMID:15590714|PMID:15792257|PMID:16183423|PMID:16184232|PMID:16420976|PMID:16596002|PMID:16720708|PMID:17027219|PMID:17184835|PMID:17299012|PMID:17594206|PMID:18030187|PMID:18159039|PMID:18162343|PMID:18260149|PMID:18361944|PMID:18462092|PMID:18582342|PMID:18817166|PMID:18983037|PMID:19107100|PMID:19830166|PMID:20956604|PMID:21109901|PMID:21458937|PMID:21466775|PMID:21664803|PMID:21719238|PMID:21951032|PMID:22011388|PMID:22015328|PMID:22027450|PMID:22124537|Patent:US3067099|Reaxys:3132|Wikipedia:Vancomycin phenio.json (1S,2R,18R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-48-[2-O-(3-amino-2,3,6-trideoxy-3-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-5,15-dichloro-2,18,32,35,37-pentahydroxy-19-[(N-methyl-D-leucyl)amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2(3,6).2(14,17).1(8,12).1(29,33).0(10,25).0(34,39)]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid|(2.2Sp,3.5Sa,2.6Sp)-O(4.2),C(3.4):C(5.4),O(4.6):C(3.5),C(2.7)-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-beta-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-beta-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine]|(3S,6R,7R,11R,23S,26S,30aS,36R,38aR)-44-[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyloxy]-3-(carbamoylmethyl)-10,19-dichloro-2,3,4,5,6,7,23,25,26,36,37,38,38a-tetradecahydro-7,22,28,30,32-pentahydroxy-6-(N-methyl-D-leucyl)-2,5,24,38,39-pentaoxo-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)[1,6,9]oxadiazacyclohexadecino[4,5-m][10,2,16]benzoxadiazacyclotetracosine-26-carboxylic acid|VANCOMYCIN|Vancocin|Vancomycin|vancomicin|vancomicina|vancomycin|vancomycine|vancomycinum http://purl.obolibrary.org/obo/CHEBI_28001 3_STAR
CHEBI:28002 biolink:ChemicalSubstance (3Z,6Z)-dodecadienoyl-CoA A medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cis,cis-dodeca-3,6-dienoic acid. HMDB:HMDB0003952|KEGG:C05280 phenio.json (3Z,6Z)-dodecadienoyl-CoA(4-)cis,cis-dodeca-3,6-dienoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3Z,6Z)-dodeca-3,6-dienoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|cis,cis-3,6-Dodecadienoyl-CoA|cis,cis-3,6-dodecadienoyl-coenzyme A|cis,cis-dodeca-3,6-dienoyl-CoA|cis,cis-dodeca-3,6-dienoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28002 3_STAR
CHEBI:28009 biolink:ChemicalSubstance N-acetyl-beta-D-glucosamine An N-acetyl-D-glucosamine having beta-configuration at the anomeric centre. CAS:7512-17-6|Drug_Central:4615|GlyGen:G49108TO|GlyTouCan:G49108TO|Gmelin:721281|HMDB:HMDB0000803|KEGG:C03878|PDB:2FIK|PDB:2Q86|PDBeChem:NAG|PMID:15692805|PMID:16537470|PMID:17991151|PMID:18295796|PMID:19443021|PMID:25568069|PMID:31537530|PMID:32568414|PMID:7521740|Reaxys:1247660 phenio.json 2-(acetylamino)-2-deoxy-beta-D-glucopyranose|2-Acetamido-2-deoxy-D-glucose|2-Acetylamino-2-deoxy-D-glucose|2-acetamido-2-deoxy-beta-D-glucopyranose|2-acetamido-2-deoxyhexopyranose|Acetylglucosamine|GlcNAc-beta|N-Acetyl-D-glucosamine|N-Acetyl-beta-D-glucosamine|N-acetyl-beta-D-glucosamine|N-acetylglucosamine|WURCS=2.0/1,1,0/[a2122h-1b_1-5_2*NCC/3=O]/1/|beta-D-glucopyranose, 2-(acetylamino)-2-deoxy-|betaGlcNAc http://purl.obolibrary.org/obo/CHEBI_28009 3_STAR
CHEBI:28010 biolink:ChemicalSubstance 10-formyltetrahydrofolyl polyglutamate macromolecule A macromolecule consisting of 10-formyltetrahydrofolic acid with an arbitrary number of glutamate residues attached as a polypeptide to the single existent one. KEGG:C05929 phenio.json 10-Formyl-THF-polyglutamate|10-Formyltetrahydrofolylpolyglutamate|10-formyltetrahydrofolyl polyglutamate http://purl.obolibrary.org/obo/CHEBI_28010 3_STAR
CHEBI:28013 biolink:ChemicalSubstance beta-D-fructofuranose 1,6-bisphosphate A D-fructofuranose 1,6-bisphosphate with a beta-configuration at the anomeric position. CAS:488-69-7|DrugBank:DB04551|KEGG:C05378|PDBeChem:FBP|Reaxys:1690982 phenio.json 1,6-di-O-phosphono-beta-D-fructofuranose|BETA FRUCTOSE 1,6-DIPHOSPHATE|Fosfructose|beta-D-Fructose 1,6-bisphosphate|beta-D-fructofuranose 1,6-bis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_28013 3_STAR
CHEBI:28014 biolink:ChemicalSubstance D-idose CAS:5978-95-0|GlyTouCan:G97146EI|KEGG:C06466 phenio.json D-Ido|D-Idose|D-ido-Hexose|D-ido-hexose|D-idose|WURCS=2.0/1,1,0/[o1212h]/1/ http://purl.obolibrary.org/obo/CHEBI_28014 3_STAR
CHEBI:28017 biolink:ChemicalSubstance starch The most important reserve polysaccharide found in plants. It is a glucan consisting of amylose and amylopectin. CAS:9005-25-8|KEGG:C00369|KEGG:D06507|KEGG:G10545|Wikipedia:Starch phenio.json Staerke|Starch|amidon|amylum http://purl.obolibrary.org/obo/CHEBI_28017 3_STAR
CHEBI:28018 biolink:ChemicalSubstance 3,3',4',5,7-pentahydroxy-8-methoxyflavone A monomethoxyflavone that is the 8-O-methyl derivative of gossypetin . KEGG:C04527|KNApSAcK:C00004724|MetaCyc:33457-PENTAHYDROXY-8-METHOXYFLAVON phenio.json 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-methoxy-4H-chromen-4-one|3,3',4',5,7-Pentahydroxy-8-methoxyflavone|3,3',4',5,7-pentahydroxy-8-methoxyflavone|8-methoxyquercetin|corniculatusin http://purl.obolibrary.org/obo/CHEBI_28018 3_STAR
CHEBI:28024 biolink:ChemicalSubstance cyanic acid Beilstein:1732479|CAS:420-05-3|Chemspider:525|Gmelin:839|KEGG:C01417|PDBeChem:0NM|PMID:12573832|PMID:12590561|PMID:16743625|PMID:16744204|PMID:19624192|PMID:20261791|PMID:20261792|PMID:20340793|PMID:237898|PMID:4368066|PMID:6493050 phenio.json Cyanic acid|Cyansaeure|HOCN|Zyansaeure|[C(N)OH]|acide cyanique|acido cianico|acidum cyanicum|hydrogen nitridooxocarbonate|hydroxidonitridocarbon|nitridooxocarbonic acid http://purl.obolibrary.org/obo/CHEBI_28024 3_STAR
CHEBI:28026 biolink:ChemicalSubstance plastoquinol-9 A plastoquinol in which an all-E nonaprenyl group is attached to position 5 of 2,3-dimethylhydroquinone. CAS:3819-09-8|KEGG:C16695|Reaxys:11124806 phenio.json (all-E)-2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatricontanonaenyl)-1,4-benzenediol|2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]benzene-1,4-diol|plastoquinol|plastoquinol A|plastoquinol-9 http://purl.obolibrary.org/obo/CHEBI_28026 3_STAR
CHEBI:28032 biolink:ChemicalSubstance 4'-hydroxyacetophenone A monohydroxyacetophenone carrying a hydroxy substituent at position 4'. CAS:99-93-4|KEGG:C10700|KNApSAcK:C00002698|MetaCyc:CPD-10598|PDBeChem:AC6|PMID:21848266|PMID:22484946|PMID:23014895|PMID:23252272|PMID:23738459|Reaxys:774355|UM-BBD_compID:c0694|Wikipedia:Piceol phenio.json (4-Hydroxyphenyl)ethan-1-one|(4-hydroxyphenyl)ethan-1-one|1-(4-hydroxyphenyl)ethanone|4'-Hydroxyacetophenone|4'-hydroxyacetophenone|4-Acetylphenol|4-Hydroxyacetophenone|Methyl p-hydroxyphenyl ketone|p-Hydroxyacetophenone|p-Hydroxyphenyl methyl ketone|para-Hydroxyacetophenone http://purl.obolibrary.org/obo/CHEBI_28032 3_STAR
CHEBI:28034 biolink:ChemicalSubstance beta-D-galactoside Any D-galactoside having beta-configuration at its anomeric centre. KEGG:C00602 phenio.json a beta-D-galactoside|beta-D-Galactoside|beta-D-galactopyranoside|beta-D-galactosides http://purl.obolibrary.org/obo/CHEBI_28034 3_STAR
CHEBI:28037 biolink:ChemicalSubstance N-acetyl-D-galactosamine The D-enantiomer of N-acetylgalactosamine. CAS:14215-68-0|CAS:1811-31-0|GlyGen:G27025MB|GlyTouCan:G27025MB|KEGG:C01132|PMID:1429037|PMID:15267227|PMID:15864747|PMID:17905738|PMID:21512230|PMID:25730476|PMID:26788060|PMID:26854615|PMID:2860067|PMID:7688662|Reaxys:1429037 phenio.json 2-Acetamido-2-deoxy-D-galactose|2-acetamido-2-deoxy-D-galactopyranose|D-GalNAc|GalNAc|N-Acetyl-D-chondrosamine|N-Acetyl-D-galactosamine|N-acetyl-D-galactosamine|WURCS=2.0/1,1,0/[a2112h-1x_1-5_2*NCC/3=O]/1/ http://purl.obolibrary.org/obo/CHEBI_28037 3_STAR
CHEBI:28044 biolink:ChemicalSubstance phenylalanine An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. CAS:150-30-1|Gmelin:50836|KEGG:C02057|PMID:17439666|PMID:22264337|Reaxys:1910407|Wikipedia:Phenylalanine phenio.json 2-amino-3-phenylpropanoic acid|DL-Phenylalanine|F|PHE|Phenylalanin|Phenylalanine|alpha-Amino-beta-phenylpropionic acid|fenilalanina|phenylalanine http://purl.obolibrary.org/obo/CHEBI_28044 3_STAR
CHEBI:28045 biolink:ChemicalSubstance (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid A 4-oxo monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl group. Beilstein:3263762|CAS:1130-49-0|KEGG:C07159|PMID:6848481|Reaxys:3263762 phenio.json (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid|2-Oxo-delta(3)-4,5,5-trimethylcyclopentenylacetic acid|2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetic acid|Otmcpa http://purl.obolibrary.org/obo/CHEBI_28045 3_STAR
CHEBI:28050 biolink:ChemicalSubstance homocarnosine A histidine derivative that is histidine in which one of the hydrogens attached to the alpha-amino group has been replaced by a 4-aminobutanoyl group. Reaxys:11612459 phenio.json N-(4-aminobutanoyl)histidine|N-(4-aminobutyryl)histidine|gamma-Aminobutyryl histidine http://purl.obolibrary.org/obo/CHEBI_28050 3_STAR
CHEBI:28052 biolink:ChemicalSubstance acetohexamide An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is replaced by a p-acetylphenylsulfonyl group, while a hydrogen attached to the other nitrogen is replaced by a cyclohexyl group. CAS:968-81-0|DrugBank:DB00414|Drug_Central:57|HMDB:HMDB0014558|KEGG:C06806|KEGG:D00219|LINCS:LSM-5638|PMID:13945057|PMID:2699749|PMID:8070312|PMID:910864|Reaxys:2225115|Wikipedia:Acetohexamide phenio.json 1-((p-Acetylphenyl)sulfonyl)-3-cyclohexylurea|4-Acetyl-N-((cyclohexylamino)carbonyl)benzenesulfonamide|4-acetyl-N-(cyclohexylcarbamoyl)benzene-1-sulfonamide|Dymelor|N-(p-Acetylphenylsulfonyl)-N'-cyclohexylurea|acetohexamida|acetohexamide|acetohexamidum http://purl.obolibrary.org/obo/CHEBI_28052 3_STAR
CHEBI:28053 biolink:ChemicalSubstance melibiose A glycosylglucose formed by an alpha-(1->6)-linkage between D-galactose and D-glucose. CAS:585-99-9|GlyGen:G09165XB|GlyTouCan:G09165XB|Gmelin:887780|HMDB:HMDB0000048|KEGG:C05402|KEGG:G01275|KNApSAcK:C00001142|MetaCyc:MELIBIOSE|PMID:12797744|PMID:17006649|PMID:17724458|PMID:19846069|PMID:19913595|PMID:27577255|PMID:27794607|PMID:28453942|PMID:3290105|PMID:718021|PMID:7524207|Reaxys:1292781|Wikipedia:Melibiose phenio.json (Gal)1 (Glc)1|6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose|6-O-alpha-D-galactopyranosyl-D-glucopyranose|D-Melibiose|D-mellibiose|Gal-alpha(1,6)Glc|Melibiose|WURCS=2.0/2,2,1/[a2122h-1x_1-5][a2112h-1a_1-5]/1-2/a6-b1|alpha-D-Gal-(1->6)-D-Glc|alpha-D-Galp-(1->6)-D-Glcp|alpha-D-galactopyranosyl-(1->6)-D-glucopyranose|alpha-D-galactosyl-(1->6)-D-glucose|melibiose http://purl.obolibrary.org/obo/CHEBI_28053 3_STAR
CHEBI:28054 biolink:ChemicalSubstance o-cresol A cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. CAS:95-48-7|Gmelin:101619|HMDB:HMDB0002055|KEGG:C01542|KNApSAcK:C00030878|PDBeChem:JZ0|PMID:15687000|Reaxys:506917|UM-BBD_compID:c0281|Wikipedia:O-Cresol phenio.json 1-hydroxy-2-methylbenzene|2-Hydroxytoluene|2-cresol|2-hydroxy-1-methylbenzene|2-hydroxytoluene|2-methylphenol|o-Cresol|o-Kresol|o-Methylphenol|o-cresylic acid|ortho-cresol|orthocresol http://purl.obolibrary.org/obo/CHEBI_28054 3_STAR
CHEBI:28057 biolink:ChemicalSubstance amylopectin A polydisperse highly branched polysaccharide derivative composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The chains are joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some 6-phosphate ester groups also may occur. The branches in amylopectin typically contain 24 to 30 glucose residues. CAS:9037-22-3|KEGG:C00317 phenio.json Amylopectin http://purl.obolibrary.org/obo/CHEBI_28057 3_STAR
CHEBI:28058 biolink:ChemicalSubstance alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer A sialotetraosylceramide consisting of a branched heptasaccharide made up from three sialyl residues, two galactose residues, one N-acetylglucosamine residue and a glucose residue at the reducing end attached to the ceramide portion via a beta-linkage. KEGG:C06140|KEGG:G00116|LIPID_MAPS_instance:LMSP0601AT00|PMID:1371229|PMID:1567198|PMID:16341241|PMID:1724444|PMID:17855742|PMID:19726417|PMID:20100930|PMID:21167756|PMID:2303428|PMID:2448252|PMID:24841627|PMID:25748038|PMID:25867522|PMID:26050638|PMID:28188832|PMID:7534889|PMID:7553668|PMID:7654064|PMID:7691279|PMID:7693874 phenio.json (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|(Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)3 (Cer)1|GT1b|Ganglioside GT1b|Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer|Neu5Ac-alpha2->3Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer|NeuAc(alpha2-3)Gal(beta1-3)GalNAc(beta1-4)[NeuAc(alpha2-8)NeuAc(alpha2-3)]Gal(beta1-4)Glc(beta1-1)Cer|NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer|NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta1-1'Cer|NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta1-1Cer|NeuAcalpha2->3Galbeta1->3GalNAcbeta1->4(NeuAcalpha2->8NeuAcalpha2->3)Galbeta1->4Glc1-1Cer|alpha-Neu5Ac-(2->3)-beta-Galp-(1->3)-beta-GalpNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Galp-(1->4)-beta-Glcp-(1<->1')-Cer|trisialoganglioside GT1b http://purl.obolibrary.org/obo/CHEBI_28058 3_STAR
CHEBI:28059 biolink:ChemicalSubstance cis-1,2-dithiane-4,5-diol The cyclic form of dithioerythritol. Beilstein:1280352|KEGG:C06484 phenio.json (4R,5S)-1,2-dithiane-4,5-diol|4,5-cis-Dihydroxy-1,2-dithiacyclohexane|Oxidized dithioerythritol|cis-1,2-dithiane-4,5-diol http://purl.obolibrary.org/obo/CHEBI_28059 3_STAR
CHEBI:28061 biolink:ChemicalSubstance alpha-D-galactose D-Galactopyranose having alpha-configuration at the anomeric centre. CAS:26566-61-0|CAS:3646-73-9|CAS:59-23-4|Drug_Central:1271|GlyGen:G09546QO|GlyTouCan:G09546QO|Gmelin:648638|KEGG:C00984|KEGG:C01582|KEGG:D04291|KNApSAcK:C00001119|PDBeChem:GLA|PMID:17991151|PMID:19443021|PMID:25568069|PMID:31537530|PMID:7521740|PMID:8154046|Reaxys:1281609 phenio.json ALPHA D-GALACTOSE|Gal-alpha|WURCS=2.0/1,1,0/[a2112h-1a_1-5]/1/|alpha-D-Gal|alpha-D-Galactose|alpha-D-galactopyranose|alpha-D-galactose http://purl.obolibrary.org/obo/CHEBI_28061 3_STAR
CHEBI:28063 biolink:ChemicalSubstance o-xylene A xylene substituted by methyl groups at positions 1 and 2. CAS:95-47-6|Chemspider:6967|DrugBank:DB03029|FooDB:FDB005819|Gmelin:67796|HMDB:HMDB0059851|KEGG:C07212|KNApSAcK:C00056020|MetaCyc:CPD-1421|PDBeChem:OXE|PMID:10598955|PMID:11357330|PMID:18656653|PMID:19167006|PMID:22960059|PMID:24246944|PMID:24421258|PMID:28621498|PMID:31911380|PMID:33465657|PMID:7399721|PMID:7691530|Reaxys:1815558|UM-BBD_compID:c0248|Wikipedia:O-Xylene phenio.json 1,2-Dimethylbenzol|1,2-dimethylbenzene|1,2-xylene|2-xylene|3,4-xylene|ORTHO-XYLENE|o-Dimethylbenzene|o-Methyltoluene|o-Xylene|o-Xylol|ortho-xylene http://purl.obolibrary.org/obo/CHEBI_28063 3_STAR
CHEBI:28064 biolink:ChemicalSubstance cyanidin 3-O-rutinoside A rutinoside consisting of cyanidin having the rutinosyl group at the 3-position. Drug_Central:3975|KEGG:C08620|KNApSAcK:C00002376|Reaxys:1838004|Wikipedia:Antirrhinin phenio.json 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenium-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|Cyanidin 3-O-rhamnosylglucoside|Cyanidin 3-O-rutinoside|Cyanidin 3-rhamnoglucoside http://purl.obolibrary.org/obo/CHEBI_28064 3_STAR
CHEBI:28070 biolink:ChemicalSubstance uridine 2'-phosphate A pyrimidine ribonucleoside 2'-monophosphate having uracil as the nucleobase Beilstein:50670|CAS:131-83-9|KEGG:C03031|PDBeChem:U2P phenio.json 2'-uridylic acid|Uridine 2'-monophosphate|Uridine 2'-phosphate http://purl.obolibrary.org/obo/CHEBI_28070 3_STAR
CHEBI:28071 biolink:ChemicalSubstance (indol-3-ylacetyl)-myo-inositol 3-L-arabinoside KEGG:C04611 phenio.json (1S,2S,3R,4S,5S,6S)-4-(beta-L-arabinopyranosyloxy)-2,3,5,6-tetrahydroxycyclohexyl 1H-indol-3-ylacetate|(indol-3-yl)acetyl-myo-inositol 3-L-arabinoside|Indole-3-ylacetyl-myo-inositol L-arabinoside http://purl.obolibrary.org/obo/CHEBI_28071 3_STAR
CHEBI:28073 biolink:ChemicalSubstance chromium atom A chromium group element atom that has atomic number 24. CAS:7440-47-3|KEGG:C06268|WebElements:Cr phenio.json 24Cr|Chrom|Chromium|Cr|chrome|chromium|cromo http://purl.obolibrary.org/obo/CHEBI_28073 3_STAR
CHEBI:28077 biolink:ChemicalSubstance rifampicin A member of the class of rifamycins that is a a semisynthetic antibiotic derived from Amycolatopsis rifamycinica (previously known as Amycolatopsis mediterranei and Streptomyces mediterranei). CAS:13292-46-1|DrugBank:DB01045|HMDB:HMDB0015179|KEGG:C06688|KEGG:D00211|PDBeChem:RFP|PMID:11600355|PMID:14665784|PMID:14670633|PMID:15331348|PMID:15383168|PMID:15705662|PMID:16159084|PMID:16515773|PMID:17828712|PMID:18332862|PMID:19386087|PMID:19458074|PMID:19723399|PMID:24718527|PMID:25720500|PMID:26725427|PMID:26819743|PMID:27082586|PMID:27143080|PMID:27182275|PMID:27242224|PMID:27470132|PMID:27569735|PMID:27617596|PMID:27640793|PMID:27755552|PMID:27795624|PMID:27883163|PMID:27965540|PMID:27993874|PMID:28081169|PMID:28118809|PMID:28181840|PMID:28184157|PMID:28207542|PMID:28262820|Patent:NL6509961|Patent:US3342810|Reaxys:5723476|Wikipedia:Rifampicin phenio.json (7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-{(E)-[(4-methylpiperazin-1-yl)imino]methyl}-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1(4,7).0(5,28)]triaconta-1(28),1(29),2,4,9,19,21,25,27-nonaen-13-yl acetate|3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV|RFP|Rifampicin|Rifampin|rifamcin|rifampicin|rifampicina|rifampicinum http://purl.obolibrary.org/obo/CHEBI_28077 3_STAR
CHEBI:28079 biolink:ChemicalSubstance beta-L-arabinoside KEGG:C02761 phenio.json beta-L-Arabinoside|beta-L-arabinosides http://purl.obolibrary.org/obo/CHEBI_28079 3_STAR
CHEBI:28080 biolink:ChemicalSubstance (2Z,4E)-2-hydroxymuconate(2-) A hexadienedioate compound having a 2-hydroxy substituent. Beilstein:4310322 phenio.json (2Z,4E)-2-hydroxyhexa-2,4-dienedioate|2-Hydroxymuconate http://purl.obolibrary.org/obo/CHEBI_28080 3_STAR
CHEBI:28084 biolink:ChemicalSubstance 3-(carbamoyloxymethyl)cephalosporin KEGG:C03674 phenio.json 3-(carbamoyloxymethyl)cephalosporins|3-Carbamoyloxymethylcephem http://purl.obolibrary.org/obo/CHEBI_28084 3_STAR
CHEBI:28087 biolink:ChemicalSubstance glycogen A polydisperse, highly branched glucan composed of chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage, joined together by alpha(1->6) glycosidic linkages. A small number of alpha(1->3) glycosidic linkages and some cumulative alpha(1->6) links also may occur. The branches in glycogen typically contain 8 to 12 glucose residues. CAS:9005-79-2|GlyGen:G99991IU|GlyTouCan:G99991IU|HMDB:HMDB0000757|KEGG:C00182|MetaCyc:CPD0-971|Wikipedia:Glycogen phenio.json Glycogen|WURCS=2.0/1,4,3/[a2122h-1a_1-5]/1-1-1-1/a4-b1_b4-c1_b6-d1|animal starch|liver starch http://purl.obolibrary.org/obo/CHEBI_28087 3_STAR
CHEBI:28088 biolink:ChemicalSubstance genistein A 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties. CAS:446-72-0|Chemspider:4444448|DrugBank:DB01645|FooDB:FDB011828|HMDB:HMDB0003217|KEGG:C06563|KEGG:D11680|KNApSAcK:C00002526|LINCS:LSM-5549|LIPID_MAPS_instance:LMPK12050218|MetaCyc:CPD-3141|PDBeChem:GEN|PMID:10469641|PMID:10741415|PMID:10912792|PMID:11564287|PMID:12629420|PMID:14654166|PMID:15196699|PMID:15288519|PMID:15576033|PMID:15772566|PMID:15833883|PMID:15853412|PMID:16061678|PMID:16166295|PMID:17004897|PMID:17979711|PMID:18344977|PMID:18413741|PMID:18490856|PMID:18815740|PMID:19107852|PMID:19402570|PMID:20211733|PMID:22303062|PMID:24023812|PMID:24297371|PMID:24379139|PMID:25593647|PMID:26322379|PMID:28166217|PMID:28259640|PMID:34314575|Reaxys:263823|Wikipedia:Genistein phenio.json 4',5,7-trihydroxyisoflavone|5,7,4'-Trihydroxyisoflavone|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one|GENISTEIN|Genistein|Prunetol|Sophoricol http://purl.obolibrary.org/obo/CHEBI_28088 3_STAR
CHEBI:28089 biolink:ChemicalSubstance N-hydroxytyrosine An L-tyrosine derivative obtained by replacement of one of the amino hydrogen by a hydroxy group. CAS:64448-49-3|HMDB:HMDB0038750|KEGG:C03004|Reaxys:14265538 phenio.json (2S)-2-(hydroxyamino)-3-(4-hydroxyphenyl)propanoic acid|N-Hydroxy-L-tyrosine|N-hydroxy-L-tyrosine|hydroxy-L-tyrosine|hydroxytyrosine http://purl.obolibrary.org/obo/CHEBI_28089 3_STAR
CHEBI:28093 biolink:ChemicalSubstance borneol A bornane monoterpenoid that is 1,7,7-trimethylbicyclo[2.2.1]heptane substituted by a hydroxy group at position 2. Beilstein:1903042|CAS:507-70-0|Gmelin:185292|KEGG:C01411|KNApSAcK:C00003028 phenio.json 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol|Borneo camphor|Borneol|Sumatra camphor|borneol|bornyl alcohol|endo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol|endo-2-bornanol|endo-2-camphanol|endo-2-hydroxycamphane http://purl.obolibrary.org/obo/CHEBI_28093 3_STAR
CHEBI:28096 biolink:ChemicalSubstance S-methyl-5-thio-D-ribulose 1-phosphate KEGG:C04582|PDBeChem:MRU phenio.json 5-S-METHYL-1-O-PHOSPHONO-5-THIO-D-RIBULOSE|5-S-methyl-1-O-phosphono-5-thio-D-ribulose|5-S-methyl-5-thio-D-erythro-pent-2-ulose 1-(dihydrogen phosphate)|5-S-methyl-5-thio-D-ribulose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_28096 3_STAR
CHEBI:28097 biolink:ChemicalSubstance chlorobenzene The simplest member of the class of monochlorobenzenes, that is benzene in which a single hydrogen has been substituted by a chlorine. CAS:108-90-7|Gmelin:26704|HMDB:HMDB0041855|KEGG:C06990|MetaCyc:CHLOROBENZENE|PDBeChem:8CL|PMID:23360185|PMID:23957149|PMID:24341791|Reaxys:605632|UM-BBD_compID:c0105|Wikipedia:Chlorobenzene phenio.json Benzene chloride|Chlorobenzene|Monochlorbenzol|Monochlorobenzene|PhCl|Phenyl chloride|chlorobenzene http://purl.obolibrary.org/obo/CHEBI_28097 3_STAR
CHEBI:28098 biolink:ChemicalSubstance kanamycin B Beilstein:61646|CAS:4696-76-8|Drug_Central:1520|KEGG:C00825|KEGG:D07497|KNApSAcK:C00018692|PDBeChem:9CS phenio.json (1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside|2'-amino-2'-deoxykanamycin|Bekanamycin|Kanamycin B|Nebramycin V|Nebramycin factor 5|O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1->4)-O-(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl-(1->6))-2-deoxy-D-streptamine http://purl.obolibrary.org/obo/CHEBI_28098 3_STAR
CHEBI:28099 biolink:ChemicalSubstance prostaglandin B2 CAS:13367-85-6|DrugBank:DB02304|KEGG:C05954|LIPID_MAPS_instance:LMFA03010018|PDBeChem:E2P|Reaxys:2153006 phenio.json (5Z,13E,15R)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid|(5Z,13E,15S)-15-hydroxy-9-oxoprosta-5,8(12),13-trien-1-oic acid|PGB2|Prostaglandin B2 http://purl.obolibrary.org/obo/CHEBI_28099 3_STAR
CHEBI:28100 biolink:ChemicalSubstance (1->3)-alpha-D-glucan An alpha-D-glucan in which the glucose units are connected by (1->3) linkages. KEGG:C02616|KEGG:G10492 phenio.json (1->3)-alpha-D-glucan|(1->3)-alpha-D-glucopyranan|1,3-alpha-D-Glucan|[alpha-D-Glucosyl-(1,3)]n|[alpha-D-Glucosyl-(1,3)]n+1 http://purl.obolibrary.org/obo/CHEBI_28100 3_STAR
CHEBI:28101 biolink:ChemicalSubstance N(1),N(12)-diacetylspermine Beilstein:11213521|KEGG:C03413 phenio.json DASpm|N,N'-[butane-1,4-diylbis(iminopropane-3,1-diyl)]diacetamide|N1,N12-Diacetylspermine http://purl.obolibrary.org/obo/CHEBI_28101 3_STAR
CHEBI:28102 biolink:ChemicalSubstance amylose A glucan composed of unbranched chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The number of repeated glucose subunits (n) is usually in the range of 300 to 3000, but can be many thousands. One of the two components of starch (the other, 70-80%, being amylopectin). Cf. linear maltodextrin, in which the chain length is typically between 3 and 17 glucose units. CAS:9005-82-7|HMDB:HMDB0003403|KEGG:C00718|KEGG:D02329|KEGG:G10495|PMID:24162153|PMID:24299760|PMID:24491702|PMID:24505384|Reaxys:8194785|Wikipedia:Amylose phenio.json (1,4-alpha-D-Glucosyl)n|(1,4-alpha-D-Glucosyl)n+1|(1,4-alpha-D-Glucosyl)n-1|(1->4)-alpha-D-glucopyranan|1,4-alpha-D-Glucan|4-{(1,4)-alpha-D-Glucosyl}(n-1)-D-glucose|Amylose|Amylose chain http://purl.obolibrary.org/obo/CHEBI_28102 3_STAR
CHEBI:28107 biolink:ChemicalSubstance 2-isopropylmalate(2-) A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 2-isopropylmalic acid. MetaCyc:3-CARBOXY-3-HYDROXY-ISOCAPROATE|PMID:18682385|PMID:20008079|PMID:20824215 phenio.json 2-hydroxy-2-(propan-2-yl)butanedioate|2-hydroxy-2-isopropylsuccinate|3-carboxy-3-hydroxy-4-methylpentanoate|3-carboxy-3-hydroxyisocaproate|3-hydroxy-4-methyl-3-carboxypentanoate|alpha-isopropylmalate http://purl.obolibrary.org/obo/CHEBI_28107 3_STAR
CHEBI:28112 biolink:ChemicalSubstance nickel atom Chemical element (nickel group element atom) with atomic number 28. CAS:7440-02-0|Gmelin:16229|KEGG:C00291|PMID:12756270|PMID:14634084|PMID:14734778|PMID:15165199|PMID:19828094|PMID:20477134|PMID:22762130|PMID:23142754|PMID:23317102|PMID:23692032|PMID:23692035|PMID:23723488|PMID:23834453|PMID:23857010|PMID:23895079|PMID:23909687|PMID:9060994|PMID:9886425|Reaxys:4122946|WebElements:Ni|Wikipedia:Nickel phenio.json 28Ni|Ni|Nickel|Raney alloy|niccolum|nickel|niquel http://purl.obolibrary.org/obo/CHEBI_28112 3_STAR
CHEBI:28113 biolink:ChemicalSubstance 24,25-dihydrolanosterol A 3beta-sterol formed from lanosterol by reduction across the C-24-C-25 double bond. CAS:79-62-9|HMDB:HMDB0006839|KEGG:C05109|KNApSAcK:C00023781|LIPID_MAPS_instance:LMST01010087|MetaCyc:CPD-8606|PMID:898228|Reaxys:2224904 phenio.json 24,25-Dihydrolanosterol|24,25-dihydrolanosterol|Lanostenol|lanost-8-en-3beta-ol http://purl.obolibrary.org/obo/CHEBI_28113 3_STAR
CHEBI:28115 biolink:ChemicalSubstance methylcobalamin CAS:13422-55-4|COMe:MOL000085|DrugBank:DB03614|Gmelin:124528|KEGG:C06453|KEGG:D03246|PDBeChem:COB phenio.json CO-METHYLCOBALAMIN|Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-methylcobamide|MeCbl|Methylcobalamin|mecobalamin|methylcob(III)alamin|methylcobalamin http://purl.obolibrary.org/obo/CHEBI_28115 3_STAR
CHEBI:28116 biolink:ChemicalSubstance 5-guanidino-2-oxopentanoic acid A 2-oxo monocarboxylic acid that is 2-oxopentanoic acid in which one of the methyl hydrogens is substituted by a carbamimidamido group. Beilstein:1778170|CAS:3715-10-4|KEGG:C03771|PDBeChem:JX7|Reaxys:1778170 phenio.json 2-Oxo-5-guanidino-pentanoate|2-Oxo-5-guanidinopentanoate|2-Oxoarginine|2-oxo-5-guanidinovaleric acid|5-((aminoiminomethyl)amino)-2-oxopentanoic acid|5-Guanidino-2-oxo-pentanoate|5-Guanidino-2-oxopentanoate|5-carbamimidamido-2-oxopentanoic acid|alpha-keto-delta-guanidinopentanoic acid|alpha-keto-delta-guanidinovaleric acid http://purl.obolibrary.org/obo/CHEBI_28116 3_STAR
CHEBI:28118 biolink:ChemicalSubstance muramic acid PMID:24441017 phenio.json 2-amino-3-O-D-1-carboxyethyl-2-deoxy-D-glucose|2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-D-glucose|2-amino-3-O-[(R)-1-carboxyethyl]-2-deoxy-D-glucose|3-O-alpha-carboxyethyl-D-glucosamine|Mur|Muraminsaeure|muramic acid http://purl.obolibrary.org/obo/CHEBI_28118 3_STAR
CHEBI:28119 biolink:ChemicalSubstance 2,3,7,8-tetrachlorodibenzodioxine Beilstein:271116|CAS:1746-01-6|Gmelin:366537|KEGG:C07557|LINCS:LSM-37232|Wikipedia:2,3,7,8-Tetrachlorodibenzo-P-Dioxin phenio.json 2,3,7,8-Tetrachlorodibenzo-p-dioxin|2,3,7,8-Tetrachlorodibenzodioxin|2,3,7,8-tetrachlorooxanthrene|Dioxin|PCDD 48|TCDD|Tetrachlorodibenzodioxin|dioxine|tetradioxin http://purl.obolibrary.org/obo/CHEBI_28119 3_STAR
CHEBI:28120 biolink:ChemicalSubstance L-fructose CAS:7776-48-9|KEGG:C01719 phenio.json L-Fru|L-Fructose|L-arabino-Hexulose|L-arabino-hexulose|L-fructose http://purl.obolibrary.org/obo/CHEBI_28120 3_STAR
CHEBI:28121 biolink:ChemicalSubstance harmine A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. CAS:442-51-3|DrugBank:DB07919|KEGG:C06538|KNApSAcK:C00001737|LINCS:LSM-5451|PDBeChem:HRM|PMID:11473435|PMID:22877698|Reaxys:178813|Wikipedia:Harmine phenio.json 6-Methoxyharman|7-methoxy-1-methyl-9H-beta-carboline|7-methoxy-1-methyl-9H-pyrido[3,4-b]indole|Banisterine|Harmine|Leucoharmine|Telepathine|Yageine|Yajeine http://purl.obolibrary.org/obo/CHEBI_28121 3_STAR
CHEBI:28122 biolink:ChemicalSubstance p-cumic acid A cumic acid that consists of benzoic acid substituted by an isopropyl group at position 4. CAS:536-66-3|HMDB:HMDB0035268|KEGG:C06578|KNApSAcK:C00036581|PDBeChem:4IA|PMID:12560039|PMID:25042713|PMID:7385912|PMID:845117|Patent:CN101843243|Reaxys:1907514 phenio.json 4-(1-Methylethyl)benzoic acid|4-(propan-2-yl)benzoic acid|4-Isopropylbenzoic acid|4-propan-2-ylbenzoic acid|Cumic acid|Cuminic acid|p-Isopropylbenzoic acid http://purl.obolibrary.org/obo/CHEBI_28122 3_STAR
CHEBI:28125 biolink:ChemicalSubstance all-cis-docosa-4,7,10,13,16,19-hexaenoic acid A docosahexaenoic acid having six cis-double bonds at positions 4, 7, 10, 13, 16 and 19. CAS:6217-54-5|DrugBank:DB03756|Drug_Central:4289|HMDB:HMDB0002183|KEGG:C06429|LIPID_MAPS_instance:LMFA01030185|MetaCyc:CPD-10244|PDBeChem:HXA|PMID:12359365|PMID:12538082|PMID:17291553|PMID:18072818|PMID:18220672|PMID:21045096|Reaxys:1715505|Wikipedia:Docosahexaenoic_acid phenio.json (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid|(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid|22:6(n-3)|22:6-4, 7,10,13,16,19|4,7,10,13,16,19-Docosahexaenoic acid|4,7,10,13,16,19-docosahexaenoic acid|DHA|DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID|Doconexent|Docosahexaenoic acid|all-cis-4,7,10,13,16,19-docosahexaenoic acid|all-cis-DHA|cervonic acid|docosa-4,7,10,13,16,19-hexaenoic acid http://purl.obolibrary.org/obo/CHEBI_28125 3_STAR
CHEBI:28130 biolink:ChemicalSubstance 13,14-dihydro-Delta(12)-prostaglandin J2 A member of the class of prostaglandins J that is prosta-5,9,12-trien-1-oic acid carrying oxo and hydsroxy substituents at positions 11 and 15 respectively (the 5Z,12E,15S-stereoisomer). CAS:87893-54-7|KEGG:C05958|LIPID_MAPS_instance:LMFA03010020 phenio.json (5Z,12E,15S)-15-hydroxy-11-oxoprosta-5,9,12-trien-1-oic acid|9-Deoxy-9,10-didehydro-12,13-didehydro-13,14-dihydroprostaglandin D2|9-Deoxy-delta(9), delta(12)-13,14-dihydroprostaglandin D2|9-Deoxy-delta(9,12)-13,14-dihydro PGD2|Dddd-PGD2|d12-PGJ2|delta(12)-PGJ2|delta-12-PGJ2|delta-12-Prostaglandin J2 http://purl.obolibrary.org/obo/CHEBI_28130 3_STAR
CHEBI:28133 biolink:ChemicalSubstance S-alkyl-L-cysteine S-oxide An S-alkyl-L-cysteine in which the sulfur of the thioether moiety has been oxidised to the corresponding sulfoxide. KEGG:C03726 phenio.json S-Alkyl-L-cysteine S-oxide|S-alkyl-L-cysteine S-oxides http://purl.obolibrary.org/obo/CHEBI_28133 3_STAR
CHEBI:28134 biolink:ChemicalSubstance ammelide Beilstein:607754|CAS:645-93-2|Gmelin:164827|KEGG:C08734|UM-BBD_compID:c0172 phenio.json 2,4-Dihydroxy-6-amino-1,3,5-triazine|6-amino-1,3,5-triazine-2,4-diol|Ammelide|ammelide http://purl.obolibrary.org/obo/CHEBI_28134 3_STAR
CHEBI:28137 biolink:ChemicalSubstance D-glycero-D-manno-heptose 1-phosphate KEGG:C07838 phenio.json 1-O-phosphono-D-glycero-Dmanno-heptopyranose|D-glycero-D-manno-Heptose 1-phosphate|D-glycero-Dmanno-heptopyranose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_28137 3_STAR
CHEBI:28138 biolink:ChemicalSubstance undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine An undecaprenyldiphospho-N-acetylmuramoyl peptide in which the peptide element is L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine and in which the muramoyl residue is glucosaminyl-substituted at O-4. KEGG:C05898|KEGG:G10555 phenio.json Undecaprenyl-diphospho-N-acetylmuramoyl-(N-acetylglucosamine)-L-alanyl-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine http://purl.obolibrary.org/obo/CHEBI_28138 3_STAR
CHEBI:2814 biolink:ChemicalSubstance arecoline A tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an agonist of muscarinic acetylcholine. CAS:63-75-2|DrugBank:DB04365|HMDB:HMDB0030353|KEGG:C10129|KNApSAcK:C00002020|LINCS:LSM-15214|PMID:21809341|PMID:22493525|PMID:23525646|PMID:23895157|Patent:CN101411705|Patent:CN102464607|Patent:US2506458|Reaxys:123045|Wikipedia:Arecoline phenio.json arecaidine methyl ester|arecaline|arecholine|arekolin|methyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate|methylarecaiden|methylarecaidin http://purl.obolibrary.org/obo/CHEBI_2814 3_STAR
CHEBI:28140 biolink:ChemicalSubstance D-quinovose CAS:7658-08-4|KEGG:C02522|KNApSAcK:C00001128 phenio.json 6-Deoxy-D-glucose|6-deoxy-D-glucose|D-Chinovose|D-Epifucose|D-Glucomethylose|D-Qui|D-Quinovose|Isorhamnose|Isorhodeose http://purl.obolibrary.org/obo/CHEBI_28140 3_STAR
CHEBI:28142 biolink:ChemicalSubstance chloral hydrate An organochlorine compound that is the hydrate of trichloroacetaldehyde. Beilstein:1698497|CAS:302-17-0|DrugBank:DB01563|Drug_Central:586|Gmelin:101369|KEGG:C06899|KEGG:D00265|MetaCyc:CPD0-1476|PPDB:2987|UM-BBD_compID:c0011|VSDB:2987 phenio.json 1,1,1-trichloro-2,2-dihydroxyethane|1,1,1-trichloro-2,2-ethanediol|2,2,2-trichloro-1,1-ethanediol|2,2,2-trichloroethane-1,1-diol|Aquachloral Supprettes|Chloral hydrate|Chloralhydrat|Noctec|Somnote|Trichloracetaldehyd-hydrat|chloral monohydrate|knockout drops|trichloroacetaldehyde hydrate http://purl.obolibrary.org/obo/CHEBI_28142 3_STAR
CHEBI:28143 biolink:ChemicalSubstance digitalin CAS:752-61-4|Drug_Central:3143|KEGG:C08862|KNApSAcK:C00003616 phenio.json 3beta-(6-deoxy-4-O-beta-D-glucopyranosyl-3-O-methyl-beta-D-galactopyranosyloxy)-14,16beta-dihydroxy-5beta-card-20(22)-enolide|Digitalin|Gitoxigenin 3-O-glucosyldigitaloside|Glucostrospeside http://purl.obolibrary.org/obo/CHEBI_28143 3_STAR
CHEBI:28145 biolink:ChemicalSubstance dibenzofuran A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions. CAS:132-64-9|Gmelin:67825|KEGG:C07729|PMID:12009135|PMID:20686914|PMID:21554085|Reaxys:121100|UM-BBD_compID:c0039|Wikipedia:Dibenzofuran phenio.json DBF|Dibenzofuran|Diphenylene oxide|dibenzo[b,d]furan|dibenzofuran http://purl.obolibrary.org/obo/CHEBI_28145 3_STAR
CHEBI:28146 biolink:ChemicalSubstance L-xylonate phenio.json (2S,3R,4S)-2,3,4,5-tetrahydroxypentanoate|L-xylonate http://purl.obolibrary.org/obo/CHEBI_28146 3_STAR
CHEBI:28147 biolink:ChemicalSubstance N(2')-acetylgentamycin C1a KEGG:C03524 phenio.json (1R,2S,3S,4R,6S)-4,6-diamino-3-[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyloxy]-2-hydroxycyclohexyl 2-acetamido-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside|N(2')-acetylgentamycin C1a|N2'-Acetylgentamicin C1a http://purl.obolibrary.org/obo/CHEBI_28147 3_STAR
CHEBI:28148 biolink:ChemicalSubstance sodium stibogluconate A D-gluconate adduct of indefinite composition containing between 30 and 34% of antimony(V), calculated with reference to dried and methanol-free substance. It is used as a treatment for leishmaniasis. CAS:16037-91-5|DrugBank:DB05630|KEGG:C07638|KEGG:D00582 phenio.json Antimony (V) derivative of sodium gluconate|Antimony sodium gluconate|Myostibin|Pentostam|Sodium stibogluconate|Stibanate|Stibanose|Stibatin|Stibinol|estibogluconato sodico|natrii stibogluconas|sodium stibogluconate|stibogluconate de sodium|trisodium 1-{[3-carboxylato-5-(1,2-dihydroxyethyl)-1-hydroxy-2,6,7-trioxa-1lambda(5)-stibabicyclo[2.2.1]hept-1-yl]oxy}-5-(1,2-dihydroxyethyl)-1-oxido-2,6,7-trioxa-1lambda(5)-stibabicyclo[2.2.1]heptane-3-carboxylate nonahydrate|trisodium 1-{[3-carboxylato-5-(1,2-dihydroxyethyl)-1-hydroxy-2,6,7-trioxa-1lambda(5)-stibabicyclo[2.2.1]hept-1-yl]oxy}-5-(1,2-dihydroxyethyl)-1-oxido-2,6,7-trioxa-1lambda(5)-stibabicyclo[2.2.1]heptane-3-carboxylate--water (1/9) http://purl.obolibrary.org/obo/CHEBI_28148 3_STAR
CHEBI:28151 biolink:ChemicalSubstance 5beta,9alpha,10alpha-labda-8(20),13-dien-15-yl diphosphate Beilstein:8594375|KEGG:C06089|KNApSAcK:C00000880|LIPID_MAPS_instance:LMPR0104030001 phenio.json (-)-Copalyl diphosphate|3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate|5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate|5beta,9alpha,10alpha-labda-8(20),13-dien-15-yl trihydrogen diphosphate|ent-Copalyl diphosphate http://purl.obolibrary.org/obo/CHEBI_28151 3_STAR
CHEBI:28157 biolink:ChemicalSubstance pinocembrin A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea. CAS:480-39-7|HMDB:HMDB0030808|KEGG:C09827|KNApSAcK:C00000992|LINCS:LSM-4126|LIPID_MAPS_instance:LMPK12140214|MetaCyc:CPD-6991|PMID:21973101|PMID:22050318|PMID:23179089|PMID:23212747|PMID:23594163|PMID:23611777|PMID:23669639|PMID:23697399|PMID:23725831|PMID:23725838|PMID:23847074|Reaxys:88951|Wikipedia:Pinocembrin phenio.json (2S)-5,7-dihydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one|(2S)-pinocembrin|(S)-2,3-Dihydro-5,7-dihydroxy-2-phenyl-4H-1-benzopyran-4-one|(S)-5,7-dihydroxyflavanone|(S)-pinocembrin|5,7-Dihydroxyflavanone|Dihydrochrysin|Galangin flavanone http://purl.obolibrary.org/obo/CHEBI_28157 3_STAR
CHEBI:28158 biolink:ChemicalSubstance 6-oxoprostaglandin F1alpha A prostaglandin Falpha that is prostaglandin F1alpha bearing a keto substituent at the 6-position. CAS:58962-34-8|KEGG:C05961|LIPID_MAPS_instance:LMFA03010001|PMID:11034952|PMID:11481608|PMID:11510754|PMID:11529335|PMID:11798014|PMID:12535846|PMID:12912853|PMID:14735492|PMID:15108967|PMID:15550787|PMID:15684771|PMID:15883739|PMID:18942642|PMID:6107345|PMID:6132981|PMID:7864124|PMID:9013819|Reaxys:2821925 phenio.json (13E,15S)-9alpha,11alpha,15-trihydroxy-6-oxoprost-13-en-1-oic acid|6-Keto-PGF1a|6-Keto-PGF1alpha|6-Keto-prostaglandin F1a|6-Keto-prostaglandin F1alpha|6-Ketoprostaglandin F1alpha|6-Oxo-PGF1alpha|6-Oxoprostaglandin F1alpha|6-oxo-PGF1alpha|6-oxo-prostaglandin F1alpha http://purl.obolibrary.org/obo/CHEBI_28158 3_STAR
CHEBI:28159 biolink:ChemicalSubstance D-asparagine An optically active form of asparagine having D-configuration. CAS:2058-58-4|DrugBank:DB03943|Gmelin:101784|HMDB:HMDB0033780|KEGG:C01905|MetaCyc:CPD-3633|PDBeChem:DSG|PMID:767332|Patent:CN101333175|Reaxys:1723526|YMDB:YMDB00849 phenio.json (2R)-2,4-diamino-4-oxobutanoic acid|(2R)-2-amino-3-carbamoylpropanoic acid|(R)-2-amino-3-carbamoylpropanoic acid|D-2-aminosuccinamic acid|D-Asparagin|D-Asparagine|D-asparagine|D-aspartic acid beta-amide|DSG http://purl.obolibrary.org/obo/CHEBI_28159 3_STAR
CHEBI:28161 biolink:ChemicalSubstance beta-D-xylose D-Xylopyranose in which the anomeric configuration is beta. GlyGen:G16579HJ|GlyTouCan:G16579HJ|KEGG:C02096|KEGG:G00154|PMID:32568414 phenio.json WURCS=2.0/1,1,0/[a212h-1b_1-5]/1/|beta-D-Xylose|beta-D-xylopyranose|beta-D-xylose http://purl.obolibrary.org/obo/CHEBI_28161 3_STAR
CHEBI:28163 biolink:ChemicalSubstance iron(III) hydroxamate A complex between iron(III) and three hydroxamic acid groups, used for iron transport. KEGG:C06227 phenio.json Fe(III) hydroxamate|Fe(III) hydroxamates|Fe(III)hydroxamate|Fe(III)hydroxamic acid|iron(III) hydroxamates http://purl.obolibrary.org/obo/CHEBI_28163 3_STAR
CHEBI:28164 biolink:ChemicalSubstance cholesterol beta-epoxide 5,6beta-epoxy-5beta-cholestan-3beta-ol Beilstein:89509|CAS:4025-59-6|LIPID_MAPS_instance:LMST01010010 phenio.json (3-beta,5-beta,6-beta)-5,6-Epoxycholestan-3-ol|5,6beta-Epoxy-5beta-cholestan-3beta-ol|5,6beta-epoxy-5beta-cholestan-3beta-ol|5,6beta-epoxy-cholesterol|5,beta6beta-epoxy-cholestan-3beta-ol|5beta,6beta-Epoxycholestan-3beta-ol|Cholesterol-5beta,6beta-epoxide http://purl.obolibrary.org/obo/CHEBI_28164 3_STAR
CHEBI:28168 biolink:ChemicalSubstance 6-oxocyclohex-1-ene-1-carbonyl-CoA A 3-oxoacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 6-oxocyclohex-1-ene-1-carboxylic acid. KEGG:C09821 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(6-oxocyclohex-1-ene-1-carbonyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|6-Ketoxycyclohex-1-ene-1-carboxyl-CoA|6-ketocyclohex-1-ene-1-carbonyl-coenzyme A|6-oxocyclohex-1-ene-1-carbonyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28168 3_STAR
CHEBI:28171 biolink:ChemicalSubstance 5-hydroxytryptophan A tryptophan derivative that is tryptophan substituted by a hydroxy group at position 5. CAS:114-03-4|CAS:56-69-9|KEGG:C01017|KNApSAcK:C00001371|PMID:14563478|PMID:15617538|Reaxys:88199|Wikipedia:5-Hydroxytryptophan phenio.json (+-)-5-hydroxytryptophan|2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid|5-HTP|5-Hydroxytryptophan|5-hydroxy-DL-tryptophan|5-hydroxytryptophan|5-hydroxytryptophan DL-form|DL-5-HTP|DL-5-hydroxytryptophan http://purl.obolibrary.org/obo/CHEBI_28171 3_STAR
CHEBI:28172 biolink:ChemicalSubstance harmaline A harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7 and has been reduced across the 3,4 bond. CAS:304-21-2|KEGG:C06536|KNApSAcK:C00001735|Reaxys:207310 phenio.json 3,4-Dihydroharmine|7-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline|7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole|Armalin|Dihydroharmine|Harmaline|Harmalol methyl ether|Harmidine|O-Methylharmalol|harmalin http://purl.obolibrary.org/obo/CHEBI_28172 3_STAR
CHEBI:28175 biolink:ChemicalSubstance beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer A sialotetraosylceramide consisting of a branched hexasaccharide made up from two sialyl residues, two galactose residues, one N-acetylglucosamine residue and a glucose residue at the reducing end attached to the ceramide portion via a beta-linkage. CAS:19553-76-5|KEGG:C06141|KEGG:G00115|LIPID_MAPS_instance:LMSP0601AQ00|PMID:10949532|PMID:1371229|PMID:1567198|PMID:16341241|PMID:1724444|PMID:17855742|PMID:19221437|PMID:19726417|PMID:2303428|PMID:2448252|PMID:24841627|PMID:25748038|PMID:25867522|PMID:26050638|PMID:27485170|PMID:27938|PMID:28188832|PMID:28416698|PMID:6204642|PMID:7534889|PMID:7691279|PMID:7693874|PMID:8857725|Reaxys:10056853 phenio.json (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|(Gal)2 (GalNAc)1 (Glc)1 (Neu5Ac)2 (Cer)1|GD1b|Gal(beta1-3)GalNAc(beta1-4)[NeuAc(alpha2-8)NeuAc(alpha2-3)]Gal(beta1-4)Glc(beta1-1)Cer|Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)Gal-beta1->4Glc-beta1->1'Cer|Gal-beta1->3GalNAc-beta1->4(Neu5Ac-alpha2->8Neu5Ac-alpha2->3)LacCer|Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta1-1Cer|Galbeta1->3GalNAcbeta1->4(NeuAcalpha2->8NeuAcalpha2->3)Galbeta1->4Glcbeta1-1Cer|II(3)(Neuaca2-8NeuAc)Gg4Cer|II(3)Neu5Ac2GgOse4Cer|beta-Galp-(1->3)-beta-GalpNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Galp-(1->4)-beta-Glcp-(1<->1')-Cer|disialo GD1b|disialoganglioside GD1b|ganglioside GD1b http://purl.obolibrary.org/obo/CHEBI_28175 3_STAR
CHEBI:28177 biolink:ChemicalSubstance theophylline A dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to caffeine and is found in green and black tea. CAS:58-55-9|DrugBank:DB00277|Drug_Central:2620|Gmelin:51226|HMDB:HMDB0001889|KEGG:C07130|KEGG:D00371|KNApSAcK:C00001510|MetaCyc:CPD-12479|PDBeChem:TEP|PMID:10796631|PMID:10836323|PMID:10893702|PMID:10921764|PMID:11126990|PMID:11170036|PMID:11200776|PMID:11261527|PMID:11408152|PMID:11826912|PMID:11848250|PMID:11941393|PMID:11949272|PMID:11950649|PMID:12531775|PMID:12836095|PMID:14517178|PMID:14713563|PMID:14988770|PMID:15005370|PMID:15042504|PMID:15202575|PMID:15317832|PMID:15356646|PMID:15483348|PMID:15739418|PMID:15829161|PMID:15902964|PMID:15908149|PMID:16083514|PMID:16651698|PMID:16930490|PMID:17130682|PMID:17207928|PMID:18307508|PMID:18800032|PMID:19559058|PMID:19727789|PMID:19845735|PMID:19888960|PMID:21467671|PMID:21796703|PMID:21834615|PMID:22377744|PMID:22541679|PMID:22541837|PMID:22702215|PMID:22770225|PMID:22771369|PMID:22836872|PMID:22909172|PMID:22915350|PMID:22981724|PMID:7302609|PMID:7389811|PMID:7656958|PMID:7767539|PMID:8730732|PMID:8960878|PMID:9256615|Reaxys:13463|VSDB:1801|Wikipedia:Theophylline phenio.json 1,3-Dimethylxanthine|1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione|1,3-dimethyl-7H-purine-2,6-dione|Elixophyllin|Respbid|THEOPHYLLINE|Theo-Dur|Theolair|Theophyllin|Theophylline|Uniphyl|theophylline|theophylline anhydrous http://purl.obolibrary.org/obo/CHEBI_28177 3_STAR
CHEBI:28179 biolink:ChemicalSubstance benzamide An aromatic amide that consists of benzene bearing a single carboxamido substituent. The parent of the class of benzamides. CAS:55-21-0|HMDB:HMDB0004461|KEGG:C09815|PMID:20133863|Reaxys:385876|UM-BBD_compID:c0368|Wikipedia:Benzamide phenio.json Benzamide|Benzenecarboxamide|Benzoic acid amide|Benzoylamide|PhC(=O)NH2|PhC(O)NH2|Phenylcarboxamide|Phenylcarboxyamide|benzamide http://purl.obolibrary.org/obo/CHEBI_28179 3_STAR
CHEBI:28181 biolink:ChemicalSubstance 2',3'-cyclic GMP A 2',3'-cyclic purine nucleotide in which guanosine is used as the parent nucleoside. CAS:634-02-6|KEGG:C06194|MetaCyc:CPD-3709|Reaxys:59789 phenio.json 2',3'-Cyclic GMP|2-amino-9-[(3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-1,9-dihydro-6H-purin-6-one|O(2'),O(3')-hydroxyphosphoryl-guanosine|cyclic guanosine 2',3'-monophosphate|guanosine 2',3'-cyclic monophosphate|guanosine 2',3'-cyclic phosphate|guanosine cyclic 2',3'-(hydrogen phosphate)|guanosine cyclic-2',3'-monophosphate http://purl.obolibrary.org/obo/CHEBI_28181 3_STAR
CHEBI:28185 biolink:ChemicalSubstance kanamycin C Beilstein:61645|CAS:2280-32-2|KEGG:C01823|KNApSAcK:C00018690|MetaCyc:CPD-4823|PDBeChem:KNC phenio.json (1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside|Kanamycin C http://purl.obolibrary.org/obo/CHEBI_28185 3_STAR
CHEBI:28189 biolink:ChemicalSubstance isomaltose A glycosylglucose consisting of two D-glucopyranose units connected by an alpha-(1->6)-linkage. HMDB:HMDB0002923|KEGG:C00252|KEGG:G01318|KNApSAcK:C00018660|PMID:10649708|PMID:12420145|PMID:15856492|PMID:17439666|PMID:18551581|PMID:18551697|PMID:18552181|PMID:18553698|PMID:19508914|PMID:2279245|PMID:2526680|PMID:3480987|PMID:7573970|PMID:8003622|PMID:8179179|PMID:8890914|PMID:9987646|Reaxys:1292775|Wikipedia:Isomaltose phenio.json (Glc)2|6-O-alpha-D-glucopyranosyl-D-glucopyranose|Brachiose|Hunterioside|Isomaltose|alpha-D-Glc-(1->6)-D-Glc|alpha-D-Glcp-(1->6)-D-Glcp|alpha-D-glucopyranosyl-(1->6)-D-glucopyranose|alpha-D-glucosyl-(1->6)-D-glucose|isomaltose http://purl.obolibrary.org/obo/CHEBI_28189 3_STAR
CHEBI:28191 biolink:ChemicalSubstance 6-alpha-maltosylglucose A glucotriose consisting of two alpha-D-glucopyranose residues and a D-glucopyranose residue joined in sequence by (1->4) and (1->6) glycosidic bonds. GlyGen:G07348OG|GlyTouCan:G07348OG|HMDB:HMDB0039707|KEGG:C03367|KEGG:G00389 phenio.json (3R,4S,5S,6R)-6-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol|(3R,4S,5S,6R)-6-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol|Glc(a1-4)Glc(a1-6)Glc|WURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1a_1-5]/1-2-2/a6-b1_b4-c1|alpha-D-gluco-hexopyranosyl-(1->4)-alpha-D-gluco-hexopyranosyl-(1->6)-D-gluco-hexopyranose|alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->6)-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_28191 3_STAR
CHEBI:28193 biolink:ChemicalSubstance lupanine The delta-lactam obtained by formal oxidation at the 2-position of sparteine. The major alkaloid from the seeds of Lupinus exaltatus, L. mexicanus and L. rotundiflorus, it is among the most important of the tetracyclic quinolizidine alkaloids. CAS:550-90-3|KEGG:C10772|KNApSAcK:C00002225|MetaCyc:CPD-8917|PMID:11045450|PMID:11714325|PMID:17269069|PMID:17402058|PMID:19467626|PMID:20580181|PMID:7810174|PMID:930514|PMID:9751462|Reaxys:86318 phenio.json (+)-2-oxosparteine|(+)-Lupanine|(7alpha,7aalpha,14alpha,14abeta)-dodecahydro-7,14-methano-2H,11H-dipyridol[1,2-a:1',2'-e][1,5]diazocin-11-one|2-oxosparteine|Lupanine|d-lupanine|lupanine|spartein-2-one http://purl.obolibrary.org/obo/CHEBI_28193 3_STAR
CHEBI:28195 biolink:ChemicalSubstance 3alpha-hydroxy-5beta-androstan-17-one An androstanoid that is 5beta-androstane substituted by an alpha-hydroxy group at position 3 and an oxo group at position 17. It is a metabolite of testosterone in mammals. CAS:53-42-9|DrugBank:DB02854|HMDB:HMDB0000490|KEGG:C04373|LIPID_MAPS_instance:LMST02020059|PDBeChem:AE2|PMID:1146492|PMID:301822|PMID:663966|Reaxys:2217625|Wikipedia:Etiocholanolone phenio.json (3alpha,5beta)-3-hydroxyandrostan-17-one|3alpha-Hydroxy-5beta-androstan-17-one|3alpha-Hydroxyetiocholan-17-one|3alpha-etiocholanolone|3alpha-hydroxy-5beta-androstan-17-one|5-isoandrosterone|5beta-androstan-3alpha-ol-17-one|5beta-androsterone|AETIOCHOLANOLONE|Etiocholan-3alpha-ol-17-one|Etiocholanolone http://purl.obolibrary.org/obo/CHEBI_28195 3_STAR
CHEBI:28197 biolink:ChemicalSubstance daidzein A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'. CAS:486-66-8|HMDB:HMDB0003312|KEGG:C10208|KNApSAcK:C00009380|LINCS:LSM-2935|LIPID_MAPS_instance:LMPK12050038|MetaCyc:DAIDZEIN|PMID:11193416|PMID:16802696|PMID:23267126|PMID:23337939|PMID:23342971|PMID:23439294|PMID:9544566|Reaxys:231523|Wikipedia:Daidzein phenio.json 4',7-dihydroxyisoflavone|7,4'-dihydroxyisoflavone|7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone|7-hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one|Daidzein|daidzeol|isoaurostatin http://purl.obolibrary.org/obo/CHEBI_28197 3_STAR
CHEBI:28199 biolink:ChemicalSubstance ferrienterobactin(3-) Iron (Fe3+) siderophore CAS:61481-53-6|Gmelin:2494246|Gmelin:885856|KEGG:C06230|MetaCyc:FERRIC-ENTEROBACTIN-COMPLEX|PMID:12655062|PMID:16819888|PMID:21842211|PMID:23905838|PMID:24981231|PMID:28956921|PMID:30135989|PMID:31413254|PMID:32098871|PMID:9852016 phenio.json Fe(III)-enterobactin|Fe-enterobactin|FeEnt|[Fe(ent)](3-)|ferric enterobactin|ferric-enterobactin|ferrienterobactin|ferrienterochelin|{N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-kappaO)benzamidato](6-)}ferrate(3-)|{N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-kappaO)benzamidato]}ferrate(3-) http://purl.obolibrary.org/obo/CHEBI_28199 3_STAR
CHEBI:28201 biolink:ChemicalSubstance rotenone A member of the class of rotenones that consists of 1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one substituted at position 2 by a prop-1-en-2-yl group and at positions 8 and 9 by methoxy groups (the 2R,6aS,12aS-isomer). A non-systemic insecticide, it is the principal insecticidal constituent of derris (the dried rhizome and root of Derris elliptica). BPDB:587|CAS:83-79-4|DrugBank:DB11457|FooDB:FDB012837|HMDB:HMDB0034436|KEGG:C07593|KNApSAcK:C00002568|LINCS:LSM-5260|LIPID_MAPS_instance:LMPK12060007|PDBeChem:970|PMID:14976342|PMID:15043430|PMID:15790535|PMID:17077549|PMID:19013527|PMID:32972993|PMID:33402167|PMID:33901458|PMID:33961406|Patent:CN102007944|Patent:CN102090406|Reaxys:99070|VSDB:587|Wikipedia:Rotenone phenio.json (-)-cis-rotenone|(-)-rotenone|(12aS,6aS,2R)-8,9-dimethoxy-2-(1-methylvinyl)-1,2-dihydrochromano[3,4-b]furano [2,3-h]chroman-6-one|(2R,6aS,12aS)-8,9-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromen-6(6aH)-one|5'beta-rotenone|Derris|Rotenone|[2R-(2alpha,6aalpha,12aalpha)]-1,2,12,12a-tetrahydro-8,9-dimethoxy-2-(1-methylethenyl)[1]benzopyrano[3,4-b]furo[2,3-H][1]benzopyran-6(6aH)-one|barbasco|canex|dactinol|noxfire|paraderil|tubatoxin http://purl.obolibrary.org/obo/CHEBI_28201 3_STAR
CHEBI:28203 biolink:ChemicalSubstance N-acetyl-D-phenylalanine Beilstein:2213852|CAS:10172-89-1|KEGG:C05620 phenio.json N-Acetyl-D-phenylalanine|N-acetyl-D-phenylalanine http://purl.obolibrary.org/obo/CHEBI_28203 3_STAR
CHEBI:28205 biolink:ChemicalSubstance phaseic acid CAS:24394-14-7|KEGG:C09707|KNApSAcK:C00003170|PMID:10456320|PMID:12081536|PMID:14663585|PMID:15381416|PMID:15971290|PMID:16661176|PMID:16662852|PMID:16663536|PMID:16663564|PMID:16665009|PMID:16666353|PMID:19888743|PMID:5373535|PMID:5373536 phenio.json (-)-Phaseic acid|(2Z,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-3-methylpenta-2,4-dienoic acid|(7E,9Z)-(1R,5R,6S)-5,16-epoxy-6-hydroxy-3-oxo-5,6-dihydro-11-apo-beta-caroten-11-oic acid|Phaseic acid http://purl.obolibrary.org/obo/CHEBI_28205 3_STAR
CHEBI:28206 biolink:ChemicalSubstance 2'-hydroxyisoflavones Any hydroxyisoflavone which has a hydroxy group at the 2-position of the phenyl substituent. KEGG:C02921|MetaCyc:2-Hydroxyisoflavones phenio.json 2'-Hydroxyisoflavone|a 2'-hydroxyisoflavone http://purl.obolibrary.org/obo/CHEBI_28206 3_STAR
CHEBI:28207 biolink:ChemicalSubstance D-galactosamine 1-phosphate A galactosamine phosphate that is D-galactosamine substituted at position 1 by a monophosphate group. CAS:26401-96-7|KEGG:C03783|PMID:20400541|PMID:2350539|Reaxys:15596240 phenio.json 2-amino-2-deoxy-1-O-phosphono-D-galactopyranose|D-Galactosamine 1-phosphate|Galn-1-P http://purl.obolibrary.org/obo/CHEBI_28207 3_STAR
CHEBI:28209 biolink:ChemicalSubstance 5(S)-HETE A HETE having a (5S)-hydroxy group and (6E)-, (8Z)-, (11Z)- and (14Z)-double bonds. CAS:70608-72-9|HMDB:HMDB0011134|KEGG:C04805|KNApSAcK:C00000423|LIPID_MAPS_instance:LMFA03060002|PMID:10987416|PMID:3460103|PMID:3592413|Reaxys:4691533|Wikipedia:5-Hydroxyeicosatetraenoic_acid phenio.json (5S,6E,8Z,11Z,14Z)-5-hydroxyeicosa-6,8,11,14-tetraenoic acid|(5S,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid|(6E,8Z,11Z,14Z)-(5S)-5-Hydroxyicosa-6,8,11,14-tetraenoic acid|(S)-(E,Z,Z,Z)-5-hydroxyeicosa-6,8,11,14-tetraenoic acid|5(S)-HETE|5(S)-hydroxy-6(E),8(Z),11(Z),14(Z)-eicosatetraenoic acid|5(S)-hydroxyeicosatetraenoic acid|5-Hydroxyeicosatetraenoate|5S-HETE|6,8,11,14-Eicosatetraenoic acid, 5-hydroxy-, (S-(E,Z,Z,Z))- http://purl.obolibrary.org/obo/CHEBI_28209 3_STAR
CHEBI:28217 biolink:ChemicalSubstance acrylonitrile A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an ethenyl group. CAS:107-13-1|KEGG:C01998|PDBeChem:6AC|PMID:12075111|PMID:23043843|PMID:24248151|PMID:28782019|PMID:28965700|PMID:29217572|PMID:29713581|PMID:8330351|PMID:9598299|PPDB:2545|Reaxys:605310|UM-BBD_compID:c0148 phenio.json 2-propenenitrile|Acrylnitril|Acrylonitrile|Acrylsaeurenitril|Propenenitrile|Vinyl cyanide|acrylonitrile|cyanure de vinyle|nitrile acrylique http://purl.obolibrary.org/obo/CHEBI_28217 3_STAR
CHEBI:28220 biolink:ChemicalSubstance 2,6-dihydroxypseudooxynicotine A dihydroxypyridine that is pseudooxynicotine in which the hydrogens at positions 2 and 6 on the pyridine ring are substituted by hydroxy groups. KEGG:C15986|MetaCyc:CPD-113|Reaxys:394128|UM-BBD_compID:c0469 phenio.json 1-(2,6-dihydroxypyridin-3-yl)-4-(methylamino)butan-1-one http://purl.obolibrary.org/obo/CHEBI_28220 3_STAR
CHEBI:28222 biolink:ChemicalSubstance 1,2,4-trichlorobenzene A trichlorobenzene with chloro substituents at positions 1, 2 and 4. CAS:120-82-1|Gmelin:261300|KEGG:C06594|MetaCyc:124-TCB|PMID:16271379|Reaxys:956819|UM-BBD_compID:c0465|Wikipedia:1,2,4-Trichlorobenzene phenio.json 1,2,4-Trichlorbenzol|1,2,4-Trichlorobenzene|1,2,4-trichlorobenzene|1,2,5-trichlorobenzene|Trichlorobenzene A|as-trichlorobenzene|unsym-trichlorobenzene http://purl.obolibrary.org/obo/CHEBI_28222 3_STAR
CHEBI:28225 biolink:ChemicalSubstance D-leucine The D-enantiomer of leucine. CAS:328-38-1|DrugBank:DB01746|Gmelin:82675|HMDB:HMDB0013773|KEGG:C01570|PDBeChem:DLE|PMID:15375647|PMID:21941889|PMID:24097941|Reaxys:1721721|YMDB:YMDB00997 phenio.json (2R)-2-amino-4-methylpentanoic acid|(R)-(-)-leucine|(R)-leucine|D-2-Amino-4-methylvaleric acid|D-LEUCINE|D-Leucin|D-Leucine|D-Leuzin|D-leucine|DLE http://purl.obolibrary.org/obo/CHEBI_28225 3_STAR
CHEBI:28228 biolink:ChemicalSubstance S-acetylphosphopantotheine Beilstein:6784226|KEGG:C03725 phenio.json S-Acetylphosphopantetheine|S-[2-({N-[2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] ethanethioate http://purl.obolibrary.org/obo/CHEBI_28228 3_STAR
CHEBI:28229 biolink:ChemicalSubstance N(omega)-methyl-L-arginine A L-arginine derivative with a N(omega)-methyl substituent. Beilstein:2262067|CAS:17035-90-4|KEGG:C03884|PDBeChem:NMM phenio.json (2S)-2-amino-5-(N'-methylcarbamimidamido)pentanoic acid|(2S)-2-amino-5-{[imino(methylamino)methyl]amino}pentanoic acid|L-NMMA|L-monomethylarginine|N(5)-(N-methylcarbamimidoyl)-L-ornithine|N(5)-(methylamidino)-L-ornithine|N(5)-(metilamidino)-L-ornitina|N(5)-[imino(methylamino)methyl]-L-ornithine|N(G)-monomethyl-L-arginine|N-monomethyl-L-arginine|Ngamma-Monomethyl-L-arginine|acide (2S)-2-amino-5-(3-methylguanidino)pentanoique|omega-N-methylarginine|omega-N-monomethylarginine|targinina|targinine|targininum|tilarginina|tilarginine|tilargininum http://purl.obolibrary.org/obo/CHEBI_28229 3_STAR
CHEBI:28230 biolink:ChemicalSubstance hesperetin A trihydroxyflavanone having the three hydroxy gropus located at the 3'-, 5- and 7-positions and an additional methoxy substituent at the 4'-position. CAS:520-33-2|DrugBank:DB01094|Drug_Central:1362|HMDB:HMDB0005782|KEGG:C01709|KNApSAcK:C00000968|LINCS:LSM-20933|LIPID_MAPS_instance:LMPK12140003|MetaCyc:CPD-7072|PMID:16964766|PMID:22409373|PMID:22794525|PMID:22899565|PMID:22903244|Reaxys:92705|Wikipedia:Hesperetin phenio.json (-)-(S)-hesperetin|(-)-hesperetin|(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one|(2S)-hesperetin|(S)-2,3-dihydro-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one|3',5,7-Trihydroxy-4'-methoxyflavanone|Hesperetin http://purl.obolibrary.org/obo/CHEBI_28230 3_STAR
CHEBI:28233 biolink:ChemicalSubstance 2,4,6-trihydroxybenzophenone A benzenetriol that is benzophenone in which one of the phenyl groups is substituted at by hydroxy groups at positions 2, 4, and 6. CAS:3555-86-0|KEGG:C06356|MetaCyc:CPD-6881|PMID:12795704|PMID:19699497|PMID:22390826|Reaxys:2054361 phenio.json 2,4,6-Trihydroxybenzophenone|phenyl(2,4,6-trihydroxyphenyl)methanone http://purl.obolibrary.org/obo/CHEBI_28233 3_STAR
CHEBI:28235 biolink:ChemicalSubstance p-methoxybenzaldehyde A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4. CAS:123-11-5|HMDB:HMDB0029686|KEGG:C10761|KNApSAcK:C00002636|PMID:20809147|PMID:22502535|PMID:22610435|PMID:24817361|PMID:27081359|PMID:27333544|PMID:28190358|PMID:28534578|PMID:28846628|PMID:28892803|PMID:29029251|PMID:29029346|Reaxys:471382|Wikipedia:Anisaldehyde phenio.json 4-Anisaldehyde|4-Methoxy-Benzaldehyde|4-methoxybenzaldehyde|Anisal|Para-Anisaldehyde|p-Anisaldehyde|p-Anisic aldehyde|p-Formylanisole|p-Methoxybenzaldehyde http://purl.obolibrary.org/obo/CHEBI_28235 3_STAR
CHEBI:28240 biolink:ChemicalSubstance dichloroacetate A monocarboxylic acid anion that is the conjugate base of dichloroacetic acid. CAS:13425-80-4|Gmelin:200685|MetaCyc:CPD-9674|PMID:21153705|Reaxys:3903873|UM-BBD_compID:c0012 phenio.json dichloracetate|dichloroacetate|dichloroacetate ion|dichloroacetic acid ion(1-) http://purl.obolibrary.org/obo/CHEBI_28240 3_STAR
CHEBI:28241 biolink:ChemicalSubstance papaverine A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum. CAS:58-74-2|DrugBank:DB01113|Drug_Central:2056|HMDB:HMDB0015245|KEGG:C06533|KEGG:D07425|KNApSAcK:C00001899|KNApSAcK:C00027467|LINCS:LSM-2338|MetaCyc:CPD-15742|PDBeChem:EV1|PMID:11971205|PMID:24414229|Reaxys:312930|Wikipedia:Papaverine phenio.json 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline http://purl.obolibrary.org/obo/CHEBI_28241 3_STAR
CHEBI:28245 biolink:ChemicalSubstance (S)-2-amino-6-oxopimelic acid CAS:75650-93-0|KEGG:C03871|PDBeChem:26P phenio.json (2S)-2-amino-6-oxoheptanedioic acid|(S)-2-amino-6-oxoheptanedioic acid|2-AMINO-6-OXOPIMELIC ACID|L-2-Amino-6-oxoheptanedioate|L-2-Amino-6-oxopimelate|L-alpha-amino-epsilon-keto-pimelic acid http://purl.obolibrary.org/obo/CHEBI_28245 3_STAR
CHEBI:28247 biolink:ChemicalSubstance 11beta-hydroxyprogesterone A 11beta-hydroxy steroid that is progesterone substituted by a beta-hydroxy group at position 11. CAS:600-57-7|HMDB:HMDB0004031|KEGG:C05498|LIPID_MAPS_instance:LMST02030168|PMID:1022526|PMID:13252188|PMID:3546944|Reaxys:2062114 phenio.json (11beta)-11-hydroxypregn-4-ene-3,20-dione|11beta-Hydroxyprogesterone|11beta-hydroxypregn-4-ene-3,20-dione|21-deoxycorticosterone http://purl.obolibrary.org/obo/CHEBI_28247 3_STAR
CHEBI:2825 biolink:ChemicalSubstance aristolochic acid A An aristolochic acid that is phenanthrene-1-carboxylic acid that is substituted by a methylenedioxy group at the 3,4 positions, by a methoxy group at position 8, and by a nitro group at position 10. It is the most abundant of the aristolochic acids and is found in almost all Aristolochia (birthworts or pipevines) species. It has been tried in a number of treatments for inflammatory disorders, mainly in Chinese and folk medicine. However, there is concern over their use as aristolochic acid is both carcinogenic and nephrotoxic. CAS:313-67-7|KEGG:C08469|KNApSAcK:C00001526|KNApSAcK:C00027516|LINCS:LSM-2373|PMID:21558304|PMID:21719716|PMID:22071594|PMID:22118289|PMID:22126455|PMID:22245565|PMID:22373701|Reaxys:345159|Wikipedia:Aristolochic_acid phenio.json 3,4-methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid|8-methoxy-6-nitro-2H-phenanthro[3,4-d][1,3]dioxole-5-carboxylic acid|8-methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid|8-methoxy-6-nitrophenanthro[3,4-d][1,3]dioxole-5-carboxylic acid|AAA|Aristolochic acid|Aristolochic acid I|aristolochic acid A|aristolochic acid-I|aristolochin http://purl.obolibrary.org/obo/CHEBI_2825 3_STAR
CHEBI:28250 biolink:ChemicalSubstance 6-O-acetyl-beta-D-galactoside KEGG:C03773 phenio.json 6-Acetyl-beta-D-galactoside|6-O-acetyl-beta-D-galactosides|a 6-acetyl-beta-D-galactoside http://purl.obolibrary.org/obo/CHEBI_28250 3_STAR
CHEBI:28255 biolink:ChemicalSubstance N-glycolyl-D-mannosamine KEGG:C03521 phenio.json 2-deoxy-2-[(hydroxyacetyl)amino]-D-mannose|Glycolyl-D-mannosamine|N-Glycolyl-D-mannosamine|N-glycolyl-D-mannosamine http://purl.obolibrary.org/obo/CHEBI_28255 3_STAR
CHEBI:28257 biolink:ChemicalSubstance N-acetyl-alpha-D-galactosaminide KEGG:C04134 phenio.json N-Acetyl-alpha-D-galactosaminide|N-acetyl-alpha-D-galactosaminides|an N-acetyl-alpha-D-galactosaminyl derivative http://purl.obolibrary.org/obo/CHEBI_28257 3_STAR
CHEBI:28258 biolink:ChemicalSubstance vomifoliol A fenchane monoterpenoid that is 3,5,5-trimethylcyclohex-2-en-1-one substituted by a hydroxy and a (1E)-3-hydroxybut-1-en-1-yl group at position 4. Beilstein:2331902|KEGG:C04166|PMID:24436000|PMID:24949478|PMID:25282893|PMID:25918779|Reaxys:2331902 phenio.json (+/-)-6-Hydroxy-3-oxo-alpha-ionol|(+/-)-6-hydroxy-3-oxo-alpha-ionol|4-hydroxy-4-[(1E)-3-hydroxybut-1-en-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one|Vomifoliol http://purl.obolibrary.org/obo/CHEBI_28258 3_STAR
CHEBI:28259 biolink:ChemicalSubstance (S)-3-hydroxyisobutyryl-CoA A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxyisobutyric acid. HMDB:HMDB0001052|KEGG:C06000|PMID:17160907 phenio.json (S)-3-Hydroxyisobutyryl-CoA|(S)-3-hydroxy-2-methylpropanoyl-coenzyme A|(S)-3-hydroxy-2-methylpropionyl-coenzyme A|(S)-3-hydroxyisobutanoyl-CoA|(S)-3-hydroxyisobutanoyl-coenzyme A|(S)-3-hydroxyisobutyryl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(2S)-3-hydroxy-2-methylpropanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_28259 3_STAR
CHEBI:28260 biolink:ChemicalSubstance galactose An aldohexose that is the C-4 epimer of glucose. CAS:26566-61-0|KEGG:C01582|Wikipedia:Galactose phenio.json Gal|Galactose|Galaktose|galacto-hexose|galactose http://purl.obolibrary.org/obo/CHEBI_28260 3_STAR
CHEBI:28261 biolink:ChemicalSubstance (+)-alpha-pinene The (+)-enantiomer of alpha-pinene. CAS:7785-70-8|HMDB:HMDB0006525|KEGG:C06306|LIPID_MAPS_instance:LMPR0102120012|MetaCyc:CPD-8754|PDBeChem:TMH|Reaxys:2038653 phenio.json (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE|(+)-alpha-Pinene|(1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|(1R,5R)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|(1R,5R)-alpha-pinene|(1R,5R)-pin-2-ene|alpha-Pinene(dextro) http://purl.obolibrary.org/obo/CHEBI_28261 3_STAR
CHEBI:28262 biolink:ChemicalSubstance dimethyl sulfoxide A 2-carbon sulfoxide in which the sulfur atom has two methyl substituents. CAS:67-68-5|Chemspider:659|DrugBank:DB01093|Drug_Central:906|FooDB:FDB000764|Gmelin:1556|HMDB:HMDB0002151|KEGG:C11143|KEGG:D01043|KNApSAcK:C00053120|LINCS:LSM-36361|MetaCyc:DMSO|PDBeChem:DMS|PMID:10298633|PMID:11162043|PMID:11350866|PMID:11474739|PMID:12663039|PMID:15237653|PMID:15588915|PMID:15868171|PMID:16434015|PMID:16522014|PMID:19096138|PMID:19382398|PMID:19443933|PMID:20828537|PMID:21426213|PMID:22030943|PMID:22722716|PMID:22768202|PMID:22814967|PMID:23050031|PMID:23313473|PMID:28220525|PMID:29938311|PMID:31489176|PMID:3510103|PMID:3898376|PMID:3916302|PMID:4223708|PMID:4556944|PMID:4963226|PMID:6309056|PMID:6379027|Reaxys:506008|UM-BBD_compID:c0236|Wikipedia:Dimethyl_sulfoxide phenio.json (CH3)2SO|(methanesulfinyl)methane|DIMETHYL SULFOXIDE|DMSO|Dimethyl sulfoxide|Dimethylsulfoxid|S(O)Me2|dimethyl sulfoxide|dimethyl sulfur oxide|dimethyl sulphoxide|dimethyli sulfoxidum|dimethylsulfoxyde|dimetil sulfoxido|dmso|methylsulfinylmethane|sulfinylbis(methane) http://purl.obolibrary.org/obo/CHEBI_28262 3_STAR
CHEBI:28263 biolink:ChemicalSubstance 2,3,5-trichlorobenzene-1,4-diol A member of the class of chlorohydroquinones that is hydroquinone in which three of the four hydrogens attached to the benzene ring have been replaced by chlorines. CAS:608-94-6|KEGG:C07099|KNApSAcK:C00007486|MetaCyc:236-TRICHLOROHYDROQUINONE|PMID:1459949|PMID:1731793|PMID:17956123|PMID:18275157|UM-BBD_compID:c0328 phenio.json 2,3,5-trichloro-p-hydroquinone|2,3,5-trichlorobenzene-1,4-diol|2,3,5-trichlorohydroquinone|2,3,6-Trichlorohydroquinone|2,3,6-trichloro-p-hydroquinone|trichlorohydroquinone http://purl.obolibrary.org/obo/CHEBI_28263 3_STAR
CHEBI:28264 biolink:ChemicalSubstance 3-oxooctanoyl-CoA An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxooctanoic acid. HMDB:HMDB0003941|KEGG:C05267|PMID:344310|Reaxys:11066711 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3-Oxooctanoyl-CoA|3-ketooctanoyl-CoA|3-ketooctanoyl-coenzyme A|3-oxooctanoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28264 3_STAR
CHEBI:28266 biolink:ChemicalSubstance fluorene An ortho-fused tricyclic hydrocarbon that is a major component of fossil fuels and their derivatives CAS:86-73-7|Chemspider:6592|FooDB:FDB007671|Gmelin:28451|KEGG:C07715|MetaCyc:FLUORENE|PDBeChem:9FL|PMID:15120562|PMID:15800860|PMID:16539455|PMID:17129129|PMID:17243671|PMID:17285163|PMID:17824593|PMID:19060398|PMID:21110374|PMID:21478643|PMID:23202077|PMID:24584240|PMID:24889657|PMID:28409789|Reaxys:1363491|UM-BBD_compID:c0388|Wikipedia:Fluorene phenio.json 2,2'-Methylenebiphenyl|2,3-benzindene|9H-fluorene|Diphenylenemethane|Fluoren|Fluorene|fluorene|o-biphenylenemethane|o-biphenylmethane http://purl.obolibrary.org/obo/CHEBI_28266 3_STAR
CHEBI:28272 biolink:ChemicalSubstance beta-L-arabinofuranose Beilstein:5242094|DrugBank:DB03246|GlyTouCan:G64007OP phenio.json WURCS=2.0/1,1,0/[a211h-1b_1-4]/1/|beta-L-arabinofuranose http://purl.obolibrary.org/obo/CHEBI_28272 3_STAR
CHEBI:28273 biolink:ChemicalSubstance aldehydo-N-acetyl-D-mannosamine 6-phosphate An aldehydo-N-acyl-D-mannosamine 6-phosphate that has acetyl as the acyl group. KEGG:C04257 phenio.json 2-acetamido-2-deoxy-6-O-phosphono-D-mannose|2-acetamido-2-deoxy-D-mannose 6-(dihydrogen phosphate)|N-Acetyl-D-mannosamine 6-phosphate|N-Acetylmannosamine 6-phosphate http://purl.obolibrary.org/obo/CHEBI_28273 3_STAR
CHEBI:28276 biolink:ChemicalSubstance (S)-3-hydroxyhexanoyl-CoA A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxyhexanoyl-CoA. KEGG:C05268|LIPID_MAPS_instance:LMFA07050017 phenio.json (S)-3-Hydroxyhexanoyl-CoA|(S)-3-hydroxycaproyl-CoA|(S)-3-hydroxycaproyl-coenzyme A|(S)-Hydroxyhexanoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyhexanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-hydroxyhexanoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28276 3_STAR
CHEBI:28277 biolink:ChemicalSubstance brassinolide BPDB:1724|Beilstein:3633298|CAS:72962-43-7|KEGG:C08814|KNApSAcK:C00000176|LIPID_MAPS_instance:LMST01140001 phenio.json (22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-6,7-seco-5alpha-campestano-6,7-lactone|(22R,23R)-2alpha,3alpha,22,23-tetrahydroxy-7a-homo-7-oxa-5alpha-campestan-6-one|Brassinolide|brassinolide http://purl.obolibrary.org/obo/CHEBI_28277 3_STAR
CHEBI:28279 biolink:ChemicalSubstance 6-methylthiopurine A thiopurine that is 9H-purine substituted by a methylsulfanyl group at position 6. CAS:50-66-8|HMDB:HMDB0060412|KEGG:C16614|PDBeChem:XQG|PMCID:PMC2203228|PMID:10344752|PMID:11218242|PMID:15107925|PMID:16880012|PMID:21122558|PMID:21561141|PMID:23666567|PMID:27496503|PMID:27859568|PMID:30318058|PMID:32867649|PMID:33636909|PMID:37621013|PMID:38386080 phenio.json 6-(methylsulfanyl)-9H-purine|6-(methylthio)-9H-purine|6-(methylthio)purine|6-methylmercaptopurine|6-methylthiopurine|S-methyl-6-mercaptopurine|thiopurine S-methylether http://purl.obolibrary.org/obo/CHEBI_28279 3_STAR
CHEBI:28282 biolink:ChemicalSubstance N-benzyloxycarbonyl-L-leucine A L-leucine derivative obtained by the substitution of a benzyloxycarbonyl group on the nitrogen atom. CAS:2018-66-8|KEGG:C04335 phenio.json Carbobenzoxy-L-leucine|Carbobenzyloxy-L-leucine|N(alpha)-Benzyloxycarbonyl-L-leucine|N-((Phenylmethoxy)carbonyl)-L-leucine|N-benzyloxycarbonyl-L-leucine http://purl.obolibrary.org/obo/CHEBI_28282 3_STAR
CHEBI:28283 biolink:ChemicalSubstance capsidiol An eremophilane sesquiterpenoid that is (+)-5-epi-aristolochene bearing additional 1beta- and 3alpha-hydroxy substituents. It is a phytoalexin produced in Nicotiana and Capsicum plant species in response to pathogen attack. AGR:IND22792720|AGR:IND43633624|AGR:IND44026531|AGR:IND44039864|AGR:IND82057124|Beilstein:2331764|CAS:37208-05-2|FooDB:FDB014812|HMDB:HMDB0002352|KEGG:C09627|KNApSAcK:C00003108|LIPID_MAPS_instance:LMPR0103250002|MetaCyc:CPD-4661|PMID:12009313|PMID:12135497|PMID:15497966|PMID:18066498|PMID:19420326|PMID:20822656|PMID:24178358|PMID:24367019|PMID:25203155|PMID:29929021|PMID:31294452|PMID:31864296|PMID:32694584|PMID:33124100|PMID:34395763|PMID:8316587|PMID:9816674|Wikipedia:Capsidiol phenio.json (1R,3R,4S,4aR,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol|(1R,3R,4S,4aR,6R)-6-isopropenyl-4,4a-dimethyl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,3-diol|1beta,3alpha,4betaH-eremophila-9,11-diene-1,3-diol|Capsidiol|capsidiol http://purl.obolibrary.org/obo/CHEBI_28283 3_STAR
CHEBI:28285 biolink:ChemicalSubstance oligomycin A An oligomycin with formula C45H74011. An inhibitor of mitochondrial F1FO ATP synthase that induces apoptosis in a variety of cell types and exhibits antifungal, antitumour, and nematicidal activities, but its clinical application has been limited by poor solubility in water and other biocompatible solvents. CAS:579-13-5|KEGG:C11311|LINCS:LSM-43230|LINCS:LSM-43272|LINCS:LSM-43347|MetaCyc:CPD-21956|PDBeChem:EFO|PMID:22869738|PMID:233519|PMID:24084683|PMID:25849761|PMID:28420869|PMID:29650704|Reaxys:5702132 phenio.json (1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione|Oligomycin A|RP-32705 http://purl.obolibrary.org/obo/CHEBI_28285 3_STAR
CHEBI:28293 biolink:ChemicalSubstance (S)-1-aminopropan-2-yl phosphate KEGG:C04126 phenio.json (1S)-2-amino-1-methylethyl dihydrogen phosphate|(2S)-1-aminopropan-2-yl dihydrogen phosphate|(S)-1-Aminopropan-2-yl phosphate|L-1-Aminopropan-2-ol O-phosphate http://purl.obolibrary.org/obo/CHEBI_28293 3_STAR
CHEBI:28295 biolink:ChemicalSubstance 2-deoxystreptamine An amino cyclitol consisting of scyllo-inositol with the hydroxy groups at positions 1 and 3 replaced by unsubstituted amino groups and that at position 2 replaced by hydrogen. CAS:2037-48-1|KEGG:C02627|MetaCyc:CPD-10151|PDBeChem:CYY|PMID:23108876|PMID:24440302|Reaxys:2802188 phenio.json (1R,2r,3S,4R,6S)-4,6-diaminocyclohexane-1,2,3-triol|2-Deoxystreptamine|2-Desoxystreptamine|4,6-diamino-1,2,3-cyclohexanetriol|Deoxystreptamine http://purl.obolibrary.org/obo/CHEBI_28295 3_STAR
CHEBI:28297 biolink:ChemicalSubstance hydantoin-5-propionic acid A imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4. CAS:5624-26-0|HMDB:HMDB0001212|KEGG:C05565|PMID:13960896|PMID:3760095|PMID:5835442|Reaxys:83925 phenio.json 3-(2,5-dioxoimidazolidin-4-yl)propanoic acid http://purl.obolibrary.org/obo/CHEBI_28297 3_STAR
CHEBI:28299 biolink:ChemicalSubstance quercetin 3-O-beta-D-glucofuranoside A quercetin O-glucoside in which a glucofuranosyl residue is attached at position 3 of quercetin via a beta-glycosidic linkage. CAS:21637-25-2|KEGG:C05623|Reaxys:1444784 phenio.json 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucofuranoside|3,3',4',5,7-Pentahydroxyflavone 3-beta-D-glucofuranoside|Isoquercitrin|Isoquercitroside|Isotrifoliin|Quercetin 3-O-glucoside http://purl.obolibrary.org/obo/CHEBI_28299 3_STAR
CHEBI:28300 biolink:ChemicalSubstance glutamine An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4. CAS:585-21-7|CAS:6899-04-3|Gmelin:27318|KEGG:C00303|KNApSAcK:C00001359|Reaxys:1723795|Wikipedia:Glutamine phenio.json 2,5-diamino-5-oxopentanoic acid|2-Aminoglutaramic acid|2-amino-4-carbamoylbutanoic acid|Glutamin|Glutamine|Glutaminsaeure-5-amid|Hgln|glutamic acid gamma-amide|glutamine http://purl.obolibrary.org/obo/CHEBI_28300 3_STAR
CHEBI:28302 biolink:ChemicalSubstance glucuronoarabinoxylan phenio.json http://purl.obolibrary.org/obo/CHEBI_28302 1_STAR
CHEBI:28303 biolink:ChemicalSubstance 2-chlorobenzoate A chlorobenzoate carrying the chloro group at position 2. Gmelin:131215|KEGG:C02357|MetaCyc:CPD-256|Reaxys:1869218|UM-BBD_compID:c0355 phenio.json 2-chlorobenzoate|o-chlorobenzoate|oCl-benzoate anion http://purl.obolibrary.org/obo/CHEBI_28303 3_STAR
CHEBI:28304 biolink:ChemicalSubstance heparin A highly sulfated linear glycosaminoglycan comprising complex patterns of uronic acid-(1->4)-D-glucosamine repeating subunits. Used as an injectable anticoagulant, it has the highest negative charge density of any known biological molecule. CAS:9005-49-6|DrugBank:DB01109|KEGG:C00374|KEGG:D07510|PMID:16860191|PMID:18809206|PMID:8713797|Wikipedia:Heparin phenio.json Bemiparin|Certoparin|Cy 222|Enoxaparin|Fluxum|Heparin|Heparinic acid|Parnaparin|Reviparin|Sandoparin|heparin|heparina|heparine|heparinum http://purl.obolibrary.org/obo/CHEBI_28304 3_STAR
CHEBI:28306 biolink:ChemicalSubstance semicarbazide A monocarboxylic acid amide that is urea where one of the amino groups has been replaced with hydrazine. CAS:57-56-7|Gmelin:100758|KEGG:C02077|MetaCyc:SEMICARBAZIDE|PMID:11958526|PMID:17499072|PMID:23194563|PMID:23683401|Reaxys:506319|Wikipedia:Semicarbazide phenio.json Aminoharnstoff|Aminourea|Carbamidsaeurehydrazid|Carbamoylhydrazine|Hydrazinecarboxamide|Semicarbazide|Semikarbazid|carbamylhydrazine|carbazamide|hydrazinecarboxamide http://purl.obolibrary.org/obo/CHEBI_28306 3_STAR
CHEBI:28307 biolink:ChemicalSubstance precorrin-3A The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which three methyl groups have been introduced at positions 2, 7 and 20 of the tetrapyrrole framework. Beilstein:7070339|KEGG:C05772 phenio.json 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13,15-trimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoic acid|Precorrin 3A http://purl.obolibrary.org/obo/CHEBI_28307 3_STAR
CHEBI:28310 biolink:ChemicalSubstance 1D-3-O-methyl-myo-inositol A member of the class of methyl myo-inositols that is cyclohexane-1,2,3,4,5-pentol substituted by a methoxy group at position 6 (the 1S,2R,3R,4S,5S,6R-isomer). KEGG:C03660|PMID:17190443|Reaxys:2043790 phenio.json (1S,2R,3R,4S,5S,6R)-6-methoxycyclohexane-1,2,3,4,5-pentol|1D-3-O-Methyl-myo-inositol|1D-3-O-methyl-myo-inositol|3-O-Methyl-myo-inositol http://purl.obolibrary.org/obo/CHEBI_28310 3_STAR
CHEBI:28311 biolink:ChemicalSubstance indol-3-ylacetaldehyde oxime An aldoxime resulting from the formal condensation of the aldehyde moiety of indol-3-ylacetaldehyde with hydroxylamine. AGR:IND608026231|CAS:2776-06-9|KNApSAcK:C00000110|PMID:35631729|PMID:37105378|PMID:37233670|PMID:37366635|PMID:37547917|PMID:38089848|PMID:38102832|Reaxys:1528281 phenio.json (indol-3-yl)acetaldehyde oxime|1H-indol-3-ylacetaldehyde oxime|IAOx|Indole-3-acetaldoxime|N-[2-(1H-indol-3-yl)ethylidene]hydroxylamine|indol-3-ylacetaldoxime|indole-3-acetaldehyde oxime http://purl.obolibrary.org/obo/CHEBI_28311 3_STAR
CHEBI:28312 biolink:ChemicalSubstance chlorhexidine gluconate Beilstein:4348068|CAS:18472-51-0|KEGG:D00858 phenio.json 1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide), digluconate|Hibiclens|N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]--D-gluconic acid (1/2)|Peridex|chlorhexidine D-digluconate|chlorhexidine di-D-gluconate|chlorhexidine digluconate|chlorhexidine gluconate http://purl.obolibrary.org/obo/CHEBI_28312 3_STAR
CHEBI:28315 biolink:ChemicalSubstance alloxanthine A pyrazolopyrimidine that is 4,5,6,7-tetrahydro-H-pyrazolo[3,4-d]pyrimidine substituted by oxo groups at positions 4 and 6. BPDB:2154|CAS:2465-59-0|HMDB:HMDB0000786|KEGG:C07599|KEGG:D02365|PMID:18484017|PMID:23751350|PMID:24184830|PMID:24591375|Reaxys:139956|Wikipedia:Oxypurinol phenio.json 1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione|Alloxanthine|Oxipurinol|Oxoallopurinol|Oxypurinol http://purl.obolibrary.org/obo/CHEBI_28315 3_STAR
CHEBI:28317 biolink:ChemicalSubstance 3-aminobutyryl-CoA An aminobutanoyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-aminobutanoic acid. KEGG:C05117|PMID:17166837|PMID:7410315 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3-aminobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-Aminobutanoyl-CoA|3-aminobutanoyl-coenzyme A|3-aminobutyryl-CoA|3-aminobutyryl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28317 3_STAR
CHEBI:28319 biolink:ChemicalSubstance L-fucopyranose 1-phosphate Beilstein:4255068|KEGG:C02985 phenio.json 6-Deoxy-L-galactose 1-phosphate|6-deoxy-1-O-phosphono-L-galactopyranose|6-deoxy-L-galactopyranose 1-(dihydrogen phosphate)|L-Fucose 1-phosphate|L-fucopyranose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_28319 3_STAR
CHEBI:28324 biolink:ChemicalSubstance 11-deoxycortisol A deoxycortisol that is cortisol in which the hydroxy group at position 11 has been replaced by a hydrogen. CAS:152-58-9|HMDB:HMDB0000015|KEGG:C05488|KEGG:D03595|LIPID_MAPS_instance:LMST02030086|PMID:18958601|PMID:24863084|Reaxys:2511358|Wikipedia:Cortexolone phenio.json 11-Deoxycortisol|11-deoxycortisol|11-desoxy-17-hydroxycorticosterone|17,21-dihydroxypregn-4-ene-3,20-dione|Cortodoxone|cortodoxone http://purl.obolibrary.org/obo/CHEBI_28324 3_STAR
CHEBI:28325 biolink:ChemicalSubstance (S)-3-hydroxydecanoyl-CoA A 3-hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxydecanoic acid. CAS:79171-49-6|HMDB:HMDB0003938|KEGG:C05264|MetaCyc:CPD0-2244|PMID:15513944|PMID:19925642|PMID:2760034 phenio.json (S)-3-Hydroxydecanoyl-CoA|(S)-3-hydroxydecanoyl-coenzyme A|(S)-Hydroxydecanoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-Hydroxydecanoyl-coenzyme A|3-OH 10:0-CoA|3-OH C10:0-CoA|S-(3-hydroxydecanoyl)coenzyme A|beta-hydroxydecanoyl coenzyme A|beta-hydroxydecanoyl-CoA|coenzyme A S-3-hydroxydecanoate http://purl.obolibrary.org/obo/CHEBI_28325 3_STAR
CHEBI:28328 biolink:ChemicalSubstance D-galactosamine The D-stereoisomer of galactosamine. PMID:16530410|PMID:19067146|PMID:6196640|Wikipedia:Galactosamine phenio.json http://purl.obolibrary.org/obo/CHEBI_28328 3_STAR
CHEBI:28329 biolink:ChemicalSubstance trioxsalen 7H-Furo[3,2-g]chromen-7-one in which positions 2, 5, and 9 are substituted by methyl groups. Like other psoralens, trioxsalen causes photosensitization of the skin. It is administered orally in conjunction with UV-A for phototherapy treatment of vitiligo. After photoactivation it creates interstrand cross-links in DNA, inhibiting DNA synthesis and cell division, and can lead to cell injury; recovery from the cell injury may be followed by increased melanisation of the epidermis. Beilstein:221723|CAS:3902-71-4|DrugBank:DB04571|Drug_Central:2759|KEGG:C09314|KEGG:D01034|KNApSAcK:C00002502|LINCS:LSM-3223|Patent:US3201421|Wikipedia:Trioxsalen phenio.json 2',4,8-Trimethylpsoralen|2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one|4,5',8-Trimethylpsoralen|4,8,5'-Trimethylpsoralen|6-hydroxy-beta,2,7-trimethyl-5-benzofuranacrylic acid, delta-lactone|Trimethylpsoralen|Trioxsalen|Trioxysalen|trioxisaleno|trioxysalen|trioxysalene|trioxysalenum http://purl.obolibrary.org/obo/CHEBI_28329 3_STAR
CHEBI:28330 biolink:ChemicalSubstance 4-hydroxy-L-threonine A hydroxy-amino acid consisting of L-threonine having a hydroxy substituent at the 4-position. Beilstein:1722829|CAS:21768-45-6|KEGG:C06056|PDBeChem:TH6|Reaxys:1722829 phenio.json (2S,3S)-2-amino-3,4-dihydroxybutanoic acid|4-Hydroxy-L-threonine|4-hydroxy-L-threonine|hydroxythreonine http://purl.obolibrary.org/obo/CHEBI_28330 3_STAR
CHEBI:28340 biolink:ChemicalSubstance L-2-aminobutyrate Beilstein:4958536|Gmelin:958982|KEGG:C02356 phenio.json (2S)-2-aminobutanoate|(S)-2-Aminobutanoate http://purl.obolibrary.org/obo/CHEBI_28340 3_STAR
CHEBI:28349 biolink:ChemicalSubstance alpha-L-fucoside KEGG:C02475 phenio.json alpha-L-Fucoside|alpha-L-fucosides|an alpha-L-fucoside http://purl.obolibrary.org/obo/CHEBI_28349 3_STAR
CHEBI:28354 biolink:ChemicalSubstance 1-deoxy-D-xylulose KEGG:C06257|KNApSAcK:C00018095 phenio.json 1-Deoxy-D-xylulose|1-deoxy-D-threo-pent-2-ulose|1-deoxy-D-xylulose http://purl.obolibrary.org/obo/CHEBI_28354 3_STAR
CHEBI:28355 biolink:ChemicalSubstance adenosine 2',5'-bisphosphate phenio.json http://purl.obolibrary.org/obo/CHEBI_28355 1_STAR
CHEBI:28358 biolink:ChemicalSubstance rac-lactic acid A racemate comprising equimolar amounts of (R)- and (S)-lactic acid. CAS:50-21-5|DrugBank:DB04398|KEGG:C01432|KEGG:D00111|LIPID_MAPS_instance:LMFA01050002|PMID:17190852|PMID:29079364|Reaxys:1209341|Wikipedia:Lactic_acid phenio.json (+-)-2-hydroxypropanoic acid|2-Hydroxypropanoic acid|2-Hydroxypropionic acid|E270|Lactic acid|Milchsaeure|alpha-hydroxypropanoic acid|alpha-hydroxypropionic acid|rac-2-hydroxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_28358 3_STAR
CHEBI:28364 biolink:ChemicalSubstance all-cis-5,8,11,14,17-icosapentaenoic acid An icosapentaenoic acid having five cis-double bonds at positions 5, 8, 11, 14 and 17. CAS:10417-94-4|DrugBank:DB00159|Drug_Central:3174|HMDB:HMDB0001999|KEGG:C06428|KEGG:D08061|KNApSAcK:C00000408|KNApSAcK:C00001215|LIPID_MAPS_instance:LMFA01030759|MetaCyc:EICOSAPENTAENOATE|PDBeChem:EPA|PMID:12549599|PMID:18638380|PMID:19054597|PMID:21118482|PMID:21274596|PMID:23920312|PMID:24108131|PMID:24238887|PMID:24387137|PMID:24389665|PMID:9668087|Reaxys:1714433 phenio.json (5Z,8Z,11Z,14Z,17Z)-5,8,11,14,17-eicosapentaenoic acid|(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoate|(5Z,8Z,11Z,14Z,17Z)-Eicosapentaenoic acid|(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid|(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid|(all-Z)-5,8,11,14,17-eicosapentaenoic acid|5,8,11,14,17-EICOSAPENTAENOIC ACID|5,8,11,14,17-Icosapentaenoic acid|EPA|Eicosapentaenoic acid|Icosapentaenoic acid|Timnodonic acid|all-cis-5,8,11,14,17-eicosapentaenoic acid|all-cis-icosa-5,8,11,14,17-pentaenoic acid|cis, cis, cis, cis, cis-eicosa-5,8,11,14,17-pentaenoic acid|cis-5,8,11,14,17-EPA|cis-5,8,11,14,17-eicosapentaenoic acid|cis-Delta(5,8,11,14,17)-eicosapentaenoic acid|icosapent|icosapento|icosapentum http://purl.obolibrary.org/obo/CHEBI_28364 3_STAR
CHEBI:28368 biolink:ChemicalSubstance novobiocin A coumarin-derived antibiotic obtained from Streptomyces niveus. CAS:303-81-1|DrugBank:DB01051|Drug_Central:1974|HMDB:HMDB0015185|KEGG:C05080|KNApSAcK:C00002487|LINCS:LSM-5910|PDBeChem:NOV|PMID:17132020|PMID:18418407|PMID:19282394|PMID:19762445|PMID:20325309|PMID:21388139|PMID:22897434|PMID:26844397|PMID:26926630|PMID:27829510|PMID:27914946|PMID:28246042|PMID:28316592|PMID:9687383|Patent:WO2012049521|Patent:WO2012103487|Reaxys:1445842 phenio.json N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide|Novobiocin|novobiocina|novobiocine|novobiocinum http://purl.obolibrary.org/obo/CHEBI_28368 3_STAR
CHEBI:28379 biolink:ChemicalSubstance (R)-3-methyl-2-oxovaleric acid The (R)-enantiomer of 3-methyl-2-oxovaleric acid. Beilstein:1722135|KEGG:C06008|LIPID_MAPS_instance:LMFA01020280|PMID:1638756 phenio.json (3R)-2-oxo-3-methyl-n-valeric acid|(3R)-2-oxoisoleucine|(3R)-3-Methyl-2-oxopentanoic acid|(3R)-3-methyl-2-oxopentanoic acid|(R)-2-Oxo-3-methylpentanoate|(R)-2-Oxo-3-methylpentanoic acid|(R)-OMV|alpha-oxo-beta-methyl-n-valeric acid|alpha-oxo-beta-methylvaleric acid http://purl.obolibrary.org/obo/CHEBI_28379 3_STAR
CHEBI:28383 biolink:ChemicalSubstance alpha,omega-dicarboxylic acid KEGG:C04025 phenio.json alpha(omega)-Dicarboxylic acid|alpha,omega-Dicarboxylic acid|alpha,omega-dicarboxylic acids http://purl.obolibrary.org/obo/CHEBI_28383 3_STAR
CHEBI:28384 biolink:ChemicalSubstance vitamin K Any member of a group of fat-soluble 2-methyl-1,4-napthoquinones that exhibit biological activity against vitamin K deficiency. Vitamin K is required for the synthesis of prothrombin and certain other blood coagulation factors. CAS:12001-79-5|KEGG:C01628|MetaCyc:CPD-11501|PMID:26413183|PMID:33255760|PMID:34109217|Wikipedia:Vitamin_K phenio.json Vitamin K|vitamin K vitamer|vitamin K vitamers|vitamine K|vitamins K http://purl.obolibrary.org/obo/CHEBI_28384 3_STAR
CHEBI:28386 biolink:ChemicalSubstance 4-hydroxycinnamyl alcohol A primary alcohol being cinnamyl alcohol hydroxylated at C-4 of the phenyl ring. CAS:3690-05-9|KEGG:C02646|KNApSAcK:C00000613|PMID:21240761|PMID:24575890|Reaxys:1930679 phenio.json 4-(3-hydroxyprop-1-en-1-yl)phenol|4-Coumaryl alcohol|4-Hydroxycinnamyl alcohol|p-Coumaryl alcohol http://purl.obolibrary.org/obo/CHEBI_28386 3_STAR
CHEBI:28387 biolink:ChemicalSubstance (2-trans,6-cis)-dodeca-2,6-dienoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2-trans,6-cis)-dodeca-2,6-dienoic acid. KEGG:C05279 phenio.json (2-trans,6-cis)-dodeca-2,6-dienoyl-coenzyme A|(2t,6c)-dodecadienoyl-coenzyme A|(2t,6c)-lauro-2,6-dienoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E,6Z)-dodeca-2,6-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|trans,cis-2,6-laurodienoyl-coenzyme A|trans,cis-Lauro-2,6-dienoyl-CoA|trans,cis-lauro-2,6-dienoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28387 3_STAR
CHEBI:28390 biolink:ChemicalSubstance (R)-1-aminopropan-2-yl phosphate KEGG:C04122 phenio.json (1R)-2-amino-1-methylethyl dihydrogen phosphate|(2R)-1-aminopropan-2-yl dihydrogen phosphate|(R)-1-Aminopropan-2-yl phosphate|D-1-Aminopropan-2-ol O-phosphate http://purl.obolibrary.org/obo/CHEBI_28390 3_STAR
CHEBI:28393 biolink:ChemicalSubstance beta-D-glucosamine A 2-amino-2-deoxy-D-glucopyranose that is D-glucosamine having a beta-configuration at the anomeric position. CAS:14257-69-3|CAS:3416-24-8|GlyGen:G19577LJ|GlyTouCan:G19577LJ|Gmelin:720725|HMDB:HMDB0030091|KEGG:C08349|KNApSAcK:C00001121|MetaCyc:CPD-12539|PDBeChem:GCS|PMID:23817094|PMID:24455869|Reaxys:1723616 phenio.json 2-amino-2-deoxy-beta-D-glucopyranose|D-GLUCOSAMINE|WURCS=2.0/1,1,0/[a2122h-1b_1-5_2*N]/1/|beta-D-Glucosamine|beta-D-glucosamine http://purl.obolibrary.org/obo/CHEBI_28393 3_STAR
CHEBI:28394 biolink:ChemicalSubstance enol-oxaloacetic acid A dicarboxylic acid that is butenedioic acid in which the hydrogen at the 2-position is substituted by a hydroxy group. KEGG:C03981|LIPID_MAPS_instance:LMFA01170061|PDBeChem:Y3P|Reaxys:3661871 phenio.json (2Z)-2-hydroxybut-2-enedioic acid|2-Hydroxybut-2-enedioic acid|enol-Oxaloacetic acid|hydroxyfumaric acid http://purl.obolibrary.org/obo/CHEBI_28394 3_STAR
CHEBI:28395 biolink:ChemicalSubstance (+-)-trans-acenaphthene-1,2-diol Beilstein:2617350|Beilstein:2617351|CAS:2963-87-3|KEGG:C04167 phenio.json (+-)-trans-acenaphthene-1,2-diol|(+/-)-trans-Acenaphthene-1,2-diol|(+/-)-trans-acenaphthene-1,2-diol|rel-(1R,2R)-1,2-dihydroacenaphthylene-1,2-diol|trans-1,2-dihydro-1,2-acenaphthylenediol http://purl.obolibrary.org/obo/CHEBI_28395 3_STAR
CHEBI:28396 biolink:ChemicalSubstance 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-diacyl-sn-glycerol A digalactosylglycerol derivative in which the digalactosyl moiety is alpha-D-galactosyl-(1->6)-beta-D-galactosyl at O-3, with O-1 and O-2 both acylated. KEGG:C06037|LIPID_MAPS_instance:LMGL0501AD00 phenio.json 2,3-Di-O-acyl-1-O-(6-O-alpha-D-galactosyl-beta-D-galactosyl)-D-glycerol|3-[alpha-D-Galactosyl-(1->6)-beta-D-galactosyl]-1,2-diacyl-sn-glycerol|DGDG|Digalactosyl-diacylglycerol|a 1,2-diacyl-3-O-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-sn-glycerol http://purl.obolibrary.org/obo/CHEBI_28396 3_STAR
CHEBI:28397 biolink:ChemicalSubstance cis-4-hydroxy-L-proline L-Proline in which a hydrogen at the 4-position of the pyrrolidine ring is substituted by a hydroxy group (S-configuration). CAS:618-27-9|KEGG:C01015|PDBeChem:HZP|PMID:22770225|Reaxys:81440 phenio.json (2S,4S)-4-hydroxy-2-pyrrolidinecarboxylic acid|(4S)-4-hydroxy-L-proline|4-cis-L-hydroxyproline|L-allo-hydroxyproline|L-cis-4-hydroxyproline|allo-4-hydroxy-L-proline|cis-4-Hydroxy-L-proline http://purl.obolibrary.org/obo/CHEBI_28397 3_STAR
CHEBI:28398 biolink:ChemicalSubstance butan-2-one A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2. CAS:78-93-3|Gmelin:25656|HMDB:HMDB0000474|KEGG:C02845|LIPID_MAPS_instance:LMFA12000043|MetaCyc:MEK|PMID:20403429|PMID:23050457|Reaxys:741880|UM-BBD_compID:c0020|Wikipedia:Butanone phenio.json 2-Butanon|2-Butanone|3-butanone|Aethylmethylketon|C2H5COCH3|Ethyl methyl ketone|Ethylmethylketon|MEK|Methyl ethyl ketone|Methylethylketon|butan-2-one|butanone|butanone 2|ethyl methyl cetone|ethyl(methyl) ketone|ethylmethyl ketone|meetco|methyl acetone|methyl ethyl cetone|methyl(ethyl) ketone|methylacetone|methylethyl ketone|oxobutane http://purl.obolibrary.org/obo/CHEBI_28398 3_STAR
CHEBI:28401 biolink:ChemicalSubstance N-acetyl-D-glucosaminide KEGG:C03518 phenio.json N-Acetyl-D-glucosaminide|N-acetyl-D-glucosaminides http://purl.obolibrary.org/obo/CHEBI_28401 3_STAR
CHEBI:28411 biolink:ChemicalSubstance allicin Beilstein:1752823|CAS:539-86-6|KEGG:C07600|KNApSAcK:C00001242 phenio.json 2-Propene-1-sulfinothioic acid S-2-propenyl ester|Allicin|S-allyl prop-2-ene-1-sulfinothioate|thio-2-propene-1-sulfinic acid S-allyl ester http://purl.obolibrary.org/obo/CHEBI_28411 3_STAR
CHEBI:28412 biolink:ChemicalSubstance eriodictyol A tetrahydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' respectively. Beilstein:92358|CAS:552-58-9|KEGG:C05631|KNApSAcK:C00000960|LIPID_MAPS_instance:LMPK12140002|LIPID_MAPS_instance:LMPK12140432 phenio.json (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one|(S)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4-benzopyrone|(S)-eriodictyol|Eriodictiol|Eriodictyol http://purl.obolibrary.org/obo/CHEBI_28412 3_STAR
CHEBI:28413 biolink:ChemicalSubstance 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid KEGG:C04751|PDBeChem:C2R phenio.json 1-(5'-Phosphoribosyl)-4-carboxy-5-aminoimidazole|1-(5'-Phosphoribosyl)-5-amino-4-carboxyimidazole|1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxylate|1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate|5'-Phosphoribosyl-4-carboxy-5-aminoimidazole|5'-Phosphoribosyl-5-amino-4-imidazolecarboxylate|5-Amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate|5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_28413 3_STAR
CHEBI:28415 biolink:ChemicalSubstance hexacosan-1-ol A very long-chain primary fatty alcohol that is hexacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. AGR:IND607418673|AGR:IND607771787|CAS:506-52-5|CBA:357361|FooDB:FDB001482|HMDB:HMDB0243887|KEGG:C08381|KNApSAcK:C00001255|LIPID_MAPS_instance:LMFA05000002|PMID:12916085|PMID:15814229|PMID:18000340|PMID:18404565|PMID:19731141|PMID:21485271|PMID:21823454|PMID:27916676|PMID:28344474|PMID:29886159|PMID:36228969|PMID:36518632|PMID:7768265|Reaxys:1783162|Wikipedia:1-Hexacosanol phenio.json 1-hexacosanol|1-hydroxyhexacosane|Hexacosan-1-ol|cerotyl alcohol|ceryl alcohol|cerylic alcohol|hexacosan-1-ol|hexacosyl alcohol|n-hexacosanol http://purl.obolibrary.org/obo/CHEBI_28415 3_STAR
CHEBI:28416 biolink:ChemicalSubstance 5-hydroxyimidazole-4-acetic acid A hydroxyimidazole that is 5-hydroxyimidazole in which the hydrogen at position 4 is replaced by a carboxymethyl group. phenio.json (5-hydroxy-1H-imidazol-4-yl)acetic acid http://purl.obolibrary.org/obo/CHEBI_28416 3_STAR
CHEBI:28417 biolink:ChemicalSubstance gentamycin C CAS:11097-82-8|KEGG:C01918 phenio.json Gentamicin C http://purl.obolibrary.org/obo/CHEBI_28417 3_STAR
CHEBI:28422 biolink:ChemicalSubstance 3-oxohexanoic acid KEGG:C02122|LIPID_MAPS_instance:LMFA01060008 phenio.json 3-Oxohexanoate|3-Oxohexanoic acid|3-oxohexanoic acid http://purl.obolibrary.org/obo/CHEBI_28422 3_STAR
CHEBI:28424 biolink:ChemicalSubstance alpha-Neu5NAc-(2->8)-alpha-Neu5NAc-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer A sialodiosylceramide consisting of the tetrasaccharide alpha-Neu5NAc-(2->8)-alpha-Neu5NAc-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide. KEGG:C06133|KEGG:G00113|PMID:12019315|PMID:12032669|PMID:12058281|PMID:12770783|PMID:12950986|PMID:1371229|PMID:15207324|PMID:15896784|PMID:16081368|PMID:16341241|PMID:16434401|PMID:17043769|PMID:1724444|PMID:17855742|PMID:19726417|PMID:21149694|PMID:21376640|PMID:22936677|PMID:2303428|PMID:2448252|PMID:25748038|PMID:2604027|PMID:28424|PMID:3292056|PMID:3742610|PMID:6204642|PMID:6206564|PMID:6362854|PMID:7534889|PMID:7691279|PMID:7693874|PMID:8448384 phenio.json (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|(Gal)1 (Glc)1 (Neu5Ac)2 (Cer)1|(Neu5Ac)GD3|CD60a|GD3|GD3 ganglioside|Ganglioside GD3|Neu5Acalpha2->8Neu5Acalpha2->3Galbeta1->4Glcbeta1->1Cer|NeuAc(alpha2-8)NeuAc(alpha2-3)Gal(beta1-4)Glc(beta1-1)Cer|NeuAc-alpha2->8NeuAc-alpha2->3Gal-beta1->4Glc-beta1->1'Cer|NeuAc-alpha2->8NeuAc2->3Gal-beta1->4Glc-beta1->1'Cer|NeuAc-alpha2->8NeuAc2->3LacCer|NeuAc2-GD3|NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4Glcbeta1-1'Cer|alpha-N-Acetylneuraminyl-2,8-alpha-N-acetylneuraminyl-2,3-beta-D-galactosyl-1,4-beta-glucosyl-1,1'-ceramide|alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide|alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramides|alpha-Neu5NAc-(2->8)-alpha-Neu5NAc-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer|disialoganglioside GD3 http://purl.obolibrary.org/obo/CHEBI_28424 3_STAR
CHEBI:28425 biolink:ChemicalSubstance alpha-carotene A cyclic carotene with a beta- and an epsilon-ring at opposite ends respectively. Beilstein:2067408|Beilstein:3227599|CAS:432-70-2|HMDB:HMDB0003993|KEGG:C05433|KNApSAcK:C00003765|LIPID_MAPS_instance:LMPR01070258|PMID:23620017|PMID:24169341|PMID:9408998|Reaxys:2682045 phenio.json all-trans-alpha-carotene|alpha-Carotene|alpha-carotene|beta,epsilon-carotene http://purl.obolibrary.org/obo/CHEBI_28425 3_STAR
CHEBI:28426 biolink:ChemicalSubstance cyanidin 3-O-beta-D-glucoside An anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3. CAS:7084-24-4|HMDB:HMDB0030684|KEGG:C08604|KNApSAcK:C00002374|LIPID_MAPS_instance:LMPK12010110|Reaxys:1695615 phenio.json 2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl beta-D-glucopyranoside|Cyanidin 3-O-beta-D-glucoside|Cyanidin 3-O-glucoside http://purl.obolibrary.org/obo/CHEBI_28426 3_STAR
CHEBI:28427 biolink:ChemicalSubstance arabinoxylan A member of the class of arabinoxylans that consists of a polymer chain of beta-(1->4)-linked D-xylopyranose units, many of which are 2- or 3-substituted, or 2,3-disubstituted by alpha-L-arabinofuranosyl residues. CAS:9040-27-1|KEGG:C01889|PMID:16659029|PMID:21535740|PMID:21615152 phenio.json Arabinoxylan http://purl.obolibrary.org/obo/CHEBI_28427 3_STAR
CHEBI:28428 biolink:ChemicalSubstance beta-hexachlorocyclohexane The beta-isomer of hexachlorocyclohexane. CAS:319-85-7|KEGG:C06988|PMID:19760616|PMID:23866943|PMID:24183346|PMID:24361731|PMID:32525731|PMID:32675895|PMID:32906049|Reaxys:1907338|UM-BBD_compID:c0139 phenio.json (1alpha,2beta,3alpha,4beta,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane|(1r,2t,3c,4t,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane|beta-1,2,3,4,5,6-Hexachlorocyclohexane|beta-1,2,3,4,5,6-hexachlorocyclohexane|beta-BHC|beta-HCH|beta-Hexachlorocyclohexane|beta-Lindane|beta-benzene hexachloride|beta-lindane|trans-1,2,3,4,5,6-hexachlorocyclohexane http://purl.obolibrary.org/obo/CHEBI_28428 3_STAR
CHEBI:28429 biolink:ChemicalSubstance (+)-dihydromyricetin An optically active form of dihydromyricetin having (2R,3R)-configuration. Beilstein:4331256|CAS:27200-12-0|KEGG:C02906|KNApSAcK:C00000938|MetaCyc:CPD-7087|PMID:12889119|PMID:17059013|PMID:22693649|Reaxys:5303758|Wikipedia:Dihydromyricetin phenio.json (+)-Ampelopsin|(+)-Dihydromyricetin|(2R,3R)-2,3-dihydro-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one|(2R,3R)-3,3',4',5,5',7-hexahydroxy-2,3-dihydroflavanonol|(2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone|(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one|(2R,3R)-dihydromyricetin|Ampelopsin|Ampeloptin|Dihydromyricetin http://purl.obolibrary.org/obo/CHEBI_28429 3_STAR
CHEBI:28433 biolink:ChemicalSubstance phyllohydroquinone Beilstein:3168075|CAS:572-96-3|KEGG:C03313 phenio.json 2-methyl-3-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]naphthalene-1,4-diol|Phytonadiol|Vitamin K hydroquinone|Vitamin K1 hydroquinone|phylloquinol|vitamin K1 hydroquinone http://purl.obolibrary.org/obo/CHEBI_28433 3_STAR
CHEBI:28436 biolink:ChemicalSubstance delphinidin An anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigment responsible for the colours of the plants of the genera Viola and Delphinium. CAS:13270-61-6|KEGG:C05908|KNApSAcK:C00020091|LIPID_MAPS_instance:LMPK12010001|PMID:11906973|PMID:12871827|PMID:16902416|PMID:18948740|PMID:23129091|Reaxys:1691007|Wikipedia:Delphinidin phenio.json 3,3',4',5,5',7-Hexahydroxyflavylium|3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium http://purl.obolibrary.org/obo/CHEBI_28436 3_STAR
CHEBI:28442 biolink:ChemicalSubstance 15-oxoprostaglandin F2alpha A prostaglandin Falpha obtained by formal oxidation of the 15-hydroxy group of prostaglandin F2alpha. CAS:35850-13-6|KEGG:C05960|LIPID_MAPS_instance:LMFA03010026|PMID:11441438|PMID:3473753|Reaxys:2951600 phenio.json (5Z,13E)-9alpha,11alpha-dihydroxy-15-oxoprosta-5,13-dien-1-oic acid|15-Keto-PGF2a|15-Keto-PGF2alpha|15-Keto-prostaglandin F2a|15-Keto-prostaglandin F2alpha|15-Ketoprostaglandin F2alpha http://purl.obolibrary.org/obo/CHEBI_28442 3_STAR
CHEBI:28445 biolink:ChemicalSubstance vincristine A vinca alkaloid with formula C46H56N4O10 found in the Madagascar periwinkle, Catharanthus roseus. It is used (commonly as the corresponding sulfate salt)as a chemotherapy drug for the treatment of leukaemia, lymphoma, myeloma, breast cancer and head and neck cancer. Beilstein:4779289|CAS:57-22-7|DrugBank:DB00541|Drug_Central:2825|HMDB:HMDB0014681|KEGG:C07204|KEGG:D08679|KNApSAcK:C00001783|MetaCyc:CPD-19894|PMID:18520608|PMID:30277559|PMID:30429697|PMID:30599272|PMID:30604513|PMID:30657998|PMID:31048222|PMID:31161774|PMID:31214762|PMID:31296986|Wikipedia:Vincristine phenio.json (+)-Vincristine|22-Oxovincaleukoblastine|22-oxo-vincaleukoblastine|22-oxovincaleukoblastine|Vincristine|leucristine|leurocristine|oncovin|vincristin|vinkristin http://purl.obolibrary.org/obo/CHEBI_28445 3_STAR
CHEBI:28446 biolink:ChemicalSubstance 3D-3,5/4-trihydroxycyclohexane-1,2-dione Beilstein:3199845|CAS:949461-91-0|KEGG:C04287 phenio.json (3R,4S,5R)-3,4,5-Trihydroxy-1,2-cyclohexanedione|(3R,4S,5R)-3,4,5-trihydroxycyclohexane-1,2-dione|3,5/4-Trihydroxycyclohexa-1,2-dione|3D-3,5/4-trihydroxycyclohexane-1,2-dione|D-2,3-Diketo-4-deoxy-epi-inositol http://purl.obolibrary.org/obo/CHEBI_28446 3_STAR
CHEBI:28450 biolink:ChemicalSubstance 3'-phosphoadenylyl selenate An organoselenium compound that is adenylyl selenate with the hydroxy at position 3' replaced by a phosphate group. HMDB:HMDB0011104|KEGG:C05696 phenio.json 3'-Phosphoadenosine-5'-phosphoselanate|3'-Phosphoadenosine-5'-phosphoselenate|3'-Phosphoadenylylselenate|3-Phosphoadenylylselenate|5'-O-[hydroxy(selenonooxy)phosphoryl]adenosine 3'-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_28450 3_STAR
CHEBI:28453 biolink:ChemicalSubstance (20S)-20-hydroxypregn-4-en-3-one Beilstein:2220567|Beilstein:5754299|CAS:145-14-2|KEGG:C04042 phenio.json (20S)-20-hydroxypregn-4-en-3-one|(20S)-hydroxypregn-4-en-3-one|(S)-20-Hydroxypregn-4-en-3-one|20alpha-Hydroxy-4-pregnen-3-one|20alpha-Hydroxypregn-4-en-3-one|20alpha-Hydroxyprogesterone|20alpha-dihydroprogesterone|dihydroprogesterone http://purl.obolibrary.org/obo/CHEBI_28453 3_STAR
CHEBI:28460 biolink:ChemicalSubstance maltotetraose A maltotetraose tetrasaccharide in which the glucose residue at the reducing end is in the aldehydo open-chain form. CAS:34612-38-9|KEGG:C02052|KNApSAcK:C00018031|PMID:1295602|PMID:14074622|PMID:18587768|PMID:18597275|PMID:365247|PMID:6645121|PMID:95558 phenio.json Maltotetraose|alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-alpha-D-Glcp-(1->4)-D-Glc|alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-D-glucose http://purl.obolibrary.org/obo/CHEBI_28460 3_STAR
CHEBI:28462 biolink:ChemicalSubstance ajmaline A monoterpenoid indole alkaloid that consists of ajmalan substituted at positions 17 and 21 by hydroxy groups. CAS:4360-12-7|DrugBank:DB01426|KEGG:C06542|KEGG:D00199|KNApSAcK:C00001679|KNApSAcK:C00024294 phenio.json (+)-Ajmaline|(5aR,6S,8S,10S,11S,11aS,12aR,13R)-5-methyl-5a,6,8,9,10,11,11a,12-octahydro-5H-6,10:11,12a-dimethanoindolo[3,2-b]quinolizine-8,13-diol|Ajmaline|ajmalan-17alpha,21alpha-diol http://purl.obolibrary.org/obo/CHEBI_28462 3_STAR
CHEBI:28465 biolink:ChemicalSubstance acetaldehyde oxime An aldoxime derived from acetaldehyde. CAS:107-29-9|Gmelin:217292|KEGG:C02658|PMID:12787823|PMID:16663781|PMID:16665692|PMID:23333686|PMID:24338896|Patent:CN101624353|Reaxys:1209252|Wikipedia:Acetaldoxime phenio.json Acetaldehyde oxime|Acetaldoxime|Aldoxime|acetaldehyde oxime|ethanal oxime|ethylidenehydroxylamine http://purl.obolibrary.org/obo/CHEBI_28465 3_STAR
CHEBI:28470 biolink:ChemicalSubstance 3,5-dihydro-4H-imidazol-4-one Beilstein:105893|KEGG:C06195 phenio.json 3,5-dihydro-4H-imidazol-4-one|4-Imidazolone|Imidazolone|imidazol-4-one http://purl.obolibrary.org/obo/CHEBI_28470 3_STAR
CHEBI:28477 biolink:ChemicalSubstance 7alpha,12alpha-dihydroxycholest-4-en-3-one CAS:1254-03-1|KEGG:C17339|LIPID_MAPS_instance:LMST04030114|PMID:11181760|PMID:1194785|PMID:1245792|PMID:18624455|PMID:19075558|PMID:4380319|PMID:4385432|PMID:5640503 phenio.json 4-cholesten-7alpha,12alpha-diol-3-one|7alpha,12alpha-Dihydroxy-4-cholesten-3-one|7alpha,12alpha-Dihydroxycholest-4-en-3-one|7alpha,12alpha-dihydroxycholest-4-en-3-one http://purl.obolibrary.org/obo/CHEBI_28477 3_STAR
CHEBI:28478 biolink:ChemicalSubstance (2-hydroxyphenyl)acetic acid A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria. CAS:614-75-5|HMDB:HMDB0000669|KEGG:C05852|PDBeChem:OHP|PMID:13658992|PMID:22770225|Reaxys:908000 phenio.json (2-hydroxyphenyl)acetic acid|(o-hydroxyphenyl)acetic acid|2'-hydroxyphenylacetic acid|2-hydroxybenzeneacetic acid|2-hydroxyphenylacetic acid|o-hydroxyphenylacetic acid http://purl.obolibrary.org/obo/CHEBI_28478 3_STAR
CHEBI:28479 biolink:ChemicalSubstance D-tyrosine An optically active form of tyrosine having D-configuration. CAS:556-02-5|DrugBank:DB03839|ECMDB:ECMDB21520|Gmelin:603524|KEGG:C06420|MetaCyc:D-TYROSINE|PDBeChem:DTY|PMID:15292242|PMID:23381872|PMID:24936396|Reaxys:2212157|YMDB:YMDB00805 phenio.json (2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid|(R)-2-Amino-3-(p-hydroxyphenyl)propionic acid|(R)-3-(p-Hydroxyphenyl)alanine|D-TYROSINE|D-Tyr|D-Tyrosin|D-Tyrosine|D-tyrosine|DTY http://purl.obolibrary.org/obo/CHEBI_28479 3_STAR
CHEBI:28480 biolink:ChemicalSubstance aldehydo-L-lyxose An L-lyxose in open-chain aldehyde form. CAS:1949-78-6|GlyTouCan:G95233PP|KEGG:C01508|MetaCyc:CPD-15868 phenio.json L-Lyx|L-Lyxose|L-lyxose|WURCS=2.0/1,1,0/[o221h]/1/ http://purl.obolibrary.org/obo/CHEBI_28480 3_STAR
CHEBI:28481 biolink:ChemicalSubstance aldehydo-L-iduronic acid The open-chain aldehydo-form of L-iduronic acid. phenio.json L-iduronic acid http://purl.obolibrary.org/obo/CHEBI_28481 3_STAR
CHEBI:28484 biolink:ChemicalSubstance isovaleric acid A C5, branched-chain saturated fatty acid. Beilstein:1098522|CAS:503-74-2|DrugBank:DB03750|Gmelin:101117|KEGG:C08262|KNApSAcK:C00001189|LIPID_MAPS_instance:LMFA01020181|PDBeChem:IVA|PMID:12743728|PPDB:3129 phenio.json 3-Methylbutanoic acid|3-Methylbuttersaeure|3-methyl-n-butyric acid|3-methylbutanoic acid|3-methylbutyric acid|ISOVALERIC ACID|Isovalerate|Isovaleriansaeure|Isovaleric acid|beta-methylbutyric acid|delphinic acid|isobutylformic acid|isopentanoic acid|isopropylacetic acid|isovalerianic acid http://purl.obolibrary.org/obo/CHEBI_28484 3_STAR
CHEBI:28487 biolink:ChemicalSubstance reserpine An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Beilstein:5326088|CAS:50-55-5|DrugBank:DB00206|Drug_Central:2370|HMDB:HMDB0014351|KEGG:C06539|KEGG:D00197|KNApSAcK:C00001763|LINCS:LSM-4162|PMID:20701244|PMID:20825390|PMID:24603678|Reaxys:102014|Wikipedia:Reserpine phenio.json (-)-reserpine|(3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylic acid methyl ester|3,4,5-trimethoxybenzoyl methyl reserpate|Apoplon|Reserpin|Reserpine|Serpalan|methyl (3beta,16beta,17alpha,18beta,20alpha)-11,17-dimethoxy-18-[(3,4,5-trimethoxybenzoyl)oxy]yohimban-16-carboxylate http://purl.obolibrary.org/obo/CHEBI_28487 3_STAR
CHEBI:28488 biolink:ChemicalSubstance m-xylene A xylene carrying methyl groups at positions 1 and 3. CAS:108-38-3|Gmelin:101390|HMDB:HMDB0059810|KEGG:C07208|MetaCyc:META-XYLENE|PMID:14755610|PMID:22360283|PMID:24389912|Reaxys:605441|UM-BBD_compID:c0240|Wikipedia:M-xylene phenio.json 1,3-Dimethylbenzene|1,3-Dimethylbenzol|1,3-Xylene|1,3-xylene|3-xylene|m-Xylene|m-Xylol|m-dimethylbenzene|m-methyltoluene|m-xylene|meta-xylene http://purl.obolibrary.org/obo/CHEBI_28488 3_STAR
CHEBI:28492 biolink:ChemicalSubstance 5-methylbarbituric acid Beilstein:127336|CAS:2417-22-3|KEGG:C05281 phenio.json 5-Methylbarbiturate|5-Methylbarbituric acid|5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione|5-methylbarbituric acid|5-methylpyrimidine-2,4,6(1H,3H,5H)-trione http://purl.obolibrary.org/obo/CHEBI_28492 3_STAR
CHEBI:28493 biolink:ChemicalSubstance decanoyl-CoA A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of decanoic acid. CAS:1264-57-9|HMDB:HMDB0006404|KEGG:C05274|LIPID_MAPS_instance:LMFA07050022|PMID:1422210|PMID:21175|PMID:2178686|PMID:3729425|PMID:4147365|Reaxys:8033370 phenio.json 10:0-CoA|3'-phosphoadenosine 5'-(3-{(3R)-4-[(3-{[2-(decanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)|C10:0-CoA|Coenzyme A, S-decanoate|Decanoyl-CoA|Decanoyl-coenzyme A|capryl-CoA|capryl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28493 3_STAR
CHEBI:28494 biolink:ChemicalSubstance cardiolipin A phosphatidylglycerol composed of two molecules of phosphatidic acid covalently linked to a molecule of glycerol. DrugBank:DB03429|KEGG:C05980|LIPID_MAPS_instance:LMGP12010000|PDBeChem:CDN|PMID:10540156|PMID:11339809|PMID:16341241|PMID:1694860|PMID:17294083|PMID:18515061|PMID:18790112|PMID:19303420|PMID:19962311|PMID:22819940|PMID:2413066|PMID:28458255|PMID:3196084|Wikipedia:Cardiolipin phenio.json 1',3'-Bis(1,2-diacyl-sn-glycero-3-phospho)-sn-glycerol|1',3'-bis(1,2-diacyl-sn-glycero-3-phospho)-sn-glycerol|CARDIOLIPIN|Cardiolipin|DPG|Diphosphatidylglycerol|cardiolipins http://purl.obolibrary.org/obo/CHEBI_28494 3_STAR
CHEBI:28496 biolink:ChemicalSubstance N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine A tripeptoid arising from cleavage of both rings of a penicillin derivative. CAS:21566-74-5|DrugBank:DB02025|KEGG:C05556|PDBeChem:ACV phenio.json (alpha-Aminoadipyl)-cys-val|5-(2-Aminoad)-cys-val|AADCV|ACV|L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE|L-delta-(alpha-Aminoadipoyl)-L-cysteinyl-D-valine|N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine|N-[L-5-Amino-5-carboxypentanoyl]-L-cysteinyl-D-valine|delta(L-2-Aminoadipyl)-L-cysteinyl-D-valine|delta(L-2-aminoadipyl)-L-cysteinyl-D-valine http://purl.obolibrary.org/obo/CHEBI_28496 3_STAR
CHEBI:28497 biolink:ChemicalSubstance N-acetyl-beta-D-galactosamine An N-acetyl-D-galactosamine having beta-configuration at the anomeric centre. CAS:1811-31-0|GlyGen:G61418DU|GlyTouCan:G61418DU|HMDB:HMDB0000853|KEGG:C05021|MetaCyc:CPD-12557|PDBeChem:NGA|PMID:19443021|PMID:31537530|Reaxys:1728373 phenio.json 2-(acetylamino)-2-deoxy-beta-D-galactopyranose|2-acetamido-2-deoxy-beta-D-galactopyranose|2-acetamido-2-deoxy-beta-D-galactopyranoside|N-Acetyl-beta-D-galactosamine|N-acetyl-beta-D-galactosamine|WURCS=2.0/1,1,0/[a2112h-1b_1-5_2*NCC/3=O]/1/|bGalNAc|beta-D-galactopyranose, 2-(acetylamino)-2-deoxy-|beta-GalNAc http://purl.obolibrary.org/obo/CHEBI_28497 3_STAR
CHEBI:28498 biolink:ChemicalSubstance acadesine A 1-ribosylimidazolecarboxamide in which the carboxamide group is situated at position 4 of the imidazole ring, which is further substituted at position 5 by an amino group. A purine nucleoside analogue and activator of AMP-activated protein kinase, it is is used for the treatment of acute lymphoblastic leukemia and is reported to have cardioprotective effects. CAS:2627-69-2|DrugBank:DB04944|Drug_Central:37|KEGG:D02742|PMID:17513706|PMID:17706943|PMID:18090925|PMID:18457469|PMID:18671468|PMID:20185792|PMID:20367195|PMID:21244913|PMID:23228986|PMID:24303202|PMID:24519895|PMID:24778186|PMID:8227467|PMID:8458030|Reaxys:38255|Wikipedia:Acadesine phenio.json 5-amino-1-(beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide|5-amino-1-beta-D-ribofuranosyl-4-imidazolecarboxamide|5-amino-1-beta-D-ribofuranosylimidazole-4-carboxamide|5-amino-1-beta-ribofuranosyl-imidazole-4-carboxamide|5-amino-1-ribofuranosylimidazole-4-carboxamide|5-amino-1beta-D-ribofuranosylimidazole-4-carboxyamide|5-amino-4-imidazolecarboxamide ribofuranoside|5-aminoimidazole-4-carboxamide ribonucleoside|AIC-Riboside|AICA-riboside|AICAr|EC Number 220-097-5|GP 1-110|GP-1-110|N(1)-(beta-D-ribofuranosyl)-5-aminoimidazole-4-carboxamide|acadesina|acadesine|acadesinum http://purl.obolibrary.org/obo/CHEBI_28498 3_STAR
CHEBI:28499 biolink:ChemicalSubstance kaempferol A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3, 5, 7 and 4'. Acting as an antioxidant by reducing oxidative stress, it is currently under consideration as a possible cancer treatment. CAS:520-18-3|DrugBank:DB01852|HMDB:HMDB0005801|KEGG:C05903|KNApSAcK:C00004565|LINCS:LSM-5304|LIPID_MAPS_instance:LMPK12110003|MetaCyc:CPD1F-90|PDBeChem:KMP|PMID:12592675|PMID:15234754|PMID:17426744|PMID:17551714|PMID:28166217|Reaxys:304401|Wikipedia:kaempferol phenio.json 3,4',5,7-Tetrahydroxyflavone|3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol|5,7,4'-trihydroxyflavonol|C.I. 75640|Indigo yellow|Kaempferol|Kaempherol|Kampherol|Kempferol|Nimbecetin|Pelargidenolon|Populnetin|Rhamnolutein|Rhamnolutin|Robigenin|Swartziol|Trifolitin|campherol http://purl.obolibrary.org/obo/CHEBI_28499 3_STAR
CHEBI:28502 biolink:ChemicalSubstance tolazoline A member of the class of imidazoles that is 4,5-dihydro-1H-imidazole substituted by a benzyl group. CAS:59-98-3|DrugBank:DB00797|Drug_Central:2695|HMDB:HMDB0014935|KEGG:C07147|KEGG:D08614|LINCS:LSM-3020|PMID:14366198|PMID:23321455|PMID:23438114|Reaxys:128757|Wikipedia:Tolazoline phenio.json 2-Benzyl-2-imidazoline|2-Benzyl-4,5-imidazoline|2-Benzylimidazoline|2-benzyl-4,5-dihydro-1H-imidazole|4,5-Dihydro-2-(phenylmethyl)-1H-imidazole|Tolazoline http://purl.obolibrary.org/obo/CHEBI_28502 3_STAR
CHEBI:28506 biolink:ChemicalSubstance arsonoacetic acid An organoarsonic acid that is methylarsonic acid in which one of the hydrogens of the methyl group is replaced by a carboxy group. CAS:107-38-0|KEGG:C06550|PMID:7711909|Reaxys:1764356|UM-BBD_compID:c0524 phenio.json (carboxymethyl)arsonic acid|Arsonoacetate|arsonoacetic acid http://purl.obolibrary.org/obo/CHEBI_28506 3_STAR
CHEBI:28509 biolink:ChemicalSubstance chloroethene A monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group. CAS:75-01-4|Gmelin:100541|KEGG:C06793|PMID:15989139|PMID:18678006|Reaxys:1731576|UM-BBD_compID:c0358|Wikipedia:Chloroethene phenio.json Chloroethylene|VC|Vinyl chloride|Vinylchlorid|chloroethene|chlorure de vinyle|cloroetileno|cloruro de vinilo|ethylene monochloride|monochloroethene|monochloroethylene|monovinyl chloride http://purl.obolibrary.org/obo/CHEBI_28509 3_STAR
CHEBI:28514 biolink:ChemicalSubstance N-acetyl-D-glucosaminyl-(1->4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine An N-acetyl-beta-D-glycosaminyl glycopeptide consisting of an N-acetyl-beta-D-glycosaminyl-(1->4)-N-acetylmuramoyl moiety attached to the amino terminus of the tripeptide L-alanyl-D-glutamyl-6-carboxy-L-lysine via an amide linkage. KEGG:C04876 phenio.json N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysine|beta-GlcNAc-(1->4)-MurNAc-L-Ala-gamma-D-Glu-6-carboxy-L-Lys http://purl.obolibrary.org/obo/CHEBI_28514 3_STAR
CHEBI:28516 biolink:ChemicalSubstance 1,2-dihydronaphthalene-1,2-diol A member of the class of naphthalenediols that is 1,2-dihydronaphthalene substituted by hydroxy groups at positions 1 and 2 respectively. Beilstein:2045863|CAS:7234-04-0|HMDB:HMDB0060335|KEGG:C06205|PMID:24554759 phenio.json 1,2-Dihydronaphthalene-1,2-diol|1,2-Dihydroxy-1,2-dihydronaphthalene|1,2-dihydronaphthalene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_28516 3_STAR
CHEBI:28517 biolink:ChemicalSubstance biphenyl-2,2',3-triol Beilstein:2581185|CAS:91368-55-7|KEGG:C03569|UM-BBD_compID:c0040 phenio.json 2,2',3-Trihydroxybiphenyl|2,2',3-biphenyltriol|3-(2-hydroxyphenyl)catechol|[1,1'-biphenyl]-2,2',3-triol|biphenyl-2,2',3-triol http://purl.obolibrary.org/obo/CHEBI_28517 3_STAR
CHEBI:28518 biolink:ChemicalSubstance alpha-D-xylose A D-xylopyranose in with an alpha-configuration at the anomeric position. CAS:25990-60-7|CAS:6763-34-4|DrugBank:DB03389|GlyGen:G03144EF|GlyTouCan:G03144EF|KEGG:C01394|KEGG:C02205|KNApSAcK:C00007290 phenio.json WURCS=2.0/1,1,0/[a212h-1a_1-5]/1/|alpha-D-Xylose|alpha-D-xylopyranose|alpha-D-xylose http://purl.obolibrary.org/obo/CHEBI_28518 3_STAR
CHEBI:28522 biolink:ChemicalSubstance 4-hydroxybutyryl-CoA An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-hydroxybutyric acid. KEGG:C11062|PMID:11041350|PMID:1768145|PMID:8344309|Reaxys:10514896 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(4-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]dihydrogen diphosphate}|4-Hydroxybutanoyl-CoA|4-Hydroxybutyryl-CoA|4-hydroxybutanoyl-CoA|4-hydroxybutanoyl-coenzyme A|4-hydroxybutyryl-coenzyme A|gamma-hydroxybutanoyl-CoA|gamma-hydroxybutyryl-CoA|gamma-hydroxybutyryl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28522 3_STAR
CHEBI:28526 biolink:ChemicalSubstance (KDO)2-lipid IVA Lipid IVA glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues. KEGG:C06025|KEGG:G11160 phenio.json 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-alpha-D-glucopyranose|Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A)|KDO2-lipid IV(A) http://purl.obolibrary.org/obo/CHEBI_28526 3_STAR
CHEBI:28527 biolink:ChemicalSubstance rutin A rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups. CAS:153-18-4|DrugBank:DB01698|Drug_Central:3535|HMDB:HMDB0003249|KEGG:C05625|KEGG:D00190|KEGG:D08499|KNApSAcK:C00005413|LINCS:LSM-2457|MetaCyc:RUTIN|PDBeChem:RUT|PMID:14979715|PMID:15601236|PMID:20701244|PMID:30307940|PMID:31382673|PMID:33917795|Reaxys:75455|Wikipedia:Rutin phenio.json 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|3-Rhamnoglucosylquercetin|3-Rutinosyl quercetin|3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one|Phytomelin|Quercetin 3-rutinoside|Quercetin-3-rutinoside|Rutin|Rutoside http://purl.obolibrary.org/obo/CHEBI_28527 3_STAR
CHEBI:28528 biolink:ChemicalSubstance 3-oxodecanoyl-CoA An oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxylic acid group of 3-oxodecanoic acid. HMDB:HMDB0003939|KEGG:C05265|MetaCyc:CPD0-2123|PMID:344310 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3-Oxodecanoyl-CoA|3-ketodecanoyl-CoA|3-ketodecanoyl-coenzyme A|3-oxodecanoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28528 3_STAR
CHEBI:2853 biolink:ChemicalSubstance artemorin A germacranolide isolated from Laurus nobilis L.. CAS:64845-92-7|KEGG:C09345|KNApSAcK:C00003222|PMID:6476889|Reaxys:1623173 phenio.json (7R,10E)-7-hydroxy-10-methyl-3,6-bis(methylidene)-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-2(3H)-one|Artemorin http://purl.obolibrary.org/obo/CHEBI_2853 3_STAR
CHEBI:28530 biolink:ChemicalSubstance GDP-4-dehydro-L-fucose A GDP-hexose compound having 6-deoxy-L-xylo-hexopyranosyl-4-ulose as the hexose fragment. PMID:25126572 phenio.json GDP-4-oxo-L-fucose|guanosine 5'-[3-(6-deoxy-L-xylo-hexopyranosyl-4-ulose) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_28530 3_STAR
CHEBI:28533 biolink:ChemicalSubstance 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA A cholestanoyl-CoA formed by thioester linkage between 3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oic acid and coenzyme A. KEGG:C05449|PMID:11146090 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3alpha,7alpha-Dihydroxy-5beta-24-oxocholestanoyl-CoA|3alpha,7alpha-dihydroxy-24-oxo-5beta-cholestan-26-oyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28533 3_STAR
CHEBI:28536 biolink:ChemicalSubstance 3-hydroxyindolin-2-one An oxindole that is 1,3-dihydro-2H-indol-2-one substituted by a hydroxy group at position 3. Beilstein:131835|CAS:61-71-2|KEGG:C11130|Reaxys:82628 phenio.json 1,3-Dihydro-3-hydroxy-2H-indol-2-one|3-Hydroxy-indolin-2-one|3-hydroxy-1,3-dihydro-2H-indol-2-one|3-hydroxy-2-indolinone|3-hydroxyindolin-2-one|3-hydroxyoxindole|Dioxindole http://purl.obolibrary.org/obo/CHEBI_28536 3_STAR
CHEBI:28537 biolink:ChemicalSubstance all-trans-dehydroretinal A retinal which contains an additional double bond between the 3 and 4 positions of the six-membered ring, and in which all of the double bonds in the side chain have the E-configuration. CAS:472-87-7|KEGG:C05918|Reaxys:2055104 phenio.json (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenal|(all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2,4,6,8-nonatetraenal|3,4-Didehydroretinal|3-Dehydroretinal|3-Dehydroretinaldehyde|Dehydroretinal|Dehydroretinaldehyd|Dehydroretinaldehyde|Retinene 2|Vitamin A2 aldehyde|all-trans-3,4-Dehydroretinal|all-trans-3,4-didehydroretinal|all-trans-Dehydroretinal|trans-3-Dehydroretinal http://purl.obolibrary.org/obo/CHEBI_28537 3_STAR
CHEBI:28540 biolink:ChemicalSubstance 5beta-cholestane-3alpha,7alpha,26-triol CAS:15313-69-6|KEGG:C05444|LIPID_MAPS_instance:LMST04030020 phenio.json 3alpha,7alpha,26-Trihydroxy-5beta-cholestane|3alpha,7alpha,26-trihydroxy-5beta-cholestane|5beta-Cholestane-3alpha,7alpha,26-triol|5beta-cholestan-3alpha,7alpha,26-triol|5beta-cholestane-3alpha,7alpha,26-triol|Cholestane-3,7,26-triol http://purl.obolibrary.org/obo/CHEBI_28540 3_STAR
CHEBI:28541 biolink:ChemicalSubstance N-acetylneuraminyl-(2->8)-N-acetylneuraminyl-(2->8)-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine A sialodiosylceramide consisting of the pentasaccharide alpha-Neu5NAc-(2->8)-alpha-Neu5NAc-(2->8)-alpha-Neu5NAc-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide. KEGG:C06299|KEGG:G00118|PMID:1371229|PMID:1567198|PMID:2303428 phenio.json (2S,3R,4E)-2-alkanamido-3-hydroxyoctadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|(Gal)1 (Glc)1 (Neu5Ac)3 (Cer)1|GT3|N-acetylneuraminyl-(2->8)-N-acetylneuraminyl-(2->8)-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide|NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3Gal-beta1->4Glc-beta1->1'Cer|NeuAc-alpha2->8NeuAc-alpha2->8NeuAc2->3LacCer|NeuActrans2->8NeuAcalpha2->8NeuAcalpha2->3Galbeta1->4Glc-Cer|alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-beta-Glc-(1->1')-Cer|alpha-Neup5NAc-(2->8)-alpha-Neup5NAc-(2->8)-alpha-Neup5NAc-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer|ganglioside GT3 http://purl.obolibrary.org/obo/CHEBI_28541 3_STAR
CHEBI:28542 biolink:ChemicalSubstance 2-deoxy-D-ribofuranose 1-phosphate A 2-deoxyribose 1-phosphate with D-ribofuranose as the sugar. An intermediate in the metabolism of pyrimidine. Beilstein:1285902|CAS:17210-42-3|ECMDB:ECMDB01351|HMDB:HMDB0001351|KEGG:C00672|PMID:11103787|Reaxys:1285902|YMDB:YMDB00663 phenio.json 2-Deoxy-D-ribose 1-phosphate|2-deoxy-1-O-phosphono-D-erythro-pentofuranose|2-deoxy-1-O-phosphono-D-ribofuranose|2-deoxy-D-erythro-pentofuranose 1-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_28542 3_STAR
CHEBI:28544 biolink:ChemicalSubstance digitoxin A cardenolide glycoside in which the 3beta-hydroxy group of digitoxigenin carries a 2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl trisaccharide chain. CAS:71-63-6|DrugBank:DB01396|Drug_Central:881|KEGG:C06955|KEGG:D00297|KNApSAcK:C00003617|PMID:10438974|PMID:10687899|PMID:26573786|Reaxys:76678|Wikipedia:Digitoxin phenio.json 3beta-[2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide|Crystodigin (TN)|Digitoxin|Digitoxoside http://purl.obolibrary.org/obo/CHEBI_28544 3_STAR
CHEBI:28545 biolink:ChemicalSubstance valinomycin A twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains. CAS:2001-95-8|KEGG:C06684|PMID:10603383|PMID:18633285|PMID:19347893|PMID:22683555|PMID:7590182|Reaxys:78657|Wikipedia:Valinomycin phenio.json (3R,6R,9S,12S,15R,18R,21S,24S,27R,30R,33S,36S)-3,6,9,15,18,21,27,30,33-nonaisopropyl-12,24,36-trimethyl-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexaazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone|Cyclic(D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl)|Valinomycin|cyclo[-D-O-Val-D-Val-L-O-Ala-L-Val]3 http://purl.obolibrary.org/obo/CHEBI_28545 3_STAR
CHEBI:28547 biolink:ChemicalSubstance D-glucuronate 1-phosphate A carbohydrate acid derivative anion arising from selective deprotonation of the carboxy function of D-glucuronic acid 1-phosphate. KEGG:C05385 phenio.json 1-O-phosphono-D-glucopyranuronate|D-Glucuronate 1-phosphate http://purl.obolibrary.org/obo/CHEBI_28547 3_STAR
CHEBI:28548 biolink:ChemicalSubstance D-pinitol The D-enantiomer of pinitol. Beilstein:2043789|Beilstein:4291950|CAS:10284-63-6|Chemspider:10369209|FooDB:FDB012524|HMDB:HMDB0034219|KEGG:C03844|KNApSAcK:C00001168|PMID:22843669|PMID:9834164|Wikipedia:Pinitol phenio.json (+)-pinitol|(1R,2S,3R,4S,5S,6S)-6-methoxycyclohexane-1,2,3,4,5-pentol|1D-3-O-Methyl-chiro-inositol|1D-3-O-methyl-chiro-inositol|5D-5-O-Methyl-chiro-inositol|5D-5-O-methyl-chiro-inositol|D-(+)-pinitol|D-Pinitol|Pinit http://purl.obolibrary.org/obo/CHEBI_28548 3_STAR
CHEBI:28549 biolink:ChemicalSubstance 3-(indol-3-yl)-2-oxobutyric acid A 2-oxo monocarboxylic acid that is 2-oxobutyric acid which is substituted at position 3 by an indol-3-yl group. Beilstein:477498|KEGG:C05644 phenio.json 3-(1H-indol-3-yl)-2-oxobutanoic acid|3-Methylindolepyruvate http://purl.obolibrary.org/obo/CHEBI_28549 3_STAR
CHEBI:28553 biolink:ChemicalSubstance selenocystine Beilstein:1969559|CAS:1464-43-3|KEGG:C05704 phenio.json 3,3'-Diselenobisalanine|3,3'-Diselenodialanine|3,3'-diselane-1,2-diylbis(2-aminopropanoic acid)|Selenocystine http://purl.obolibrary.org/obo/CHEBI_28553 3_STAR
CHEBI:28554 biolink:ChemicalSubstance ajugose A hexasaccharide that is verbascose which has an additional unit of alpha-D-galactopyranose attached by a 1->6 glycosidic linkage to the terminal galactosyl residue. CAS:512-72-1|KEGG:C08238|KNApSAcK:C00001133|MetaCyc:CPD-8066|PMID:15998152|PMID:16716272|PMID:7445755|Reaxys:78323 phenio.json Ajugose|alpha-Galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-galactosyl-(1-6)-alpha-glucosyl-(1-2)-beta-fructose|beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf|beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_28554 3_STAR
CHEBI:28556 biolink:ChemicalSubstance biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) A glycosyloxyisoflavone that is biochanin A 7-O-beta-D-glucoside in which the hydroxy group at position 6 of the glucosyl moiety has been acylated by one of the carboxy groups of malonic acid. CAS:34232-17-2|KEGG:C12625|KNApSAcK:C00010117 phenio.json 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside|Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside)|Biochanin A 7-O-beta-D-glucoside 6''-O-malonate|biochanin A 7-O-(6-O-malonyl-beta-D-glucoside) http://purl.obolibrary.org/obo/CHEBI_28556 3_STAR
CHEBI:28568 biolink:ChemicalSubstance piperazine An azacycloalkane that consists of a six-membered ring containing two nitrogen atoms at opposite positions. CAS:110-85-0|CAS:142-88-1|Chemspider:13835459|DrugBank:DB00592|Drug_Central:2188|FooDB:FDB012189|Gmelin:25695|HMDB:HMDB0014730|KEGG:C07973|KEGG:D00807|KEGG:D02145|MetaCyc:PIPERAZINE|PDBeChem:PZE|PMID:15017096|PMID:16987490|PMID:24201896|PMID:28842264|PMID:29438107|PMID:32912125|PMID:33336346|PMID:33751807|PMID:9265850|Pesticides:piperazine|Reaxys:102555|VSDB:1781|Wikipedia:Piperazine phenio.json 1,4-diazacyclohexane|1,4-diethylenediamine|1,4-piperazine|Diethylenediamine|Piperazin|Piperazine|Vermizine (TN)|hexahydro-1,4-diazine|piperazine http://purl.obolibrary.org/obo/CHEBI_28568 3_STAR
CHEBI:28575 biolink:ChemicalSubstance L-glutamate methyl ester A L-glutamyl ester that is the alpha-methyl ester derivative of L-glutamic acid. KEGG:C05016|Reaxys:1707273 phenio.json (4S)-4-amino-5-methoxy-5-oxopentanoic acid|Glu(alpha-OMe)-OH|H-Glu-OMe|L-glutamate methylester|L-glutamic acid 1-methyl ester|glutamic acid alpha-methyl ester|glutamic acid methyl ester http://purl.obolibrary.org/obo/CHEBI_28575 3_STAR
CHEBI:28578 biolink:ChemicalSubstance 2-hydroxyglutaryl-CoA A hydroxyacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyglutaric acid. KEGG:C03058|PMID:1417419|PMID:3691501 phenio.json 2-Hydroxyglutaryl-CoA|2-hydroxyglutaryl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-carboxy-2-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_28578 3_STAR
CHEBI:28579 biolink:ChemicalSubstance epsilon-caprolactam A member of the class of caprolactams that is azepane substituted by an oxo group at position 2. CAS:105-60-2|Gmelin:101802|KEGG:C06593|KNApSAcK:C00000318|MetaCyc:CPD-883|PDBeChem:ICC|PMID:17161908|PMID:2263224|PMID:9688819|Patent:KR20120003540|Patent:US2011183386|Patent:WO2011108251|Reaxys:106934|UM-BBD_compID:c0432|Wikipedia:Caprolactam phenio.json 2-ketohexamethyleneimine|2-oxohexamethylenimine|6-caprolactam|Kaprolaktam|aminocaproic lactam|azepan-2-one|caprolactam|epsilon-Caprolactam|epsilon-caprolactam|hexahydro-2H-azepin-2-one http://purl.obolibrary.org/obo/CHEBI_28579 3_STAR
CHEBI:28581 biolink:ChemicalSubstance UDP-N-acetyl-D-mannosaminouronic acid A UDP-N-acetyl-mannosaminouronic acid in which the N-acetyl-mannosaminouronic acid fragment has D-configuration. phenio.json uridine 5'-[3-(2-acetamido-2-deoxy-D-mannopyranosyluronic acid) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_28581 3_STAR
CHEBI:28584 biolink:ChemicalSubstance gossypol CAS:303-45-7|DrugBank:DB13044|Drug_Central:1328|FooDB:FDB000742|KEGG:C07667|KNApSAcK:C00003136|LINCS:LSM-6229|LIPID_MAPS_instance:LMPR0103330002|MetaCyc:CPD-9526|PDBeChem:GO3|PMID:36718333|PMID:36928775|PMID:37626472|PMID:37763992|PMID:37865884|PMID:38098026|PMID:38582865|PMID:38632634|PMID:38786676|PMID:38786884|PMID:38856661|PMID:38864347|PMID:38936520|PMID:38960107|Wikipedia:Gossypol phenio.json 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(1-methylethyl)[2,2'-binaphthalene]-8,8'-dicarboxaldehyde|1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-di(propan-2-yl)[2,2'-binaphthalene]-8,8'-dicarbaldehyde|1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl-2,2'-binaphthyl-8,8'-dialdehyde|1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-diisopropyl[2,2'-binaphthalene]-8,8'-dicarboxaldehyde|1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-2,2'-binaphthalene-8,8'-dicarboxaldehyde|1,1',6,6',7,7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-8,8'-dicarbaldehyde|1,6,7,1',6',7'-hexahydroxy-5,5'-diisopropyl-3,3'-dimethyl-[2,2']binaphthalenyl-8,8'-dicarboxaldehyde|2,2'-bis[1,6,7-trihydroxy-3-methyl-5-isopropyl-8-aldehydonaphthyl]|2,2'-bis[8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthyl]|gosipol http://purl.obolibrary.org/obo/CHEBI_28584 3_STAR
CHEBI:28585 biolink:ChemicalSubstance 4-carboxy-4'-sulfoazobenzene A member of the class of azobenzenes that is azobenzene in which the para position of one of the phenyl groups is substituted by a carboxy group, whilst that of the other phenyl group is substituted by a sulfo group. KEGG:C06673|Reaxys:3411412 phenio.json 4-(4-sulfophenylazo)benzoic acid|4-[(E)-(4-sulfophenyl)diazenyl]benzoic acid http://purl.obolibrary.org/obo/CHEBI_28585 3_STAR
CHEBI:28586 biolink:ChemicalSubstance verbascose A pentasaccharide that is stachiose which has an additional unit of alpha-D-galactopyranose attached by a 1->6 glycosidic linkage to the terminal galactosyl residue. CAS:546-62-3|KEGG:C08252|KEGG:G00564|KNApSAcK:C00001154|MetaCyc:CPD-8065|PMID:11675396|PMID:22608234|Reaxys:77323 phenio.json D-verbascose|beta-D-Fructofuranosyl O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-O-alpha-D-galactopyranosyl-(1-6)-alpha-D-glucopyranoside|beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-beta-D-Galp-(1->6)-alpha-D-Glcp-(1<->2)-beta-D-Fruf|beta-D-fructofuranosyl alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-galactopyranosyl-(1->6)-alpha-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_28586 3_STAR
CHEBI:28591 biolink:ChemicalSubstance guaiacol A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. CAS:90-05-1|Drug_Central:1334|HMDB:HMDB0001398|KEGG:C01502|KEGG:C15572|KEGG:D00117|KNApSAcK:C00002654|KNApSAcK:C00029459|LINCS:LSM-6001|MetaCyc:CPD-400|PDBeChem:JZ3|PMID:22103597|PMID:23587706|PMID:24295708|Patent:RU94026717|Reaxys:508112|Wikipedia:Guaiacol phenio.json 1-Hydroxy-2-methoxybenzene|2-Hydroxyanisole|2-methoxyphenol|Catechol monomethyl ether|Guaiacol|guaiacol|o-Methoxyphenol http://purl.obolibrary.org/obo/CHEBI_28591 3_STAR
CHEBI:28592 biolink:ChemicalSubstance ricinoleic acid A (9Z)-12-hydroxyoctadec-9-enoic acid in which the 12-hydroxy group has R-configuration.. CAS:141-22-0|DrugBank:DB02955|Drug_Central:3527|KEGG:C08365|KNApSAcK:C00001237|LIPID_MAPS_instance:LMFA01050233|PMID:18080873|PMID:19191319|PMID:9675028|Reaxys:1727811 phenio.json (9Z,12R)-12-hydroxyoctadec-9-enoic acid|(Z,R)-12-hydroxyoctadec-9-enoic acid|(cis,R)-12-hydroxyoctadec-9-enoic acid|12-Hydroxy-9-octadecenoic acid|12-Hydroxy-cis-9-octadecenoic acid|12-OH 9c-18:1|12-hydroxyoleic acid|Ricinoleic acid|Ricinolsaeure|ricinolic acid http://purl.obolibrary.org/obo/CHEBI_28592 3_STAR
CHEBI:28593 biolink:ChemicalSubstance quinidine A cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. CAS:56-54-2|DrugBank:DB00908|Drug_Central:2346|KEGG:C06527|KEGG:D08458|LINCS:LSM-3325|PMID:12477351|PMID:12699389|PMID:14971904|PMID:14973303|PMID:15089813|PMID:15225721|PMID:15270556|PMID:15328252|PMID:16570918|PMID:17132069|PMID:17228875|PMID:17249648|PMID:17870541|PMID:18324762|PMID:18395298|PMID:18788725|PMID:23861085|PMID:24130427|PMID:445303|PMID:8337232|PMID:9864343|Reaxys:91866 phenio.json (+)-Quinidine|(+)-quinidine|(8R,9S)-quinidine|(9S)-6'-methoxycinchonan-9-ol|(R)-(6-methoxyquinolin-4-yl)((3S,4R,7S)-3-vinylquinuclidin-7-yl)methanol|(S)-(6-Methoxy-quinolin-4-yl)-((2R,5R)-5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol|(S)-(6-methoxyquinolin-4-yl)((2R,5R)-5-vinylquinuclidin-2-yl)methanol|6-methoxy-alpha-(5-vinyl-2-quinuclidinyl)-4-quinolinemethanol|CIN-QUIN|Chinidin|Conchinin|Kinidin|Quinidine|alpha-(6-methoxy-4-quinolyl)-5-vinyl-2-quinuclidinemethanol|beta-quinine|chinidinum|conquinine|pitayine|quinidina|quinidine http://purl.obolibrary.org/obo/CHEBI_28593 3_STAR
CHEBI:28599 biolink:ChemicalSubstance siroheme CAS:52553-42-1|COMe:MOL000015|DrugBank:DB02832|KEGG:C00748|KNApSAcK:C00007626|PDBeChem:SRM|Wikipedia:Siroheme phenio.json SIROHEME|Siroheme|[3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13-tetrahydroporphyrin-2,7,12,18-tetrayl-kappaN(21),kappaN(22),kappaN(23),kappaN(24)]tetrapropanoato(2-)]iron|sirohaem http://purl.obolibrary.org/obo/CHEBI_28599 3_STAR
CHEBI:28600 biolink:ChemicalSubstance farnesol A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. CAS:4602-84-0|DrugBank:DB02509|HMDB:HMDB0004305|KEGG:C01493|KNApSAcK:C00003132|LINCS:LSM-5398|PMID:17640272|PMID:19402910|PMID:23902158|PMID:24987733|Reaxys:1763926 phenio.json 3,7,11-trimethyl-2,6,10-dodecatrien-1-ol|3,7,11-trimethyl-2,6,10-dodecatrienol|3,7,11-trimethyldodeca-2,6,10-trien-1-ol|Farnesol|farnesol|farnesyl alcohol http://purl.obolibrary.org/obo/CHEBI_28600 3_STAR
CHEBI:28602 biolink:ChemicalSubstance beta-D-fructofuranose 2,6-bisphosphate A D-fructofuranose 2,6-bisphosphate with a beta-configuration at the anomeric centre. CAS:79082-92-1|HMDB:HMDB0001047|KEGG:C00665|KNApSAcK:C00007441|PDBeChem:FDP|Reaxys:15436010|Wikipedia:Fructose_2,6-bisphosphate phenio.json 2,6-di-O-phosphono-beta-D-fructofuranose|D-Fructose 2,6-bisphosphate|beta-D-fructofuranose 2,6-bis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_28602 3_STAR
CHEBI:28607 biolink:ChemicalSubstance coproporphyrinogen I Beilstein:1208396|KEGG:C05768|PDBeChem:1CP phenio.json 3,8,13,18-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrapropanoic acid|3,8,13,18-tetramethyl-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrapropionic acid|COPROPORPHYRIN I|Coproporphyrinogen I http://purl.obolibrary.org/obo/CHEBI_28607 3_STAR
CHEBI:28609 biolink:ChemicalSubstance N-benzoyl-4-methoxyanthranilic acid A member of the class of benzamides that results from the formal condensation of benzoic acid with the amino group of 4-methoxyanthranilic acid. KEGG:C04208|Reaxys:6518079 phenio.json 2-(benzoylamino)-4-methoxybenzoic acid|2-benzamido-4-methoxybenzoic acid http://purl.obolibrary.org/obo/CHEBI_28609 3_STAR
CHEBI:28616 biolink:ChemicalSubstance carbamic acid A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised. Beilstein:1734754|CAS:463-77-4|DrugBank:DB04261|Gmelin:130345|KEGG:C01563|PDBeChem:OUT|Wikipedia:Carbamic_acid phenio.json Aminoameisensaeure|Aminoformic acid|CARBAMIC ACID|Carbamate|Carbamic acid|Carbamidsaeure|carbamic acid http://purl.obolibrary.org/obo/CHEBI_28616 3_STAR
CHEBI:28618 biolink:ChemicalSubstance 1,4-dichlorobenzene A dichlorobenzene carrying chloro groups at positions 1 and 4. CAS:106-46-7|Gmelin:49722|HMDB:HMDB0041971|KEGG:C07092|PMID:10817668|PMID:17750169|PMID:23899931|Patent:WO2010122925|Reaxys:1680023|UM-BBD_compID:c0593|Wikipedia:1,4-Dichlorobenzene phenio.json 1,4-Dichlorobenzene|1,4-dichlorobenzene|PARA|PDCB|Paradichlorbenzol|p-Dichlorbenzol|p-Dichlorobenzene|p-chlorophenyl chloride|paradichlorobenzene http://purl.obolibrary.org/obo/CHEBI_28618 3_STAR
CHEBI:28619 biolink:ChemicalSubstance acrylamide A member of the class of acrylamides that results from the formal condensation of acrylic acid with ammonia. CAS:79-06-1|Gmelin:81842|HMDB:HMDB0004296|KEGG:C01659|PMID:10719038|PMID:12166997|PMID:15240786|PMID:15901921|PMID:17032038|PMID:17234719|PMID:17484107|PMID:17558658|PMID:17720246|PMID:18469268|PMID:19022940|PMID:19846048|PMID:22136129|PMID:22784192|PMID:7767980|Patent:US2535245|Reaxys:605349|UM-BBD_compID:c0149|Wikipedia:Acrylamide phenio.json 2-Propenamide|Acrylamide|Akrylamid|acrylamide|ethylenecarboxamide|prop-2-enamide http://purl.obolibrary.org/obo/CHEBI_28619 3_STAR
CHEBI:28623 biolink:ChemicalSubstance campesterol CAS:474-62-4|KEGG:C01789|KNApSAcK:C00003647|LIPID_MAPS_instance:LMST01030097 phenio.json (24R)ergost-5-en-3beta-ol|Campesterol|campest-5-en-3beta-ol|campesterol http://purl.obolibrary.org/obo/CHEBI_28623 3_STAR
CHEBI:28624 biolink:ChemicalSubstance tetrahydrofolyl-poly(glutamic acid) macromolecule A tetrahydrofolyl glutamate consisting of a tetrahydrofolyl group linked via an amide bond to a poly(gamma-glutamyl chain) KEGG:C03541 phenio.json N-[(4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)carbonyl]poly(gamma-glutamyl)glutamic acid|THF-polyglutamate|Tetrahydrofolyl-[Glu](n)|Tetrahydrofolyl-[Glu](n+1)|Tetrahydropteroyl-[gamma-Glu]n|Tetrahydropteroyl-[gamma-Glu]n+1|tetrahydrofolyl-(Glu)n http://purl.obolibrary.org/obo/CHEBI_28624 3_STAR
CHEBI:28626 biolink:ChemicalSubstance 1H-indol-3-amine Beilstein:114969|CAS:56480-48-9|KEGG:C01819 phenio.json 1H-indol-3-amine|Indolamine|Indoleamine http://purl.obolibrary.org/obo/CHEBI_28626 3_STAR
CHEBI:28629 biolink:ChemicalSubstance precorrin-8X The intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which eight methyl groups have been introduced into the tetrapyrrole framework, together with ring contraction and decarboxylation. CAS:139663-56-2|KEGG:C06408 phenio.json (1R-(1alpha,2alpha,3beta,9beta,13alpha,17beta,18alpha,19beta))-2,13,18-tris(carboxymethyl)-4,5,6,7,8,11,12,22-octadehydro-4,5,6,9,10,11,21,22-octahydro-3,5,8,9,13,15,18,19-octamethyl-3,7,12,17-Corrintetrapropanoic acid|3,3',3'',3'''-[(1R,2S,3S,7S,8S,11S,17R,18R,19R)-2,7,18-tris(carboxymethyl)-1,2,5,7,11,12,15,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acid|Precorrin 8|Precorrin 8X http://purl.obolibrary.org/obo/CHEBI_28629 3_STAR
CHEBI:28630 biolink:ChemicalSubstance 3-hydroxypyridin-4(1H)-one Beilstein:1524343|CAS:1121-23-9|KEGG:C03927 phenio.json 3-Hydroxy-4(1H)-pyridinone|3-Hydroxy-4H-pyrid-4-one|3-Hydroxypyridin-4(1H)-one|3-hydroxy-4(1H)-pyridinone|3-hydroxy-4-pyridone|3-hydroxy-4H-pyrid-4-one|3-hydroxypyridin-4(1H)-one|3-hydroxypyridine-4-one http://purl.obolibrary.org/obo/CHEBI_28630 3_STAR
CHEBI:28631 biolink:ChemicalSubstance 3-phenylpropionic acid A monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. CAS:501-52-0|DrugBank:DB02024|ECMDB:ECMDB00764|Gmelin:102198|HMDB:HMDB0000764|KEGG:C05629|MetaCyc:3-PHENYLPROPIONATE|PDBeChem:HCI|PMID:18062653|PMID:20972783|PMID:23470767|PMID:24216280|Reaxys:907515|Wikipedia:Phenylpropanoic_acid phenio.json 3-Phenyl-propionic acid|3-Phenylpropanoic acid|3-Phenylpropionsaeure|3-phenylpropanoic acid|3-phenylpropionic acid|3PP|HYDROCINNAMIC ACID|Hydrozimtsaeure|Phenylpropanoate|benzenepropanoic acid|benzenepropionic acid|benzylacetic acid|beta-phenylpropionic acid|dihydrocinnamic acid http://purl.obolibrary.org/obo/CHEBI_28631 3_STAR
CHEBI:28632 biolink:ChemicalSubstance (S)-3-hydroxyoctanoyl-CoA A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxyoctanoic acid. HMDB:HMDB0003940|KEGG:C05266|LIPID_MAPS_instance:LMFA07050015 phenio.json (S)-3-Hydroxycapryloyl-CoA|(S)-3-Hydroxyoctanoyl-CoA|(S)-3-hydroxycapryloyl-coenzyme A|(S)-3-hydroxyoctanoyl-coenzyme A|(S)-Hydroxyoctanoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyoctanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_28632 3_STAR
CHEBI:28635 biolink:ChemicalSubstance 2-isopropylmalic acid A dicarboxylic acid that is malic acid (2-hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by an isopropyl group. CAS:3237-44-3|PMID:17439666|PMID:22770225|Reaxys:1707897 phenio.json 2-hydroxy-2-(1-methylethyl)butanedioic acid|2-hydroxy-2-(propan-2-yl)butanedioic acid|2-hydroxy-2-isopropylsuccinic acid|3-carboxy-3-hydroxy-4-methylpentanoic acid|3-carboxy-3-hydroxyisocaproic acid|alpha-isopropylmalate|alpha-isopropylmalic acid http://purl.obolibrary.org/obo/CHEBI_28635 3_STAR
CHEBI:28639 biolink:ChemicalSubstance UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioic acid phenio.json UDP-Mur2Ac-L-Ala-gamma-D-Glu-A2pm|uridine 5'-(3-{2-acetamido-2-deoxy-3-O-[(2R)-1-oxo-1-{[(2S)-1-{[(1R)-4-{[(2S,6R)-6-aminoheptan-2-yl]amino}-1-carboxy-4-oxobutyl]amino}-1-oxopropan-2-yl]amino}propan-2-yl]-D-glucopyranosyl} dihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_28639 3_STAR
CHEBI:28640 biolink:ChemicalSubstance lipoteichoic acid A teichoic acid which is covalently bound to a lipid. PMID:6083437|PMID:9188087 phenio.json http://purl.obolibrary.org/obo/CHEBI_28640 3_STAR
CHEBI:28645 biolink:ChemicalSubstance beta-D-fructofuranose Beilstein:1680732|CAS:53188-23-1|KEGG:C02336|KNApSAcK:C00001117|PDBeChem:FRU phenio.json FRUCTOSE|beta-D-Fructose|beta-D-arabino-Hexulose|beta-D-fructofuranose|beta-D-fructose|beta-Fruit sugar|beta-Levulose http://purl.obolibrary.org/obo/CHEBI_28645 3_STAR
CHEBI:28646 biolink:ChemicalSubstance ammeline Beilstein:607753|CAS:645-92-1|Gmelin:240503|KEGG:C08733|UM-BBD_compID:c0171 phenio.json 2-Hydroxy-4,6-diamino-1,3,5-triazine|4,6-diamino-1,3,5-triazin-2-ol|Ammeline|ammeline http://purl.obolibrary.org/obo/CHEBI_28646 3_STAR
CHEBI:28647 biolink:ChemicalSubstance 3-O-methylgallic acid A member of the class of benzoic acids that is gallic acid in which the phenolic hydroxy group at position 3 is converted into the corresponding methyl ether. CAS:3934-84-7|KEGG:C05616|Reaxys:2695762 phenio.json 3,4-dihydroxy-5-methoxybenzoic acid|3-O-Methylgallic acid|4,5-Dihydroxy-m-anisic acid|gallic acid 3-methyl ether http://purl.obolibrary.org/obo/CHEBI_28647 3_STAR
CHEBI:28648 biolink:ChemicalSubstance beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer A sialotriaosylceramide consisting of the pentasaccharide beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc attached to the primary hydroxy function of ceramide. KEGG:C06134|KEGG:G00114|LIPID_MAPS_instance:LMSP0601AN00|PMID:1371229|PMID:1567198|PMID:16341241|PMID:1724444|PMID:2448252|PMID:25867522|PMID:6204642|PMID:7534889|PMID:7691279|PMID:9317004|Wikipedia:GD2 phenio.json (2S,3R,4E)-2-(acylamino)-3-hydroxyoctadec-4-en-1-yl 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl]-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|(Gal)1 (GalNAc)1 (Glc)1 (Neu5Ac)2 (Cer)1|GD2|GalNAc(beta1-4)[NeuAc(alpha2-8)NeuAc(alpha2-3)]Gal(beta1-4)Glc(beta1-1)Cer|GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)Gal-beta1->4Glc-beta1->1'Cer|GalNAc-beta1->4(NeuAc-alpha2->8NeuAc2->3)LacCer|GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta1-1'Cer|GalNAcbeta1->4(NeuAcalpha2->8NeuAcalpha2->3)Galbeta1->4Glc-Cer|beta-GalpNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Galp-(1->4)-beta-Glcp-(1<->1')-Cer|disialoganglioside GD2|ganglioside GD2 http://purl.obolibrary.org/obo/CHEBI_28648 3_STAR
CHEBI:28654 biolink:ChemicalSubstance 3-methyl-2-oxovalerate A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxovaleric acid, arising from deprotonation of the carboxy group; major species at pH 7.3. HMDB:HMDB0000491|KEGG:C03465|Reaxys:3904281 phenio.json 2-Oxo-3-methylpentanoate|2-Oxo-3-methylvalerate|2-keto-3-methylvalerate|3-Methyl-2-oxopentanoate|3-Methyl-2-oxovalerate|3-methyl-2-oxopentanoate|alpha-keto-beta-methylvalerate|alpha-oxo-beta-methylvalerate http://purl.obolibrary.org/obo/CHEBI_28654 3_STAR
CHEBI:28659 biolink:ChemicalSubstance phosphorus atom CAS:7723-14-0|Gmelin:16235|KEGG:C06262|WebElements:P phenio.json 15P|P|Phosphor|Phosphorus|fosforo|phosphore|phosphorus http://purl.obolibrary.org/obo/CHEBI_28659 3_STAR
CHEBI:2866 biolink:ChemicalSubstance ascaridole A p-menthane monoterpenoid that is p-menth-2-ene with a peroxy group across position 1 to 4. CAS:512-85-6|HMDB:HMDB0035766|KEGG:C09836|KNApSAcK:C00003027|PMID:24184772|PMID:24645715|Reaxys:121382|Wikipedia:Ascaridole phenio.json 1,4-epidioxy-p-menth-2-ene|1,4-peroxido-p-menthene-2|1,4-peroxy-p-menth-2-ene|1-isopropyl-4-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene|1-methyl-4-(1-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene|4-methyl-1-(propan-2-yl)-2,3-dioxabicyclo[2.2.2]oct-5-ene|Ascaridole http://purl.obolibrary.org/obo/CHEBI_2866 3_STAR
CHEBI:28660 biolink:ChemicalSubstance (-)-alpha-pinene CAS:7785-26-4|KEGG:C06308 phenio.json (-)-alpha-Pinene|(-)-alpha-pinene|(1S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene|(1S,5S)-2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|(1S,5S)-alpha-pinene|(1S,5S)-pin-2-ene http://purl.obolibrary.org/obo/CHEBI_28660 3_STAR
CHEBI:28661 biolink:ChemicalSubstance gamma-linolenic acid A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12. CAS:506-26-3|Drug_Central:1276|HMDB:HMDB0003073|KEGG:C06426|KEGG:D07213|KNApSAcK:C00001226|LIPID_MAPS_instance:LMFA01030141|MetaCyc:CPD-8117|PMID:11385052|PMID:24435467|PMID:9732298|Reaxys:1712253|Wikipedia:Gamma-Linolenic_acid phenio.json (6,9,12)-linolenic acid|(6Z,9Z,12Z)-Octadecatrienoic acid|(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid|(Z,Z,Z)-6,9,12-octadecatrienoic acid|18:3 (n-6)|6,9,12-Octadecatrienoic acid|6-cis,9-cis,12-cis-octadecatrienoic acid|C18:3 (n-6)|C18:3, n-6,9,12 all-cis|GLA|Gamolenic acid|Octadeca-6,9,12-triensaeure|all-cis-6,9,12-octadecatrienoic acid|cis-Delta(6,9,12)-octadecatrienoic acid|gamma-Linolenic acid|gamma-Linolensaeure|gamoleic acid|gamolenic acid http://purl.obolibrary.org/obo/CHEBI_28661 3_STAR
CHEBI:28663 biolink:ChemicalSubstance galactitol 1-phosphate The 1-O-phospho derivative of galactitol. CAS:15664-55-8|KEGG:C06311 phenio.json 1-O-phosphono-D-galactitol|D-Galactitol 1-phosphate|D-galactitol 1-(dihydrogen phosphate)|Galactitol 1-phosphate|L-Galactitol 6-phosphate http://purl.obolibrary.org/obo/CHEBI_28663 3_STAR
CHEBI:28666 biolink:ChemicalSubstance leukotriene D4 A leukotriene that is (7E,9E,11Z,14Z)-icosa-7,9,11,14-tetraenoic acid substituted by a hydroxy group at position 5 (5S) and a L-cysteinylglycinyl group at position 6 (6R). CAS:73836-78-9|HMDB:HMDB0003080|KEGG:C05951|LIPID_MAPS_instance:LMFA03020006|PMID:23825762|PMID:9160411|Reaxys:4726738|Wikipedia:Leukotriene_D4 phenio.json (R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)glycine|5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acid|LTD4|Leukotriene D4|S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteinylglycine http://purl.obolibrary.org/obo/CHEBI_28666 3_STAR
CHEBI:28667 biolink:ChemicalSubstance 11-dehydro-thromboxane B2 A thromboxane obtained by formal oxidation of the hemiacetal hydroxy function of thromboxane B2. CAS:67910-12-7|HMDB:HMDB0004242|KEGG:C05964|LIPID_MAPS_instance:LMFA03030004|Reaxys:5826438 phenio.json (5E)-7-[(2R,3S,4S)-4-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-oxooxan-3-yl]hept-5-enoic acid|(5Z,13E,15S)-9alpha,15-dihydroxy-11-oxothromboxa-5,13-dien-1-oic acid|11-Dehydro-thromboxane B2|11-Dehydro-txb2|11-DehydroTXB2|11-Dehydrothromboxane|11-Dehydrothromboxane B2|11-Keto-thromboxane B2|11-dehydro-TXB2 http://purl.obolibrary.org/obo/CHEBI_28667 3_STAR
CHEBI:28669 biolink:ChemicalSubstance bacitracin A mixture of at least nine closely related homodetic cyclic peptides produced by Bacillus subtilis and B. licheniformis, which is particularly active against Gram-positive bacteria. CAS:1405-87-4|DrugBank:DB00626|KEGG:C01667|KEGG:D00128|PMID:22114686|Wikipedia:Bacitracin phenio.json Baciim|Bacitracin|bacitracin|bacitracina|bacitracine|bacitracins|bacitracinum http://purl.obolibrary.org/obo/CHEBI_28669 3_STAR
CHEBI:28670 biolink:ChemicalSubstance neopterin Wikipedia:Neopterin phenio.json 1-(2-amino-4-hydroxy-6-pteridinyl)-1,2,3-propanetriol|2-amino-6-(1,2,3-trihydroxypropyl)-4(3H)-pteridinone|2-amino-6-(1,2,3-trihydroxypropyl)pteridin-4(3H)-one|6-(1',2',3'-trihydroxy)pterin|neopterine http://purl.obolibrary.org/obo/CHEBI_28670 3_STAR
CHEBI:28675 biolink:ChemicalSubstance dextrin Glucans produced by the hydrolysis of starch or glycogen. They are mixtures of polymers of D-glucose units linked by alpha(1->4) or alpha(1->6) glycosidic bonds. CAS:9004-53-9|FooDB:FDB012148|HMDB:HMDB0006857|KEGG:C00721|Wikipedia:Dextrin phenio.json dextrine|dextrines|dextrins http://purl.obolibrary.org/obo/CHEBI_28675 3_STAR
CHEBI:28680 biolink:ChemicalSubstance cytarabine A pyrimidine nucleoside in which cytosine is attached to D-arabinofuranose via a beta-N(1)-glycosidic bond. Used mainly in the treatment of leukaemia, especially acute non-lymphoblastic leukaemia, cytarabine is an antimetabolite antineoplastic agent that inhibits the synthesis of DNA. It also has antiviral and immunosuppressant properties. CAS:147-94-4|DrugBank:DB00987|Drug_Central:770|HMDB:HMDB0015122|KEGG:C02961|KEGG:D00168|LINCS:LSM-5470|PDBeChem:AR3|PMID:15492802|Reaxys:89175|Wikipedia:Cytarabine phenio.json 1-beta-D-Arabinofuranosylcytosine|4-Amino-1-beta-D-arabinofuranosyl-2(1H)-pyrimidinone|4-amino-1-beta-D-arabinofuranosylpyrimidin-2(1H)-one|Arabinoside C|Cytarabine|Cytosine arabinoside|Cytosine-1-beta-D-arabinofuranoside|ara-C|arabinocytosine|citarabina|cytarabine|cytarabinum|cytosine-beta-D-arabinofuranoside http://purl.obolibrary.org/obo/CHEBI_28680 3_STAR
CHEBI:28681 biolink:ChemicalSubstance N,N'-diacetylchitobiose The N,N'-diacetylated derivative of chitobiose, but with no stereodesignation for the anomeric carbon atom. Beilstein:1443239|CAS:35061-50-8|GlyGen:G07982RO|GlyTouCan:G07982RO|KEGG:C01674|KEGG:G10336|PMID:20056550|PMID:32568414 phenio.json 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-D-glucopyranose|Chitobiose|Diacetylchitobiose|N,N'-Diacetylchitobiose|N,N'-diacetylchitobiose|WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2/a4-b1 http://purl.obolibrary.org/obo/CHEBI_28681 3_STAR
CHEBI:28683 biolink:ChemicalSubstance kynurenine A ketone that is alanine in which one of the methyl hydrogens is substituted by a 2-aminobenzoyl group. CAS:343-65-7|KEGG:C01718|PMID:14651996|PMID:16139256|PMID:17386621|PMID:19027117|PMID:22770225|Reaxys:2697333 phenio.json 2-amino-4-(2-aminophenyl)-4-oxobutanoic acid|Kynurenine http://purl.obolibrary.org/obo/CHEBI_28683 3_STAR
CHEBI:28684 biolink:ChemicalSubstance 4-acetamidobutanoyl-CoA An acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of 4-acetamidobutanoic acid. KEGG:C03357|PMID:6788773 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(4-acetamidobutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|4-Acetamidobutanoyl-CoA|4-acetamidobutanoyl-coenzyme A|4-acetamidobutyryl-CoA|4-acetamidobutyryl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28684 3_STAR
CHEBI:28685 biolink:ChemicalSubstance molybdenum atom CAS:7439-98-7|Gmelin:16205|KEGG:C00150|WebElements:Mo phenio.json 42Mo|Mo|Molybdaen|Molybdenum|molibdeno|molybdene|molybdenum http://purl.obolibrary.org/obo/CHEBI_28685 3_STAR
CHEBI:28689 biolink:ChemicalSubstance dehydroepiandrosterone An androstanoid that is androst-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 17. It is a naturally occurring steroid hormone produced by the adrenal glands. CAS:53-43-0|DrugBank:DB01708|Drug_Central:795|HMDB:HMDB0000077|KEGG:C01227|KEGG:D08409|LIPID_MAPS_instance:LMST02020021|MetaCyc:3-BETA-HYDROXYANDROST-5-EN-17-ONE|PDBeChem:AND|PMID:14662261|PMID:18634257|PMID:24256992|PMID:24424045|Reaxys:2058110|Wikipedia:Dehydroepiandrosterone phenio.json 3-BETA-HYDROXY-5-ANDROSTEN-17-ONE|3beta-Hydroxyandrost-5-en-17-one|3beta-hydroxyandrost-5-en-17-one|DHA|DHEA|Dehydroepiandrosterone|Dehydroisoandrosterone|Intrarosa|Prasterone http://purl.obolibrary.org/obo/CHEBI_28689 3_STAR
CHEBI:28694 biolink:ChemicalSubstance copper atom CAS:7440-50-8|Gmelin:16269|KEGG:C00070|WebElements:Cu phenio.json 29Cu|Copper|Cu|Kupfer|cobre|copper|cuivre|cuprum http://purl.obolibrary.org/obo/CHEBI_28694 3_STAR
CHEBI:28697 biolink:ChemicalSubstance 21-deoxycortisol A deoxycortisol that is 17xi-pregn-4-ene-3,20-dione substituted by a beta-hydroxy group at position 11 and an alpha-hydroxy group at position 17. It is a marker of virilizing adrenal hyperplasia caused by 21-hydroxylase deficiency. CAS:641-77-0|FooDB:FDB023283|HMDB:HMDB0004030|KEGG:C05497|LIPID_MAPS_instance:LMST02030195|PMID:10731638|PMID:16551734|PMID:17456574|PMID:2531882|PMID:2555382|PMID:2614011|PMID:2827419|PMID:28499151|PMID:28610588|PMID:28774496|PMID:2986404|PMID:31450227|PMID:3258316|PMID:4372245|PMID:6310249|PMID:8055790|PMID:845476|PMID:8753277|Wikipedia:21-Deoxycortisol phenio.json (1R,3aS,3bS,9aR,9bS,10S,11aS)-1-acetyl-1,10-dihydroxy-9a,11a-dimethyl-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one|11-beta,17-alpha-dihydroxypregn-4-ene-3,20-dione|11beta,17-dihydroxypregn-4-ene-3,20-dione|11beta,17-dihydroxyprogesterone|11beta,17alpha-dihydroxypregn-4-ene-3,20-dione|11beta,17alpha-dihydroxyprogesterone|21-deoxycortisol|4-pregnene-11beta,17alpha-diol-3,20-dione|pregn-4-ene-11beta,17alpha-diol-3,20-dione http://purl.obolibrary.org/obo/CHEBI_28697 3_STAR
CHEBI:28699 biolink:ChemicalSubstance cyclic 2,3-bisphospho-D-glyceric acid CAS:88280-54-0 phenio.json (6R)-2,4-dihydroxy-1,3,5,2,4-trioxadiphosphepane-6-carboxylic acid 2,4-dioxide|2,3-Cpp|2,3-Cyclopyrophosphoglycerate|Cycl dpg|Cyclic 2,3-bisphospho-D-glycerate|Cyclic 2,3-diphospho-D-glycerate|Cyclic glycerate-2,3P2|Cyclic-2,3-diphosphoglycerate|cDPG http://purl.obolibrary.org/obo/CHEBI_28699 3_STAR
CHEBI:28700 biolink:ChemicalSubstance 20-hydroxy-leukotriene E4 CAS:111844-33-8|KEGG:C03577|LIPID_MAPS_instance:LMFA03020025 phenio.json (5S,6R,7E,9E,11Z,14Z)-6-(cystein-S-yl)-5,20-dihydroxyicosa-7,9,11,14-tetraenoic acid|20-Hydroxy-leukotriene E4|20-OH-LTE4|20-OH-Leukotriene E4|20-hydroxy-leukotriene E4|S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-15-hydroxypentadeca-2,4,6,9-tetraen-1-yl}-L-cysteine http://purl.obolibrary.org/obo/CHEBI_28700 3_STAR
CHEBI:28701 biolink:ChemicalSubstance chenodeoxycholoyl-CoA A choloyl-CoA formed by thioester linkage between chenodeoxycholic acid and coenzyme A. KEGG:C05337|PMID:10817395|PMID:10884298|PMID:11673457|PMID:2722825 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3alpha,7alpha-Dihydroxy-5beta-cholanoyl-CoA|Chenodeoxycholoyl-CoA|chenodeoxycholoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28701 3_STAR
CHEBI:28706 biolink:ChemicalSubstance trans-hex-2-enoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-hex-2-enoic acid. HMDB:HMDB0003944|KEGG:C05271|LIPID_MAPS_instance:LMFA07050019 phenio.json (2E)-Hexenoyl-CoA|(2E)-hexenoyl-coenzyme A|2E-hexenoyl-CoA|2E-hexenoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hex-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|trans-2,3-dehydrohexanoyl-CoA|trans-2,3-dehydrohexanoyl-coenzyme A|trans-2-hexenoyl-coenzyme A|trans-Hex-2-enoyl-CoA|trans-hex-2-enoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_28706 3_STAR
CHEBI:28708 biolink:ChemicalSubstance 3-isopropylcatechol A member of the class of catechols that is catechol in which one of the hydrogens that is ortho to a hydroxy group has been replaced by an isopropyl group. CAS:2138-48-9|KEGG:C01014|MetaCyc:CPD-14151|PMID:7811094|PMID:8899984|Reaxys:2043545 phenio.json 1,2-dihydroxy-3-isopropyl benzene|3-(1-methylethyl)-1,2-benzenediol|3-isopropylbenzene-1,2-diol|3-isopropylcatechol|3-isopropylpyrocatechol http://purl.obolibrary.org/obo/CHEBI_28708 3_STAR
CHEBI:28714 biolink:ChemicalSubstance S-butyl-DL-homocysteine (S,R)-sulfoximine A sulfoximide that is the sulfoximine derivative of an analogue of DL-methionine in which the S-methyl group is replaced by S-butyl. Beilstein:236716|CAS:5072-26-4|KEGG:C04543|LINCS:LSM-36606|PMID:27008382|PMID:27764704|PMID:29127710|PMID:31302132|PMID:32965035|PMID:34036678|Wikipedia:Buthionine_sulfoximine phenio.json (2RS)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid|(2RS)-2-amino-4-(S-butylsulfonimidoyl)butyric acid|Buthionine sulfoximine|DL-butathionine-(S,R)-sulfoximine|DL-buthionine sulfoximine|S-butyl-DL-homocysteine-[S,R]-sulfoximine|buthionine sulfoximine|buthionine sulphoximine http://purl.obolibrary.org/obo/CHEBI_28714 3_STAR
CHEBI:28716 biolink:ChemicalSubstance palmitoleic acid A hexadec-9-enoic acid in which the double bond at position C-9 has cis configuration. CAS:373-49-9|DrugBank:DB04257|HMDB:HMDB0003229|KEGG:C08362|KNApSAcK:C00001234|KNApSAcK:C00029354|LIPID_MAPS_instance:LMFA01030056|PDBeChem:PAM|PMID:19761868|PMID:24362891|Reaxys:1725389 phenio.json (9Z)-Hexadecenoic acid|(9Z)-hexadec-9-enoic acid|(Z)-9-hexadecenoic acid|(Z)-hexadec-9-enoic acid|16:1Delta9|9-cis-hexadecenoic acid|Oleopalmitic acid|PALMITOLEIC ACID|Palmitoleic acid|Zoomeric acid|cis-9-Hexadecenoic acid|cis-9-Palmitoleic acid|cis-Delta(9)-hexadecenoic acid|cis-Palmitoleic acid|cis-delta-9-Hexadecenoic acid|palmitolinoleic acid|zoomaric acid http://purl.obolibrary.org/obo/CHEBI_28716 3_STAR
CHEBI:28718 biolink:ChemicalSubstance L-allothreonine The L-enantiomer of allothreonine. CAS:28954-12-3|HMDB:HMDB0004041|KEGG:C05519|PDBeChem:ALO|PMID:15726349|PMID:17597243|PMID:9151955|Reaxys:1721645 phenio.json (2S,3S)-2-amino-3-hydroxybutanoic acid|ALLO-THREONINE|L-Allothreonine|L-allo-Threonine|L-allothreonine|allo-L-threonine http://purl.obolibrary.org/obo/CHEBI_28718 3_STAR
CHEBI:28719 biolink:ChemicalSubstance 4-hydroxyphenylglyoxylic acid CAS:15573-67-8|KEGG:C03590 phenio.json (4-hydroxyphenyl)(oxo)acetic acid|4-Hydroxybenzoylformate|4-Hydroxyphenylglyoxylate|4-Hydroxyphenylglyoxylic acid|4-hydroxybenzoylformate|4-hydroxyphenylglyoxylate|Pisolithin A http://purl.obolibrary.org/obo/CHEBI_28719 3_STAR
CHEBI:28721 biolink:ChemicalSubstance ribulose CAS:488-84-6|CAS:5556-48-9|KEGG:C05052|Wikipedia:Ribulose phenio.json Ribulose|erythro-pent-2-ulose|ribulose http://purl.obolibrary.org/obo/CHEBI_28721 3_STAR
CHEBI:28723 biolink:ChemicalSubstance D-glycero-D-manno-heptose 7-phosphate D-glycero-D-manno-heptose in which the hydrogen of the primary hydroxy group is substituted by a dihydrogen phosphate group. Beilstein:10187566|KEGG:C07836|KNApSAcK:C00019574|PDBeChem:M7P phenio.json 7-O-phosphono-D-glycero-D-manno-heptose|D-glycero-D-manno-Heptose 7-phosphate|D-glycero-D-manno-heptose 7-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_28723 3_STAR
CHEBI:28724 biolink:ChemicalSubstance 9,10-dihydroxyoctadecanoic acid A hydroxy-fatty acid formally derived from octacecanoic (stearic) acid by hydroxy substitution at positions 9 and 10. CAS:120-87-6|Gmelin:383116|LIPID_MAPS_instance:LMFA02000142|PMID:15005144|Reaxys:1728015 phenio.json 9,10-DHSA|9,10-Dihydroxystearinsaeure|9,10-diOH 18:0|9,10-diOH C18:0|9,10-dihydroxyoctadecanoic acid|9,10-dihydroxystearic acid|DHSA|Dioxystearinsaeure http://purl.obolibrary.org/obo/CHEBI_28724 3_STAR
CHEBI:28725 biolink:ChemicalSubstance N(6')-acetylkanamycin phenio.json N(6')-acetylkanamycin|N(6')-acetylkanamycins http://purl.obolibrary.org/obo/CHEBI_28725 3_STAR
CHEBI:28726 biolink:ChemicalSubstance 3-oxotetradecanoyl-CoA KEGG:C05261 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxotetradecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}|3-Oxotetradecanoyl-CoA|3-oxomyristoyl-CoA http://purl.obolibrary.org/obo/CHEBI_28726 3_STAR
CHEBI:28728 biolink:ChemicalSubstance thromboxane B2 A member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15. CAS:54397-85-2|HMDB:HMDB0003252|KEGG:C05963|LIPID_MAPS_instance:LMFA03030002|PMID:24433337|PMID:24786190|PMID:7847191|Reaxys:1399489|Wikipedia:Thromboxane_B2 phenio.json (5Z,13E,15S)-9alpha,11,15-trihydroxythromboxa-5,13-dien-1-oic acid|TXB2|Thromboxane B2 http://purl.obolibrary.org/obo/CHEBI_28728 3_STAR
CHEBI:28729 biolink:ChemicalSubstance alpha-D-mannose D-Mannopyranose having alpha-configuration at the anomeric centre. CAS:3458-28-4|CAS:7296-15-3|DrugBank:DB02944|GlyGen:G61491DK|GlyTouCan:G61491DK|Gmelin:185283|KEGG:C00936|KNApSAcK:C00001126|PDBeChem:MAN|PMID:19443021|PMID:25568069|PMID:31537530|Reaxys:1281606 phenio.json ALPHA-D-MANNOSE|WURCS=2.0/1,1,0/[a1122h-1a_1-5]/1/|alpha-D-Man|alpha-D-Mannose|alpha-D-mannopyranose http://purl.obolibrary.org/obo/CHEBI_28729 3_STAR
CHEBI:2873 biolink:ChemicalSubstance asiatic acid A pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). It is isolated from Symplocos lancifolia and Vateria indica and exhibits anti-angiogenic activity. CAS:464-92-6|KEGG:C08617|KNApSAcK:C00003739|PDBeChem:0AS|PMID:21265555|PMID:21288041|PMID:21561086|PMID:23102509|Patent:JP2012092110|Patent:TW200938215|Reaxys:2712715 phenio.json (2alpha,3beta)-2,3,23-trihydroxyurs-12-en-28-oic acid|Asiatic acid http://purl.obolibrary.org/obo/CHEBI_2873 3_STAR
CHEBI:28737 biolink:ChemicalSubstance digalacturonate A carbohydrate acid anion resulting from the deprotonation of the carboxy groups of any digalacturonic acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_28737 3_STAR
CHEBI:28741 biolink:ChemicalSubstance sodium fluoride A metal fluoride salt with a Na(+) counterion. CAS:7681-49-4|KEGG:C08142|KEGG:D00943|Wikipedia:Sodium_Fluoride phenio.json NaF|Sodium fluoride|sodium fluoride http://purl.obolibrary.org/obo/CHEBI_28741 3_STAR
CHEBI:28747 biolink:ChemicalSubstance picolinic acid A pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan. CAS:98-98-6|Gmelin:3318|HMDB:HMDB0002243|KEGG:C10164|KNApSAcK:C00002063|MetaCyc:PICOLINATE|PDBeChem:6PC|PMID:15206716|PMID:15206793|PMID:15290459|PMID:16303883|PMID:23630570|PMID:24119749|PMID:7064867|PMID:7969932|Reaxys:109595|Wikipedia:Picolinic_acid phenio.json 2-Picolinic acid|2-Pyridinecarboxylic acid|2-carboxypyridine|PYRIDINE-2-CARBOXYLIC ACID|Picolinic acid|alpha-picolinic acid|alpha-pyridinecarboxylic acid|o-pyridinecarboxylic acid|pyridine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_28747 3_STAR
CHEBI:28748 biolink:ChemicalSubstance doxorubicin CAS:23214-92-8|DrugBank:DB00997|Drug_Central:960|KEGG:C01661|KEGG:D03899|LINCS:LSM-4062|LIPID_MAPS_instance:LMPK13050001|PDBeChem:DM2 phenio.json (1S,3S)-3,5,12-trihydroxy-3-(hydroxyacetyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside|(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside|(8S-cis)-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-5,12-naphthacenedione|14-hydroxydaunomycin|14-hydroxydaunorubicine|Adriamycin|DOXORUBICIN|Doxorubicin|doxorubicin|doxorubicine|doxorubicinum http://purl.obolibrary.org/obo/CHEBI_28748 3_STAR
CHEBI:28749 biolink:ChemicalSubstance aryl beta-D-glucoside KEGG:C03097 phenio.json Aryl beta-D-glucoside|aryl beta-D-glucoside|aryl beta-D-glucosides http://purl.obolibrary.org/obo/CHEBI_28749 3_STAR
CHEBI:28750 biolink:ChemicalSubstance 17alpha-hydroxypregnenolone A hydroxypregnenolone carrying an alpha-hydroxy group at position 17. CAS:387-79-1|HMDB:HMDB0000363|KEGG:C05138|LIPID_MAPS_instance:LMST02030089|MetaCyc:CPD66-23|PMID:12213889|PMID:20963882|PMID:21787799|PMID:23647561|Reaxys:2337329|Wikipedia:17-Hydroxypregnenolone phenio.json (3beta)-3,17-dihydroxypregn-5-en-20-one|17-hydroxypregnenolone|17alpha-Hydroxypregnenolone|17alpha-hydroxypregnenolone|3beta,17-dihydroxypregn-5-en-20-one|5-pregnen-3beta,17alpha-diol-20-one http://purl.obolibrary.org/obo/CHEBI_28750 3_STAR
CHEBI:28751 biolink:ChemicalSubstance biochanin A 7-O-beta-D-glucoside A glycosyloxyisoflavone that is biochanin A attached to a beta-D-glucopyranosyl residue at position 7 via glycosidic linkage. AGR:IND44720943|CAS:5928-26-7|HMDB:HMDB0033990|KEGG:C05376|PMID:16650770|PMID:22926873|PMID:23030687|PMID:23397722|Reaxys:1302649 phenio.json 5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside|Biochanin A 7-O-beta-D-glucoside|Biochanin A-beta-D-glucoside|Sissotrin|biochanin A 7-O-beta-D-glucoside|sissotrin http://purl.obolibrary.org/obo/CHEBI_28751 3_STAR
CHEBI:28755 biolink:ChemicalSubstance 2,4,6-trichlorophenol A trichlorophenol with phenolic substituents on positions 2, 4 and 6. CAS:88-06-2|Gmelin:3766|KEGG:C07098|MetaCyc:TRICHLOROPHENOL|PDBeChem:T6C|PMID:21863115|PMID:22748215|PMID:23995979|PMID:24078273|Reaxys:776729|UM-BBD_compID:c0330|Wikipedia:2,4,6-Trichlorophenol phenio.json 1,3,5-Trichloro-2-hydroxybenzene|2,4,6-TCP|2,4,6-Trichlorophenol|2,4,6-trichlorophenol http://purl.obolibrary.org/obo/CHEBI_28755 3_STAR
CHEBI:28757 biolink:ChemicalSubstance fructose A ketohexose that is an isomer of glucose. CAS:30237-26-4|DrugBank:DB04173|KEGG:C01496|Wikipedia:Fructose phenio.json Fru|Fruchtzucker|Fructose|Fruktose|arabino-Hexulose|arabino-hex-2-ulose|fructose http://purl.obolibrary.org/obo/CHEBI_28757 3_STAR
CHEBI:28761 biolink:ChemicalSubstance N-acetyl-D-galactosaminide KEGG:C02848 phenio.json N-Acetyl-D-galactosaminide|N-acetyl-D-galactosaminides http://purl.obolibrary.org/obo/CHEBI_28761 3_STAR
CHEBI:28763 biolink:ChemicalSubstance 4,4'-dichlorodiphenylmethane A chlorophenylmethane that is methane in which two of the hydrogens have been replaced by p-chlorophenyl groups. Beilstein:1873121|CAS:101-76-8|Gmelin:1851655|KEGG:C06641|UM-BBD_compID:c0503 phenio.json 1,1'-methylenebis(4-chlorobenzene)|1-chloro-4-(4-chlorobenzyl)benzene|4,4'-dichlorodiphenylmethane|Bis(4'-chlorophenyl)methane|DDM|bis(4-chlorophenyl)methane|bis(p-chlorophenyl)methane|bis-(4-chlorophenyl)-methane|di(4-chlorophenyl)methane|di(p-chlorophenyl)methane|p,p'-dichlorodiphenylmethane http://purl.obolibrary.org/obo/CHEBI_28763 3_STAR
CHEBI:28765 biolink:ChemicalSubstance phosphatidylinositol phosphate Any member of the phosphoinositide family of compounds, of which seven occur naturally. PMID:16441841|PMID:2538726 phenio.json phosphatidylinositol phosphates http://purl.obolibrary.org/obo/CHEBI_28765 3_STAR
CHEBI:28766 biolink:ChemicalSubstance uroporphyrinogen I Beilstein:605191|CAS:1867-62-5|KEGG:C05766|MetaCyc:CPD-11444|PMID:17345569|PMID:6724109|PMID:9019298 phenio.json 3,8,13,18-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrapropanoic acid|3,8,13,18-tetrakis(carboxymethyl)-5,10,15,20,22,24-hexahydroporphyrin-2,7,12,17-tetrapropionic acid|Uroporphyrinogen I|uro'gen I|uroporphyrinogen-I http://purl.obolibrary.org/obo/CHEBI_28766 3_STAR
CHEBI:28767 biolink:ChemicalSubstance 2-deoxy-D-ribose 1,5-bisphosphate KEGG:C04175 phenio.json 2-Deoxy-D-ribose 1,5-bisphosphate|2-deoxy-1,5-di-O-phosphono-D-erythro-pentofuranose|2-deoxy-D-erythro-pentofuranose 1,5-bis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_28767 3_STAR
CHEBI:28768 biolink:ChemicalSubstance p-cymene A monoterpene that is toluene substituted by an isopropyl group at position 4. BPDB:2018|CAS:99-87-6|Gmelin:305912|HMDB:HMDB0005805|KEGG:C06575|KNApSAcK:C00003040|LIPID_MAPS_instance:LMPR0102090014|MetaCyc:CPD-1001|PMID:11341314|PMID:15508832|PMID:17826989|PMID:19040104|PMID:24023812|PMID:24421258|Reaxys:1903377|UM-BBD_compID:c0375|Wikipedia:P-cymene phenio.json 1-isopropyl-4-methylbenzene|1-methyl-4-(1-methylethyl)benzene|1-methyl-4-(propan-2-yl)benzene|1-methyl-4-isopropylbenzene|4-Isopropyl-1-methylbenzene|4-Isopropyltoluene|4-Methyl-1-isopropylbenzene|4-cymene|4-methyl-1-(propan-2-yl)benzene|Cymene|Isopropyltoluene|Para-cymene|p-Cymene|p-cimene|p-cymene|p-cymol|p-isopropyltoluene|p-methylcumene|p-methylisopropylbenzene http://purl.obolibrary.org/obo/CHEBI_28768 3_STAR
CHEBI:2877 biolink:ChemicalSubstance aspartame A dipeptide obtained by formal condensation of the alpha-carboxy group of L-aspartic acid with the amino group of methyl L-phenylalaninate. Commonly used as an artificial sweetener. CAS:22839-47-0|DrugBank:DB00168|HMDB:HMDB0001894|KEGG:C11045|KEGG:D02381|PDBeChem:PME|PMID:1771173|PMID:2013754|PMID:21150094|PMID:21372000|PMID:22354473|PMID:24355796|PMID:24925367|PMID:24944748|PMID:24965331|PMID:25431414|PMID:25543075|PMID:25786106|PMID:25951455|PMID:25991916|PMID:26015492|PMID:26099025|PMID:26159964|PMID:26247507|PMID:26308194|PMID:26321723|PMID:26377607|PMID:26582819|PMID:26593524|PMID:26912665|PMID:27015640|PMID:27038223|PMID:27088715|PMID:27127997|PMID:27216413|PMID:27298583|PMID:27492574|PMID:27565676|PMID:27614095|PMID:27640132|PMID:27699780|PMID:27728881|PMID:27840415|PMID:27845306|PMID:30000570|PMID:37291632|PMID:37297402|PMID:37454665|Patent:US3492131|Reaxys:2223850|Wikipedia:Aspartame phenio.json 1-methyl N-L-alpha-aspartyl-L-phenylalanate|3-Amino-N-(alpha-carboxyphenethyl)succinamic acid N-methyl ester|3-Amino-N-(alpha-methoxycarbonylphenethyl) succinamic acid|AminoSweet|Asp-phe-ome|Aspartame|Aspartylphenylalanine methyl ester|E 951|L-Aspartyl-L-phenylalanine methyl ester|NutraSweet|Sanecta|aspartam|aspartamo|aspartamum|methyl L-alpha-aspartyl-L-phenylalaninate http://purl.obolibrary.org/obo/CHEBI_2877 3_STAR
CHEBI:28770 biolink:ChemicalSubstance norlaudanosoline Beilstein:313061|CAS:4747-99-3|KEGG:C06350 phenio.json (R,S)-Norlaudanosoline|1-(3,4-dihydroxybenzyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol|Norlaudanosoline|Tetrahydropapaveroline http://purl.obolibrary.org/obo/CHEBI_28770 3_STAR
CHEBI:28774 biolink:ChemicalSubstance 3,3',5'-triiodothyronine Beilstein:2823534|KEGG:C07639 phenio.json 3,3',5'-Triiodothyronine|3,3',5'-triiodothyronine|4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenylalanine|O-(4-hydroxy-3,5-diiodophenyl)-3-iodotyrosine|Reverse triiodothyronine|Triiodothyronine, reverse http://purl.obolibrary.org/obo/CHEBI_28774 3_STAR
CHEBI:28776 biolink:ChemicalSubstance gamma-glutamyl-Se-methylselenocysteine A dipeptide obtained by formal condensation of the gamma-carboxy group of glutamic acid with the amino group of Se-methylselenocysteine. FooDB:FDB027866|HMDB:HMDB0010716|KEGG:C05695|PMID:10888499|PMID:11306469|PMID:14745183|PMID:16161771|PMID:16435092|PMID:18320173|PMID:20005330|PMID:9570912 phenio.json 5-glutamyl-Se-methylselenocysteine|gamma-glutamyl-3-(methylselanyl)alanine|gamma-glutamyl-Se-methylselenocysteine|gamma-glutamyl-SeMC http://purl.obolibrary.org/obo/CHEBI_28776 3_STAR
CHEBI:28777 biolink:ChemicalSubstance liquiritigenin A dihydroxyflavanone compound having the two hydroxy substituents at the 4'- and 7-positions. Isolated from the root of Glycyrrhizae uralensis, it is a selective agonist for oestrogen receptor beta. CAS:578-86-9|HMDB:HMDB0029519|KEGG:C09762|KNApSAcK:C00000977|LIPID_MAPS_instance:LMPK12140061|PDBeChem:DFV|PMID:17950610|PMID:18177995|PMID:21866899|Reaxys:3593780|Wikipedia:Liquiritigenin phenio.json (-)-liquiritigenin|(2S)-7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one|(2S)-7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one|(2S)-liquiritigenin|4',7-Dihydroxyflavanone|7,4'-Dihydroxyflavanone|7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE|Liquiritigenin http://purl.obolibrary.org/obo/CHEBI_28777 3_STAR
CHEBI:28783 biolink:ChemicalSubstance zinc protoporphyrin Beilstein:4932319|Beilstein:8184206|CAS:15442-64-5|DrugBank:DB03934|Gmelin:403138|KEGG:C03184|PDBeChem:ZNH phenio.json (7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoato)zinc(II)|(protoporphyrinato)zinc(II)|PROTOPORPHYRIN IX CONTAINING ZN|ZPP|Zinc protoporphyrin|Zinc protoporphyrin-9|Zn(ppIX)|[Zn(ppIX)]|zinc-protoporphyrin IX http://purl.obolibrary.org/obo/CHEBI_28783 3_STAR
CHEBI:28785 biolink:ChemicalSubstance (+)-ureidoglycolic acid CAS:103192-53-6|KEGG:C02766|KNApSAcK:C00007465 phenio.json (+)-Ureidoglycolate|(+)-ureidoglycolate|(2R)-(carbamoylamino)(hydroxy)acetic acid|(R)-Ureidoglycolate http://purl.obolibrary.org/obo/CHEBI_28785 3_STAR
CHEBI:28787 biolink:ChemicalSubstance nitroglycerin A nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood vessels and so alleviate heart pain. CAS:55-63-0|DrugBank:DB00727|Drug_Central:1952|Gmelin:165859|KEGG:C07455|KEGG:D00515|PMID:11016328|PMID:11470751|PMID:11943517|PMID:22040938|PMID:22675243|PMID:23205544|PMID:23301717|PMID:9492718|Reaxys:1802063|UM-BBD_compID:c0061|Wikipedia:Glyceryl_trinitrate_(pharmacology)|Wikipedia:Nitroglycerin phenio.json 1,2,3-propanetrioltrinitrate|1,2,3-propanetriyl nitrate|1,2,3-trinitrooxypropane|Glyceryl trinitrate|Minitran|NG|Natispray|Nitro-Dur|Nitroglycerin|Nitrolingual|Nitromist|Nitrostat|Rectogesic|Transderm Nitro|glycerin trinitrate|glycerol trinitrate|glycerol, nitric acid triester|nitroglycerin|nitroglycerine|nitroglycerol|propane-1,2,3-triyl trinitrate|trinitroglycerin|trinitroglycerol http://purl.obolibrary.org/obo/CHEBI_28787 3_STAR
CHEBI:28788 biolink:ChemicalSubstance quinoline-3,4-diol KEGG:C06330 phenio.json 3,4-Dihydroxyquinoline|3,4-dihydroxyquinoline|Quinoline-3,4-diol|quinoline-3,4-diol http://purl.obolibrary.org/obo/CHEBI_28788 3_STAR
CHEBI:28789 biolink:ChemicalSubstance L-glucitol The L-enantiomer of glucitol. CAS:6706-59-8|ECMDB:ECMDB00247|Gmelin:648560|KEGG:C01722|MetaCyc:CPD-12810|PMID:19695255|Reaxys:1721906|YMDB:YMDB00724 phenio.json (2R,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol|D-Gulitol|D-gulitol|L-Glucitol|L-Sorbitol|L-glucitol|L-sorbitol http://purl.obolibrary.org/obo/CHEBI_28789 3_STAR
CHEBI:28790 biolink:ChemicalSubstance serotonin A primary amino compound that is the 5-hydroxy derivative of tryptamine. CAS:50-67-9|Gmelin:1861995|HMDB:HMDB0000259|KEGG:C00780|KNApSAcK:C00001429|LINCS:LSM-6589|MetaCyc:SEROTONIN|PDBeChem:SRO|PMID:18593914|PMID:22770225|PMID:24136337|Reaxys:143524|Wikipedia:Serotonin phenio.json 3-(2-Aminoethyl)-1H-indol-5-ol|3-(2-aminoethyl)-1H-indol-5-ol|5-HT|5-Hydroxytryptamine|Enteramine|SEROTONIN|Serotonin|serotonine|thrombocytin|thrombotonin http://purl.obolibrary.org/obo/CHEBI_28790 3_STAR
CHEBI:28792 biolink:ChemicalSubstance erucic acid A docosenoic acid having a cis- double bond at C-13. It is found particularly in brassicas - it is a major component of mustard and rapeseed oils and is produced by broccoli, Brussels sprouts, kale, and wallflowers. CAS:112-86-7|Gmelin:177365|HMDB:HMDB0002068|KEGG:C08316|KNApSAcK:C00001217|LIPID_MAPS_instance:LMFA01030089|MetaCyc:CPD-14292|PMID:1170010|PMID:7847331|Reaxys:1728049|Wikipedia:Erucic_acid phenio.json (13Z)-13-docosenoic acid|(13Z)-Docosenoic acid|(13Z)-docos-13-enoic acid|(Z)-13-docosenoic acid|(Z)-docos-13-enoic acid|13-cis-docosenoic acid|22:1omega9|C22:1n-9|Erucasaeure|Erucic acid|cis-13-Docosenoic acid|cis-Delta(13)-docosenoic acid|cis-eruic acid|docos-13c-enoic acid http://purl.obolibrary.org/obo/CHEBI_28792 3_STAR
CHEBI:28793 biolink:ChemicalSubstance beta-D-glucan CAS:9041-22-9|KEGG:C00551 phenio.json beta-D-Glucan|beta-D-glucans|beta-Glucan http://purl.obolibrary.org/obo/CHEBI_28793 3_STAR
CHEBI:28794 biolink:ChemicalSubstance coumarin A chromenone having the keto group located at the 2-position. CAS:91-64-5|DrugBank:DB04665|Drug_Central:738|Gmelin:165222|HMDB:HMDB0001218|KEGG:C05851|KEGG:D07751|KNApSAcK:C00002460|LINCS:LSM-2519|MetaCyc:COUMARIN|PDBeChem:COU|PMID:16086027|PMID:16822524|PMID:17988284|PMID:19025869|PMID:20206186|PMID:21046436|PMID:21462332|PMID:21798343|PMID:28166217|PMID:8735869|Reaxys:383644|Wikipedia:Coumarin phenio.json 1,2-Benzopyrone|2-Propenoic acid, 3-(2-hydroxyphenyl)-, d-lactone|2-Propenoic acid, 3-(2-hydroxyphenyl)-, delta-lactone|2H-1-Benzopyran-2-one|2H-benzo[b]pyran-2-one|2H-chromen-2-one|5,6-Benzo-2-pyrone|Benzo-a-pyrone|Benzo-alpha-pyrone|Coumarine|Coumarinic anhydride|Cumarin|Rattex|Tonka bean camphor|cis-o-Coumarinic acid lactone|o-Hydroxycinnamic acid lactone|o-hydroxycinnamic acid delta-lactone http://purl.obolibrary.org/obo/CHEBI_28794 3_STAR
CHEBI:28796 biolink:ChemicalSubstance fructan Polysaccharides composed of fructose residues. CAS:9013-95-0|KEGG:C01355|KEGG:C06215|KEGG:G10499|KEGG:G10535 phenio.json (2,6-beta-D-Fructosyl)n|(2,6-beta-D-Fructosyl)n+1|2,6-beta-D-Fructan|Fructan|Levan|Levan n|beta-D-Fructan|fructan|fructans|polyfructose http://purl.obolibrary.org/obo/CHEBI_28796 3_STAR
CHEBI:28797 biolink:ChemicalSubstance D-alpha-aminobutyric acid An optically active form of alpha-aminobutyric acid having D-configuration. CAS:2623-91-8|DrugBank:DB04454|Gmelin:984641|HMDB:HMDB0000650|KEGG:C02261|LIPID_MAPS_instance:LMFA01100043|MetaCyc:CPD0-1952|PDBeChem:DBB|PMID:23407|PMID:6110424|PMID:6148943|Reaxys:1720934 phenio.json (2R)-2-aminobutanoic acid|(2R)-2-aminobutyric acid|(R)-2-Aminobutanoic acid|(R)-2-aminobutyric acid|D-(-)-2-aminobutyric acid|D-2-Aminobutanoic acid|D-2-Aminobuttersaeure|D-2-Aminobutyrate|D-2-Aminobutyric acid|alpha-aminobutyric acid http://purl.obolibrary.org/obo/CHEBI_28797 3_STAR
CHEBI:28800 biolink:ChemicalSubstance N-acetylgalactosamine CAS:1811-31-0|KEGG:C01074 phenio.json 2-Acetamido-2-deoxygalactose|2-acetamido-2-deoxygalactose|GalNAc|N-Acetylchondrosamine|N-Acetylgalactosamine http://purl.obolibrary.org/obo/CHEBI_28800 3_STAR
CHEBI:28802 biolink:ChemicalSubstance flavonols Any hydroxyflavone in which is the ring hydrogen at position 3 of the heterocyclic ring is replaced by a hydroxy group. MetaCyc:Flavonols|Wikipedia:Flavonol phenio.json 3-hydroxyflavones|a flavonol http://purl.obolibrary.org/obo/CHEBI_28802 3_STAR
CHEBI:28803 biolink:ChemicalSubstance pyridoxine 5'-phosphate Beilstein:233737|CAS:447-05-2|DrugBank:DB02209|KEGG:C00627|KNApSAcK:C00007505|PDBeChem:PXP phenio.json PYRIDOXINE-5'-PHOSPHATE|Pyridoxine 5'-phosphate|Pyridoxine 5-phosphate|Pyridoxine phosphate|Pyridoxol 5'-phosphate|[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate|pyridoxine 5'-(dihydrogen phosphate)|pyridoxol 5-phosphate|pyridoxyl-5-phosphate http://purl.obolibrary.org/obo/CHEBI_28803 3_STAR
CHEBI:28804 biolink:ChemicalSubstance D-2-aminopentanoic acid A 2-aminopentanoic acid that has R-configuration. CAS:2013-12-9|KEGG:C01799|PMID:31071709|PMID:35625327|Patent:CN101007774|Reaxys:1721161 phenio.json (2R)-2-aminopentanoic acid|(R)-norvaline|D-2-Aminopentanoic acid|D-2-Aminovaleric acid|D-Ape|D-Norvaline|D-Nva http://purl.obolibrary.org/obo/CHEBI_28804 3_STAR
CHEBI:28805 biolink:ChemicalSubstance cis-1,2-dichloroethene Beilstein:1071208|CAS:156-59-2|Gmelin:122694|KEGG:C06792|UM-BBD_compID:c0357 phenio.json (Z)-1,2-dichloroethene|(Z)-1,2-dichloroethylene|cis-1,2-Dichloroethene|cis-1,2-dichloroethylene|cis-Acetylene dichloride|cis-dichloroethylene http://purl.obolibrary.org/obo/CHEBI_28805 3_STAR
CHEBI:28806 biolink:ChemicalSubstance 2'-deoxyinosine-5'-monophosphate A deoxyinosine phosphate that is 5'-inosinic acid in which the hydroxy group at position 2' by a hydrogen atom. CAS:3393-18-8|HMDB:HMDB0006555|KEGG:C06196|MetaCyc:DIMP|PDBeChem:DI|PMID:10684927|PMID:20542141|PMID:22817898|PMID:23385455|PMID:98523|Reaxys:583139|Wikipedia:Deoxyinosine_monophosphate phenio.json 2'-Deoxyinosine 5'-monophosphate|2'-Deoxyinosine 5'-monophosphoric acid|2'-Deoxyinosine 5'-phosphate|2'-deoxy-5'-inosinic acid|9-(2-Deoxy-5-O-phosphono-beta-delta-erythro-pentofuranosyl)-9H-purin-6-ol|9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol|Deoxyinosine monophosphate|[(2R,3S,4R,5R)-3-hydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate|dIMP http://purl.obolibrary.org/obo/CHEBI_28806 3_STAR
CHEBI:28807 biolink:ChemicalSubstance dITP A deoxyinosine phosphate compound having a triphosphate group at the 5'-position. Beilstein:7401361|KEGG:C01345 phenio.json 2'-Deoxyinosine 5'-triphosphate|2'-Deoxyinosine-5'-triphosphate|2'-deoxyinosine 5'-(tetrahydrogen triphosphate)|deoxyinosine 5'-triphosphate http://purl.obolibrary.org/obo/CHEBI_28807 3_STAR
CHEBI:28808 biolink:ChemicalSubstance mannan CAS:52002-03-6|KEGG:C00464|KEGG:G10542|Wikipedia:Mannan phenio.json Mannan|Mannoglycan|mannan|mannans http://purl.obolibrary.org/obo/CHEBI_28808 3_STAR
CHEBI:2881 biolink:ChemicalSubstance asperuloside A iridoid monoterpenoid glycoside isolated from Galium verum. CAS:14259-45-1|KEGG:C09769|KNApSAcK:C00003072|PMID:14220867|PMID:14220877|PMID:14915952|PMID:17396882|PMID:4391591|PMID:5815526|Patent:JP2009209088|Reaxys:1302815 phenio.json [(2aS,4aS,5S,7bS)-5-(beta-D-glucopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1H-2,6-dioxacyclopenta[cd]inden-4-yl]methyl acetate http://purl.obolibrary.org/obo/CHEBI_2881 3_STAR
CHEBI:28811 biolink:ChemicalSubstance digalactosylceramide phenio.json http://purl.obolibrary.org/obo/CHEBI_28811 1_STAR
CHEBI:28813 biolink:ChemicalSubstance sinapyl alcohol A primary alcohol, being cinnamyl alcohol hydroxylated at C-4 and methoxylated at C-3 and -5. CAS:537-33-7|KEGG:C02325|PMID:22794913|PMID:23398235|PMID:24667164|Reaxys:3084125 phenio.json 4-(3-hydroxyprop-1-en-1-yl)-2,6-dimethoxyphenol|Sinapic alcohol|Sinapoyl alcohol|Sinapyl alcohol http://purl.obolibrary.org/obo/CHEBI_28813 3_STAR
CHEBI:28814 biolink:ChemicalSubstance piceatannol A stilbenol that is trans-stilbene in which one of the phenyl groups is substituted by hydroxy groups at positions 3 and 4, while the other phenyl group is substituted by hydroxy groups at positions 3 and 5. Beilstein:1879860|CAS:10083-24-6|DrugBank:DB08399|HMDB:HMDB0004215|KEGG:C05901|KNApSAcK:C00002895|LIPID_MAPS_instance:LMPK13090006|PDBeChem:PIT|PMID:10425214|PMID:10641182|PMID:11696049|PMID:12044809|PMID:15134373|PMID:16455243|PMID:17409035|PMID:17698806|PMID:18381677|PMID:19237510|PMID:19258424|PMID:19487074|PMID:19527681|PMID:20584749|PMID:23185430|PMID:23426871|PMID:23713607|PMID:23892029|PMID:24470348|PMID:24551719|PMID:24610083|PMID:24625210|PMID:24919577|PMID:25218158|PMID:25322988|PMID:25815690|PMID:25832644|PMID:25837778|PMID:26036705|PMID:26239705|PMID:26297476|PMID:26351210|PMID:26367737|PMID:28128482|Reaxys:1879860|Wikipedia:Piceatannol phenio.json 3,3',4'5-Tetrahydroxystilbene|3,5,3',4'-tetrahydroxystilbene|3-hydroxyresveratol|4-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol|4-[(E)-2-(3,5-dihydroxyphenyl)vinyl]benzene-1,2-diol|Piceatannol|piceatannol http://purl.obolibrary.org/obo/CHEBI_28814 3_STAR
CHEBI:28815 biolink:ChemicalSubstance heparan sulfate A linear polysaccharide in which the backbone consists of a variably sulfated repeating disaccharide unit. Beilstein:8186767|CAS:9050-30-0|KEGG:C00925|KEGG:D08536|PMID:8713797 phenio.json Heparan N-sulfate|Heparan sulfate|Heparan sulphate|Heparatan sulfate|Heparin monosulfate|Heparin sulfate|Heparitin monosulfate|Heparitin sulfate|N-Acetylheparan sulfate http://purl.obolibrary.org/obo/CHEBI_28815 3_STAR
CHEBI:28817 biolink:ChemicalSubstance dodecane A straight-chain alkane with 12 carbon atoms. It has been isolated from the essential oils of various plants including Zingiber officinale (ginger). CAS:112-40-3|DrugBank:DB02771|Gmelin:201408|HMDB:HMDB0031444|KEGG:C08374|KNApSAcK:C00001248|LIPID_MAPS_instance:LMFA11000004|MetaCyc:CPD-9290|PDBeChem:D12|PMID:24493301|Reaxys:1697175|Wikipedia:Dodecane phenio.json Bihexyl|CH3-[CH2]10-CH3|DODECANE|Dihexyl|Dodecane|Dodekan|dodecane|n-Dodecane http://purl.obolibrary.org/obo/CHEBI_28817 3_STAR
CHEBI:28818 biolink:ChemicalSubstance (24R)-24,25-dihydroxycalciol Beilstein:4567039|CAS:55721-11-4|Drug_Central:2426|KEGG:C07712|KEGG:D00628|LIPID_MAPS_instance:LMST03020273 phenio.json (24R)-24,25-dihydroxycholecalciferol|(24R)-24,25-dihydroxyvitamin D3|(3S,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-3,24,25-triol|24(R),25-Dihydroxyvitamin D3|24R,25(OH)2D3|24R,25-dihydroxycholecalciferol|24R,25-dihydroxyvitamin D3|Secalciferol|secalciferol http://purl.obolibrary.org/obo/CHEBI_28818 3_STAR
CHEBI:28819 biolink:ChemicalSubstance naringin A disaccharide derivative that is (S)-naringenin substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. CAS:10236-47-2|HMDB:HMDB0002927|KEGG:C09789|KNApSAcK:C00000983|LINCS:LSM-2038|MetaCyc:NARINGIN|PMID:21636685|PMID:22847135|PMID:22965302|PMID:22985397|PMID:23111634|Reaxys:102012|Wikipedia:Naringin phenio.json (2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside|Naringenin 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]|Naringenin 7-O-alpha-L-rhamnosyl-(1->2)-beta-D-glucoside|Naringenin 7-O-neohesperidoside|Naringin|Naringoside http://purl.obolibrary.org/obo/CHEBI_28819 3_STAR
CHEBI:28820 biolink:ChemicalSubstance 9-phenanthrol A phenanthrol that is phenanthrene in which a hydrogen attached to a carbon in the central ring has been replaced by a hydroxy group. CAS:484-17-3|HMDB:HMDB0059801|KEGG:C11430|PMID:18297105|PMID:22014185|PMID:22815468|PMID:23831210|PMID:23936231|PMID:24037125|PMID:24433510|PMID:25323322|PMID:25573456|UM-BBD_compID:c0454 phenio.json 9-Hydroxyphenanthrene|9-Phenanthrol|9-phenanthrenol|phenanthren-9-ol http://purl.obolibrary.org/obo/CHEBI_28820 3_STAR
CHEBI:28821 biolink:ChemicalSubstance piperine A N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Piper nigrum. CAS:94-62-2|Gmelin:341351|HMDB:HMDB0029377|KEGG:C03882|KNApSAcK:C00002065|PMID:10575373|PMID:15531295|PMID:18639606|PMID:19110999|PMID:24272201|PMID:25645812|PMID:8347144|Reaxys:90741|Wikipedia:Piperine phenio.json (E,E)-1-piperoylpiperidine|1-Piperoyl-piperidine|1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl]piperidine|1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)-2,4-pentadienoyl]piperidine|1-[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]piperidine|1-piperoylpiperidine|N-[(E,E)-Piperoyl]piperidine|Piperine|piperine http://purl.obolibrary.org/obo/CHEBI_28821 3_STAR
CHEBI:28822 biolink:ChemicalSubstance icosanoic acid A C20 striaght-chain saturated fatty acid which forms a minor constituent of peanut (L. arachis) and corn oils. Used as an organic thin film in the production of liquid crystals for a wide variety of technical applications. CAS:506-30-9|Gmelin:854866|HMDB:HMDB0002212|KEGG:C06425|KNApSAcK:C00001209|LIPID_MAPS_instance:LMFA01010020|MetaCyc:ARACHIDIC_ACID|PDBeChem:DCR|PMID:17279692|PMID:18036601|PMID:19908738|Patent:CN102352348|Patent:WO2013000382|Reaxys:1788211|Wikipedia:Arachidic_acid phenio.json Arachidic acid|Arachinsaeure|C20:0|CH3-[CH2]18-COOH|arachic acid|arachidic acid|arachidinic acid|eicosanoic acid|icosanoic acid|n-eicosanoic acid http://purl.obolibrary.org/obo/CHEBI_28822 3_STAR
CHEBI:28823 biolink:ChemicalSubstance 2'-deoxyinosine-5'-diphosphate A deoxyinosine phosphate compound having a diphosphate group at the 5'-position. Beilstein:7397772|KEGG:C01344 phenio.json 2'-Deoxyinosine 5'-diphosphate|2'-Deoxyinosine-5'-diphosphate|2'-deoxyinosine 5'-(trihydrogen diphosphate)|dIDP http://purl.obolibrary.org/obo/CHEBI_28823 3_STAR
CHEBI:28826 biolink:ChemicalSubstance fluoromethane A member of the class of fluoromethanes that is methane in which a single hydrogen is substituted by a fluorine atom. CAS:593-53-3|Gmelin:391|KEGG:C11147|PMID:16348771|Patent:DE1131197|Reaxys:1730725|UM-BBD_compID:c0354|Wikipedia:Fluoromethane phenio.json CH3F|Fluormethan|Fluoromethane|Freon 41|MeF|Methyl fluoride|Methylfluorid|Monofluormethan|fluoromethane http://purl.obolibrary.org/obo/CHEBI_28826 3_STAR
CHEBI:28827 biolink:ChemicalSubstance sparteine Beilstein:5253541|Beilstein:7744881|Beilstein:82447|CAS:90-39-1|DrugBank:DB06727|Drug_Central:2467|Gmelin:218976|KEGG:C10783|KEGG:D01041|KNApSAcK:C00002236 phenio.json (-)-Sparteine|(7S,7aS,14S,14aR)-dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine|6beta,7alpha,9alpha,11alpha-pachycarpine|Sparteine|[7S-(7alpha,7aalpha,14alpha,14abeta)]-dodecahydro-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocine|l-sparteine|lupinidine|sparteine http://purl.obolibrary.org/obo/CHEBI_28827 3_STAR
CHEBI:28829 biolink:ChemicalSubstance aminophenol A substituted aniline carrying a hydroxy substituent. A 'closed class'. CAS:27598-85-2 phenio.json aminobenzenol|aminophenol|hydroxyaniline http://purl.obolibrary.org/obo/CHEBI_28829 3_STAR
CHEBI:2883 biolink:ChemicalSubstance Aspidin CAS:584-28-1|KEGG:C10672|KNApSAcK:C00002690 phenio.json Aspidin http://purl.obolibrary.org/obo/CHEBI_2883 2_STAR
CHEBI:28830 biolink:ChemicalSubstance chlorambucil A monocarboxylic acid that is butanoic acid substituted at position 4 by a 4-[bis(2-chloroethyl)amino]phenyl group. A chemotherapy drug that can be used in combination with the antibody obinutuzumab for the treatment of chronic lymphocytic leukemia. CAS:305-03-3|DrugBank:DB00291|Drug_Central:588|KEGG:D00266|LINCS:LSM-2645|PDBeChem:CBL|PMID:22025197|PMID:22978684|PMID:23233721|PMID:23295789|PMID:23521128|PMID:23665800|PMID:23667729|PMID:23683018|PMID:23725434|PMID:23822827|PMID:24098639|PMID:24147900|PMID:24223689|Reaxys:999011|Wikipedia:Chlorambucil phenio.json 4-(p-bis(beta-chloroethyl)aminophenyl)butyric acid|4-[p-[bis(2-chloroethyl)amino]phenyl]butyric acid|4-{4-[bis(2-chloroethyl)amino]phenyl}butanoic acid|Ambochlorin|CHLORAMBUCIL|Chlorambucil|Leukeran|N,N-di-2-chloroethyl-gamma-p-aminophenylbutyric acid|chloraminophen|gamma-[p-di(2-chloroethyl)aminophenyl]butyric acid|phenylbutyric acid nitrogen mustard http://purl.obolibrary.org/obo/CHEBI_28830 3_STAR
CHEBI:28831 biolink:ChemicalSubstance propan-1-ol The parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group. CAS:71-23-8|DrugBank:DB03175|Drug_Central:4332|Gmelin:25616|HMDB:HMDB0000820|KEGG:C05979|PDBeChem:POL|PMID:21741120|PMID:22565543|Reaxys:1098242|Wikipedia:Propan-1-ol phenio.json 1-Hydroxypropane|1-Propanol|1-propanol|Ethylcarbinol|N-PROPANOL|Optal|Osmosol extra|Propan-1-ol|Propane-1-ol|Propanol|Propyl alcohol|UN 1274|ethyl carbinol|n-Propanol|n-Propyl alcohol|n-Propylalkohol|n-propan-1-ol|propan-1-ol|propanol-1 http://purl.obolibrary.org/obo/CHEBI_28831 3_STAR
CHEBI:28833 biolink:ChemicalSubstance gibberellin A3 A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi,it differs from gibberellin A1 in the presence of a double bond between C-3 and C-4. AGR:IND44675921|BPDB:371|CAS:77-06-5|DrugBank:DB07814|HMDB:HMDB0003559|KEGG:C01699|KNApSAcK:C00000003|LIPID_MAPS_instance:LMPR0104170002|MetaCyc:GIBBERELLIN|PDBeChem:GA3|PMID:18948165|PMID:19815399|PMID:21216576|PMID:22044348|PMID:22516192|PMID:23076568|PMID:23818834|PMID:23857350|PMID:24232845|Reaxys:54346|Wikipedia:Gibberellic_acid phenio.json (+)-gibberellic acid|(1R,2R,5S,8S,9S,10R,11S,12S)-5,12-dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadec-13-ene-9-carboxylic acid|2beta,7alpha-dihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylic acid|GA3|Gibberellin|Gibberellin A3|Gibberellinsaeure|gibberellic acid|gibberellic acid GA3|gibberellin 3 http://purl.obolibrary.org/obo/CHEBI_28833 3_STAR
CHEBI:28834 biolink:ChemicalSubstance deoxycholic acid A bile acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 12 respectively. Beilstein:3219882|CAS:83-44-3|DrugBank:DB03619|Drug_Central:4988|Gmelin:670078|KEGG:C04483|KNApSAcK:C00030117|LINCS:LSM-5529|LIPID_MAPS_instance:LMST04010040|PDBeChem:DXC phenio.json (3ALPHA,5ALPHA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID|(3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid|3alpha,12alpha-Dihydroxy-5beta-cholanic acid|3alpha,12alpha-dihydroxy-5beta-cholan-24-oic acid|7alpha-deoxycholic acid|Deoxycholic acid|Desoxycholsaeure|desoxycholic acid http://purl.obolibrary.org/obo/CHEBI_28834 3_STAR
CHEBI:28837 biolink:ChemicalSubstance octanoic acid A straight-chain saturated fatty acid that is heptane in which one of the hydrogens of a terminal methyl group has been replaced by a carboxy group. Octanoic acid is also known as caprylic acid. CAS:124-07-2|DrugBank:DB04519|Drug_Central:3998|Gmelin:142966|HMDB:HMDB0000482|KEGG:C06423|KEGG:D05220|KNApSAcK:C00001231|LIPID_MAPS_instance:LMFA01010008|MetaCyc:CPD-195|PDBeChem:OCA|PMID:16162522|PMID:16872526|PMID:19096058|Reaxys:1747180|Wikipedia:Caprylic_acid phenio.json 1-heptanecarboxylic acid|8:0|Acide octanoique|Acido octanoico|Acidum octanocium|C8:0|CH3-[CH2]6-COOH|Caprylic acid|Kaprylsaeure|OCTANOIC ACID (CAPRYLIC ACID)|Octanoic acid|Octansaeure|Octylic acid|acide octanoique|acido octanoico|acidum octanoicum|n-caprylic acid|n-octanoic acid|n-octoic acid|n-octylic acid|octanoic acid|octoic acid http://purl.obolibrary.org/obo/CHEBI_28837 3_STAR
CHEBI:28838 biolink:ChemicalSubstance lutein CAS:127-40-2|DrugBank:DB00137|Drug_Central:4145|HMDB:HMDB0003233|KEGG:C08601|KNApSAcK:C00003776|LIPID_MAPS_instance:LMPR01070274|MetaCyc:CPD1F-119|PDBeChem:LUT|PMID:10714278|PMID:14670087|PMID:23543147|PMID:24451312|Reaxys:2068550|Wikipedia:Lutein phenio.json (3R,3'R,6'R)-beta,epsilon-carotene-3,3'-diol|(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL|Bo-Xan|E 161b|Lutein|Xanthophyll|lutein http://purl.obolibrary.org/obo/CHEBI_28838 3_STAR
CHEBI:28839 biolink:ChemicalSubstance 3-disulfanyl-L-alanine An S-substituted L-cysteine where the S-substituent is specified as sulfanyl. CAS:5652-32-4|DrugBank:DB02761|KEGG:C01962|PDBeChem:CSS|PMID:10753862|PMID:10760256|PMID:12382038|PMID:12386155|PMID:12686149|PMID:14644425|PMID:16855700|PMID:9099686|PMID:9867829|RESID:AA0269|Reaxys:6381723 phenio.json (R)-2-amino-3-disulfanylpropanoic acid|2-amino-3-disulfanylpropanoic acid|2-amino-3-hydrodisulfidopropanoic acid|2-amino-3-hydropersulfidopropanoic acid|2-amino-3-persulfhydrylpropanoic acid|3-(thiosulfeno)-alanine|3-disulfanyl-L-alanine|S-sulfanylcysteine|Thiocysteine|cysteine persulfide|cysteine perthiol|thiocysteine http://purl.obolibrary.org/obo/CHEBI_28839 3_STAR
CHEBI:28842 biolink:ChemicalSubstance octadecanoic acid A C18 straight-chain saturated fatty acid component of many animal and vegetable lipids. As well as in the diet, it is used in hardening soaps, softening plastics and in making cosmetics, candles and plastics. CAS:57-11-4|DrugBank:DB03193|Drug_Central:4611|Gmelin:11738|HMDB:HMDB0000827|KEGG:C01530|KEGG:D00119|KNApSAcK:C00001238|LIPID_MAPS_instance:LMFA01010018|MetaCyc:STEARIC_ACID|PDBeChem:STE|PMID:11425337|PMID:16448636|PMID:17439666|PMID:18982377|PMID:19468063|PMID:19838949|PMID:22735334|PMID:26884207|PMID:7763343|Reaxys:608585|Wikipedia:Stearic_acid phenio.json 18:0|C18:0|CH3-[CH2]16-COOH|Octadecanoic acid|Octadecansaeure|Oktadekansaeure|STEARIC ACID|Stearinsaeure|acide octadecanoique|acide stearique|n-octadecanoic acid|octadecanoic acid|octadecoic acid|stearic acid http://purl.obolibrary.org/obo/CHEBI_28842 3_STAR
CHEBI:28846 biolink:ChemicalSubstance dCDP A 2'-deoxycytidine phosphate that is the 2'- deoxy derivative of cytidine 5'-diphosphate (CDP). CAS:800-73-7|HMDB:HMDB0001245|KEGG:C00705|MetaCyc:DCDP|PDBeChem:YYY|PMID:22212996|PMID:22817898|PMID:2990252|Reaxys:60648|Wikipedia:Deoxycytidine_diphosphate phenio.json 2'-Deoxycytidine 5'-diphosphate|2'-Deoxycytidine diphosphate|2'-deoxycytidine 5'-(trihydrogen diphosphate)|D-1beta-Ribofuranosylcytosine diphosphate|dCDP|deoxycytidine diphosphate http://purl.obolibrary.org/obo/CHEBI_28846 3_STAR
CHEBI:28847 biolink:ChemicalSubstance D-fucose phenio.json 6-deoxy-D-galactose|D-Fuc|D-fucose http://purl.obolibrary.org/obo/CHEBI_28847 3_STAR
CHEBI:28849 biolink:ChemicalSubstance naphthazarin A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups. CAS:475-38-7|KEGG:C01938|KNApSAcK:C00002846|PMID:11667447|PMID:15644912|PMID:16019186|PMID:17432383|PMID:18309277|PMID:21667044|PMID:21765926|PMID:21904775|PMID:22513651|PMID:23537652|PMID:2435285|PMID:24587235|Reaxys:880561|Wikipedia:5,8-Dihydroxy-1,4-naphthoquinone phenio.json 5,8-dihydroxy-1,4-naphthalenedione|5,8-dihydroxy-1,4-naphthoquinone|5,8-dihydroxy-1,4-naphthosemiquinone|5,8-dihydroxynaphthoquinone|naphthazarine|naphthazarone http://purl.obolibrary.org/obo/CHEBI_28849 3_STAR
CHEBI:28850 biolink:ChemicalSubstance dUDP CAS:4208-67-7|KEGG:C01346|PDBeChem:DUD phenio.json 2'-Deoxyuridine 5'-diphosphate|2'-deoxyuridine 5'-(trihydrogen diphosphate)|dUDP http://purl.obolibrary.org/obo/CHEBI_28850 3_STAR
CHEBI:28851 biolink:ChemicalSubstance phenanthrene A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.' CAS:85-01-8|DrugBank:DB08381|Gmelin:28699|KEGG:C11422|MetaCyc:CPD-13485|PDBeChem:PEY|PMID:11472527|PMID:24216621|PMID:24722053|Reaxys:1905428|UM-BBD_compID:c0431|Wikipedia:Phenanthrene phenio.json PHENANTHRENE|Phenanthracene|Phenanthren|Phenanthrene|phenanthrene http://purl.obolibrary.org/obo/CHEBI_28851 3_STAR
CHEBI:28852 biolink:ChemicalSubstance prostaglandin F1alpha CAS:745-62-0|KEGG:C06475|LIPID_MAPS_instance:LMFA03010137 phenio.json (13E,15S)-9alpha,11alpha,15-trihydroxyprost-13-en-1-oic acid|(13E,15S)-9alpha,11alpha-9,11,15-Trihydroxyprost-13-en-1-oic acid|PGF 1-alpha|Prostaglandin F1|Prostaglandin F1alpha|Prostaglandin f1-alpha http://purl.obolibrary.org/obo/CHEBI_28852 3_STAR
CHEBI:28854 biolink:ChemicalSubstance 2,4-D A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines. CAS:94-75-7|Gmelin:51306|HMDB:HMDB0041797|KEGG:C03664|LINCS:LSM-19988|MetaCyc:CPD-9009|PDBeChem:CFA|PMID:10794133|PMID:11165716|PMID:11423340|PMID:11566291|PMID:12231832|PMID:15198722|PMID:16785163|PMID:17568655|PMID:18969687|PMID:6362003|PPDB:4|Pesticides:2,4-d|Reaxys:1214242|Wikipedia:2,4-Dichlorophenoxyacetic_acid phenio.json (2,4-Dichlorphenoxy)essigsaeure|(2,4-dichlorophenoxy)acetic acid|2,4-D|2,4-D acid|2,4-Dichlorophenoxyacetate|2,4-Dichlorophenoxyacetic acid|2,4-Dichlorphenoxyessigsaeure|Hedonal|Trinoxol|acide 2,4-dichloro phenoxyacetique http://purl.obolibrary.org/obo/CHEBI_28854 3_STAR
CHEBI:28855 biolink:ChemicalSubstance enterobactin A macrotriolide produced by certain members of Enterobacteriaceae, e.g. Escherichia coli and Salmonella. Beilstein:1420020|CAS:28384-96-5|Gmelin:781435|KEGG:C05821|KNApSAcK:C00000735|PDBeChem:EB4 phenio.json (3S-(3R*,7R*,11R*))-N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxybenzamide)|Enterobactin|Enterochelin|H6ent|N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide)|Tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester|Tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester http://purl.obolibrary.org/obo/CHEBI_28855 3_STAR
CHEBI:28856 biolink:ChemicalSubstance p-toluate A toluate that is the conjugate base of p-toluic acid, obtained by deprotonation of the carboxy group. KEGG:C01454|Reaxys:3904552|UM-BBD_compID:c0202 phenio.json 4-methylbenzoate|4-toluenecarboxylate|Toluate|p-Toluate http://purl.obolibrary.org/obo/CHEBI_28856 3_STAR
CHEBI:28857 biolink:ChemicalSubstance (Z)-hex-3-en-1-ol A hex-3-en-1-ol in which the double bond adopts a Z-configuration. Also known as leaf alcohol, it is emitted by green plants upon mechanical damage. Used as a flavourant in tea. AGR:IND43625196|AGR:IND44295090|AGR:IND600863761|AGR:IND605495882|AGR:IND82080126|CAS:928-96-1|FooDB:FDB008091|HMDB:HMDB0030003|KEGG:C08492|KNApSAcK:C00000356|LIPID_MAPS_instance:LMFA05000059|MetaCyc:CIS-3-HEXENOL|PMID:16132223|PMID:21628908|PMID:22714804|PMID:23001219|PMID:23678819|PMID:23749439|PMID:23923622|PMID:24301200|PMID:27717473|PMID:5351709|Reaxys:1719712|Wikipedia:Cis-3-Hexen-1-ol phenio.json (3Z)-3-Hexen-1-ol|(3Z)-hex-3-en-1-ol|(Z)-3-hexen-1-ol|3-Hexen-1-ol, (Z)-|Blatteralkohol|Leaf alcohol|cis-3-Hexen-1-ol http://purl.obolibrary.org/obo/CHEBI_28857 3_STAR
CHEBI:28858 biolink:ChemicalSubstance 1D-myo-inositol 3,4-bisphosphate KEGG:C04063 phenio.json 1D-myo-Inositol 3,4-bisphosphate|1L-myo-inositol 1,6-bis(dihydrogen phosphate)|D-myo-Inositol 3,4-bisphosphate|Inositol 3,4-bisphosphate http://purl.obolibrary.org/obo/CHEBI_28858 3_STAR
CHEBI:28859 biolink:ChemicalSubstance 5alpha-androstane The 5alpha-stereoisomer of androstane. Beilstein:2043119|CAS:438-22-2|KEGG:C01554|LIPID_MAPS_instance:LMST02020056|PMID:13749674 phenio.json 5alpha-Androstane|5alpha-androstane|Androstane http://purl.obolibrary.org/obo/CHEBI_28859 3_STAR
CHEBI:28860 biolink:ChemicalSubstance beta-D-glucuronic acid A D-glucopyranuronic acid in which the anomeric centre has beta-configuration. Gmelin:2497864|KEGG:C08350|KNApSAcK:C00001123|MetaCyc:CPD-12521|PDBeChem:BDP|PMID:19443021|PMID:22770225|PMID:25568069|PMID:31537530|PMID:35774810|Reaxys:1427744|Wikipedia:Glucuronic_acid phenio.json (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid|GlcAb|GlcAbeta|beta-D-GlcpA|beta-D-Glucopyranuronic acid|beta-D-Glucuronic acid|beta-D-glucopyranuronic acid http://purl.obolibrary.org/obo/CHEBI_28860 3_STAR
CHEBI:28862 biolink:ChemicalSubstance dGDP A purine 2'-deoxyribonucleoside 5'-diphosphate having guanine as the nucleobase. DrugBank:DB03491|ECMDB:ECMDB00960|HMDB:HMDB0000960|KEGG:C00361|KNApSAcK:C00019355|MetaCyc:DGDP|PDBeChem:DGI|PMID:16240436|PMID:22761426|Reaxys:68703|Wikipedia:Deoxyguanosine_diphosphate|YMDB:YMDB00898 phenio.json 2'-Deoxyguanosine 5'-diphosphate|2'-deoxyguanosine 5'-(trihydrogen diphosphate)|2'-deoxyguanosine 5'-diphosphate|dGDP|deoxyguanosine diphosphate http://purl.obolibrary.org/obo/CHEBI_28862 3_STAR
CHEBI:28863 biolink:ChemicalSubstance flavanones Members of the class of flavans with a 3,4-dihydro-2-aryl-2H-1-benzopyran-4-one skeleton and its substituted derivatives. MetaCyc:FLAVANONES|Wikipedia:Flavanone phenio.json 2,3-dihydroflavones|a flavanone http://purl.obolibrary.org/obo/CHEBI_28863 3_STAR
CHEBI:28864 biolink:ChemicalSubstance tobramycin A amino cyclitol glycoside that is kanamycin B lacking the 3-hydroxy substituent from the 2,6-diaminoglucose ring. CAS:32986-56-4|DrugBank:DB00684|Drug_Central:2684|KEGG:C00397|KEGG:D00063|LINCS:LSM-6534|PDBeChem:TOY|PMID:11000679|PMID:11072877|PMID:11459219|PMID:11478352|PMID:14961139|PMID:15813341|PMID:16205136|PMID:16239129|PMID:16478137|PMID:16650821|PMID:17150225|PMID:18331849|PMID:19072156|PMID:19220547|PMID:19340717|PMID:19465435|PMID:20000576|PMID:20884302|PMID:20938669|PMID:21275493|PMID:21343445|PMID:21357290|PMID:21396748|PMID:21414310|PMID:21429824|PMID:21438171|PMID:21530479|PMID:21592592|PMID:21726492|PMID:21756818|PMID:21796931|PMID:21815282|Reaxys:1357507|Wikipedia:Tobramycin phenio.json (1S,2S,3R,4S,6R)-4,6-diamino-3-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribo-hexopyranosyloxy)-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside|3'-Deoxykanamycin B|Nebramycin 6|Nebramycin factir 6|O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,6-trideoxy-alpha-D-ribohexopyranosyl-(1-4))-2-deoxy-D-streptamine|Tobracin (TN)|Tobramycin|Tobrex (TN) http://purl.obolibrary.org/obo/CHEBI_28864 3_STAR
CHEBI:28865 biolink:ChemicalSubstance taurocholic acid A bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals. CAS:81-24-3|DrugBank:DB04348|HMDB:HMDB0000036|KEGG:C05122|LINCS:LSM-5866|LIPID_MAPS_instance:LMST05040001|PDBeChem:TCH|PMID:11160372|PMID:24412572|PMID:24551170|PMID:35199809|PMID:38270203|PMID:38552699|PMID:38666497|Reaxys:2956951|Wikipedia:Taurocholic_acid phenio.json 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid|3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid 24-taurine|Choloyl-taurine|Cholyltaurine|N-choloyltaurine|Taurocholate|Taurocholic acid|cholic acid taurine conjugate http://purl.obolibrary.org/obo/CHEBI_28865 3_STAR
CHEBI:28866 biolink:ChemicalSubstance tetracosanoic acid A C24 straight-chain saturated fatty acid. CAS:557-59-5|Gmelin:107095|HMDB:HMDB0002003|KEGG:C08320|KNApSAcK:C00001223|LIPID_MAPS_instance:LMFA01010024|MetaCyc:TETRACOSANOATE|PMID:21781003|PMID:23019902|PMID:23157011|PMID:23394615|PMID:23871298|PMID:24491713|PMID:3174658|Reaxys:1728237|Wikipedia:Lignoceric_acid phenio.json CH3-[CH2]22-COOH|Lignoceric acid|Lignozerinsaeure|Tetracosanoic acid|Tetracosansaeure|n-tetracosanoic acid|tetracosanic acid|tetracosanoic acid|tetracosoic acid|tetraeicosanoic acid|tetraicosanoic acid http://purl.obolibrary.org/obo/CHEBI_28866 3_STAR
CHEBI:28867 biolink:ChemicalSubstance O-propanoylcarnitine An O-acylcarnitine compound having propanoyl as the acyl substituent. HMDB:HMDB0000824|KEGG:C03017|PMID:22770225|Reaxys:4137829 phenio.json 3-(propionyloxy)-4-(trimethylammonio)butanoate|3-Carboxy-N,N,N-trimethyl-2-(1-oxopropoxy)-1-propanaminium inner salt|O-Propanoylcarnitine|O-Propionylcarnitine|Propionyl carnitine|Propionylcarnitine http://purl.obolibrary.org/obo/CHEBI_28867 3_STAR
CHEBI:28868 biolink:ChemicalSubstance fatty acid anion The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid. KEGG:C02403|PMID:18628202 phenio.json Alkanate|Fatty acid anion|Fettsaeureanion|Fettsaeureanionen|a fatty acid|acido graso anionico|acidos grasos anionicos|anion de l'acide gras|fatty acid anions http://purl.obolibrary.org/obo/CHEBI_28868 3_STAR
CHEBI:28869 biolink:ChemicalSubstance menadione A member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia. CAS:58-27-5|Chemspider:3915|DrugBank:DB00170|Drug_Central:1683|FooDB:FDB000953|HMDB:HMDB0001892|KEGG:C05377|KEGG:D02335|LINCS:LSM-3755|MetaCyc:CPD-3766|PDBeChem:VK3|PMID:10433694|PMID:11372776|PMID:12665684|PMID:12895502|PMID:13779073|PMID:15052609|PMID:15265851|PMID:15613473|PMID:15722567|PMID:16109308|PMID:16140270|PMID:16469140|PMID:1650428|PMID:1697141|PMID:1857739|PMID:18698499|PMID:19593550|PMID:19766112|PMID:2064595|PMID:2333843|PMID:28166217|PMID:30119016|PMID:30609653|PMID:3083821|PMID:31238027|PMID:31520616|PMID:31701430|PMID:32630491|PMID:32798378|PMID:33227312|PMID:33800926|PMID:33901557|PMID:33945810|PMID:34040527|PMID:8785182|PMID:9010592|PMID:9380028|Reaxys:1908453|Wikipedia:Menadione phenio.json 2-Methyl-1,4-naphthochinon|2-methyl-1,4-naphthalenedione|2-methyl-1,4-naphthoquinone|2-methylnaphthalene-1,4-dione|2-methylnaphthoquinone|3-methyl-1,4-naphthoquinone|Aquakay|Aquinone|Hemodal|Kappaxin|MENADIONE|Menadione|menadion|menadione|menaphthon|menaphthone|menaquinone|menaquinone 0|vitamin K3 http://purl.obolibrary.org/obo/CHEBI_28869 3_STAR
CHEBI:28874 biolink:ChemicalSubstance phosphatidylinositol Any glycerophosphoinositol having one phosphatidyl group esterified to one of the hydroxy groups of inositol. DrugBank:DB02144|PMID:15634688|PMID:15967713|PMID:17417879|PMID:18189424|PMID:19456874|PMID:23015060|PMID:23118092|Wikipedia:Phosphatidylinositol phenio.json PI|PtdIns|phosphatidylinositols http://purl.obolibrary.org/obo/CHEBI_28874 3_STAR
CHEBI:28875 biolink:ChemicalSubstance tetradecanoic acid A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat. CAS:544-63-8|DrugBank:DB08231|Gmelin:242115|HMDB:HMDB0000806|KEGG:C06424|KNApSAcK:C00001228|LIPID_MAPS_instance:LMFA01010014|MetaCyc:CPD-7836|PDBeChem:MYR|PMID:13129458|PMID:15149689|PMID:16509590|PMID:16554156|PMID:19154695|PMID:19761868|PMID:19786012|PMID:19902021|PMID:19955401|PMID:20634506|PMID:20920594|PMID:21955528|PMID:22030224|PMID:27206979|PMID:28600633|PMID:6802973|Reaxys:508624|Wikipedia:Myristic_acid phenio.json 1-tetradecanecarboxylic acid|14|14:0|14:00|C14|CH3-[CH2]12-COOH|MYRISTIC ACID|Myristic acid|Myristinsaeure|Tetradecanoic acid|acide tetradecanoique|myristic acid|n-Tetradecan-1-oic acid|n-Tetradecoic acid|n-tetradecanoic acid|tetradecoic acid http://purl.obolibrary.org/obo/CHEBI_28875 3_STAR
CHEBI:28876 biolink:ChemicalSubstance melphalan A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring. CAS:148-82-3|DrugBank:DB01042|Drug_Central:1678|KEGG:D00369|PMID:10820424|PMID:10937717|PMID:11680815|PMID:11914777|PMID:18481314|PMID:445303|PMID:7494795|PMID:7605343|PMID:8552138|PMID:8951232|PMID:9218926|PMID:9250538|Patent:US108552|Patent:US275057|Patent:US3032584|Patent:US3032585|Reaxys:2816456|Wikipedia:Melphalan phenio.json 3-(p-(Bis(2-chloroethyl)amino)phenyl)-L-alanine|3-p-(Di(2-chloroethyl)amino)-phenyl-L-alanine|4-(Bis(2-chloroethyl)amino)-L-phenylalanine|4-[bis(2-chloroethyl)amino]-L-phenylalanine|L-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine|L-PAM|L-Phenylalanine mustard|L-Sarcolysine|Phenylalanine mustard|Phenylalanine nitrogen mustard|melfalano|melphalan|melphalanum|p-Bis(beta-chloroethyl)aminophenylalanine|p-Di-(2-chloroethyl)amino-L-phenylalanine|p-L-Sarcolysin|p-N,N-bis(2-chloroethyl)amino-L-phenylalanine|p-N-Bis(2-chloroethyl)amino-L-phenylalanine http://purl.obolibrary.org/obo/CHEBI_28876 3_STAR
CHEBI:28878 biolink:ChemicalSubstance dodecan-1-ol A primary alcohol that is dodecane in which a hydrogen from one of the methyl groups is replaced by a hydroxy group. It is registered for use in apple and pear orchards as a Lepidopteran pheromone/sex attractant, used to disrupt the mating behaviour of certain moths whose larvae destroy crops. BPDB:1379|CAS:112-53-8|DrugBank:DB06894|HMDB:HMDB0011626|KEGG:C02277|KNApSAcK:C00030152|LIPID_MAPS_instance:LMFA05000001|MetaCyc:CPD-7867|PDBeChem:1DO|PMID:15867966|PMID:21485271|PMID:22575842|PMID:23540203|PMID:29180361|PMID:30511874|PMID:31942998|PMID:32418321|PMID:33123751|PMID:33185090|PMID:33260827|PMID:34778795|PMID:7812439|PPDB:1379|Reaxys:1738860|UM-BBD_compID:c0564|Wikipedia:Dodecanol phenio.json 1-dodecanol|1-dodecyl alcohol|1-hydroxydodecane|dodecan-1-ol|dodecanol|dodecyl alcohol|dodecylalcohol|lauric alcohol|laurinic alcohol|lauroyl alcohol|lauryl alcohol|n-dodecan-1-ol|n-dodecanol|n-dodecyl alcohol|n-lauryl alcohol|undecyl carbinol http://purl.obolibrary.org/obo/CHEBI_28878 3_STAR
CHEBI:28879 biolink:ChemicalSubstance 9-O-acetylneuraminic acid The acetate ester of the primary hydroxy group of neuraminic acid. KEGG:C03525 phenio.json 9-O-acetyl-5-amino-3,5-dideoxy-D-glycero-D-galacto-non-2-ulopyranosonic acid|O-Acetylated sialic acid|O-Acetylneuraminic acid http://purl.obolibrary.org/obo/CHEBI_28879 3_STAR
CHEBI:28880 biolink:ChemicalSubstance (S)-mevalonic acid The (S)-enantiomer of mevalonic acid. CAS:32451-23-3|KEGG:C02104|KNApSAcK:C00001195|PMID:11841343|PMID:15853752|Reaxys:1722594 phenio.json (+)-mevalonic acid|(3S)-3,5-dihydroxy-3-methylpentanoic acid|(3S)-3,5-dihydroxy-3-methylvaleric acid|(3S)-mevalonic acid|(S)-(+)-mevalonic acid|(S)-3,5-dihydroxy-3-methyl-valeric acid|(S)-3,5-dihydroxy-3-methylvaleric acid|L-mevalonic acid|S-MVA http://purl.obolibrary.org/obo/CHEBI_28880 3_STAR
CHEBI:28881 biolink:ChemicalSubstance 2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranose KEGG:C02713 phenio.json 2-acetamido-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucopyranose|N-Acetylmuramate|N-acetyl-D-muramate http://purl.obolibrary.org/obo/CHEBI_28881 3_STAR
CHEBI:28884 biolink:ChemicalSubstance N-phenylacetamide A member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen is substituted by a phenyl group. CAS:103-84-4|Drug_Central:54|Gmelin:82833|KEGG:C07565|PMID:23862058|Reaxys:606468|UM-BBD_compID:c0657|Wikipedia:N-Phenylacetamide phenio.json Acetanilid|Acetanilide|N-Acetylarylamine|N-Phenylacetamide|N-acetylaminobenzene|N-phenylacetamide|acetamidobenzene|acetanil|acetic acid anilide http://purl.obolibrary.org/obo/CHEBI_28884 3_STAR
CHEBI:28885 biolink:ChemicalSubstance butan-1-ol A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. CAS:71-36-3|DrugBank:DB02145|Gmelin:25753|HMDB:HMDB0004327|KEGG:C06142|KEGG:D03200|MetaCyc:BUTANOL|PDBeChem:1BO|PMID:23980702|PMID:7096503|PPDB:1309|Reaxys:969148|Wikipedia:N-Butanol phenio.json 1-BUTANOL|1-Butanol|1-butyl alcohol|1-hydroxybutane|BuOH|butan-1-ol|n-Butanol|n-Butylalkohol|n-butan-1-ol|n-butyl alcohol|propyl carbinol http://purl.obolibrary.org/obo/CHEBI_28885 3_STAR
CHEBI:28887 biolink:ChemicalSubstance dimethyl ether An ether in which the oxygen atom is connected to two methyl groups. CAS:115-10-6|KEGG:C11144|PMID:16348771|Reaxys:1730743|UM-BBD_compID:c0147|Wikipedia:Dimethyl_ether phenio.json (CH3)2O|CH3-O-CH3|DME|Dimethyl ether|Methoxymethane|dimethyl oxide|methoxymethane|methyl ether|oxybismethane http://purl.obolibrary.org/obo/CHEBI_28887 3_STAR
CHEBI:28890 biolink:ChemicalSubstance coenzyme B CAS:104302-77-4|KEGG:C04628|KNApSAcK:C00000760|PDBeChem:TP7 phenio.json (2S,3R)-2-[(7-mercaptoheptanoyl)amino]-3-(phosphonooxy)butanoic acid|(2S,3R)-3-phosphonooxy-2-[(7-sulfanylheptanoyl)amino]butanoic acid|7-mercaptoheptanoyl-O-phospho-L-threonine|7-mercaptoheptanoylthreonine phosphate|7-thioheptanoyl-threonine O-phosphate|Coenzyme B|HTP|MHTP|N-(7-Mercaptoheptanoyl)threonine 3-O-phosphate|N-(7-Mercaptoheptanoyl)threonine O3-phosphate|N-(7-mercaptoheptanoyl)-L-threonine 3-O-phosphate|N-(7-sulfanylheptanoyl)-3-O-phosphono-L-threonine|N-(7-sulfanylheptanoyl)-3-phospho-L-threonine|N-(7-sulfanylheptanoyl)-L-threonine 3-(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_28890 3_STAR
CHEBI:28891 biolink:ChemicalSubstance oxanthrene Beilstein:143227|CAS:262-12-4|Gmelin:280302|KEGG:C07732|UM-BBD_compID:c0426 phenio.json Dibenzo-p-dioxin|dibenzo-p-dioxin|dibenzo[1,4]dioxin|dibenzo[1,4]dioxine|dibenzo[b,e][1,4]dioxin|dibenzo[b,e][1,4]dioxine|dibenzodioxin|diphenylene dioxide|oxanthrene|phenodioxin http://purl.obolibrary.org/obo/CHEBI_28891 3_STAR
CHEBI:28892 biolink:ChemicalSubstance ganglioside A molecule composed of a glycosphingolipid (ceramide and oligosaccharide) with one or more sialic acids linked on the sugar chain. MetaCyc:Gangliosides|PMID:16158191|PMID:2088646|PMID:38623278|PMID:38848944|PMID:38887845|PMID:39092231|Wikipedia:Ganglioside phenio.json ganglioside|gangliosides|sialoglycosphingolipid|sialoglycosphingolipids http://purl.obolibrary.org/obo/CHEBI_28892 3_STAR
CHEBI:28894 biolink:ChemicalSubstance 1-O-alkyl-2-O-arachidonoyl-sn-glycero-3-phosphocholine A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine where the 2-O-acyl component is specifed as arachidonoyl. KEGG:C05208 phenio.json 1-Alkyl-2-arachidonyl-sn-glycero-3-phosphocholine|1-Organyl-2-arachidonyl-sn-glycero-3-phosphocholine|1-alkyl-2-(5Z,8Z,11Z,14Z)-icosatetraenoyl-sn-glycero-3-phosphocholine|1-alkyl-2-(5Z,8Z,11Z,14Z)-icosatetraenoyl-sn-phosphatidylcholine|1-alkyl-2-arachidonoyl-sn-phosphatidylcholine|1-alkyl-2-arachidonyl-sn-glycero-3-phosphocholines|a 1-alkyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphocholine http://purl.obolibrary.org/obo/CHEBI_28894 3_STAR
CHEBI:28895 biolink:ChemicalSubstance 3'-UMP A pyrimidine ribonucleoside 3'-monophosphate having uracil as the nucleobase. CAS:84-53-7|Chemspider:91753|DrugBank:DB02714|HMDB:HMDB0060282|KEGG:C01368|PDBeChem:U3P|PMID:10964705|PMID:12833549|PMID:14573867|PMID:26655472|PMID:31777937|PMID:33564093|PMID:9860854 phenio.json 3'-UMP|3'-uridinemonophosphate|3'-uridylic acid|uridine 3'-(dihydrogen phosphate)|uridine 3'-monophosphate|uridine 3'-phosphate http://purl.obolibrary.org/obo/CHEBI_28895 3_STAR
CHEBI:28897 biolink:ChemicalSubstance pentadecane A straight-chain alkane with 15 carbon atoms. It is a component of volatile oils isolated from plants species like Scandix balansae. CAS:629-62-9|DrugBank:DB03715|HMDB:HMDB0059886|KEGG:C08388|KNApSAcK:C00001265|LIPID_MAPS_instance:LMFA11000006|MetaCyc:CPD-7946|PDBeChem:MYS|PMID:14598162|PMID:15330541|PMID:23847066|PMID:23973758|Reaxys:1698194|Wikipedia:Pentadecane phenio.json CH3-[CH2]13-CH3|PENTADECANE|Pentadecane|Pentadekan|n-Pentadecane|pentadecane http://purl.obolibrary.org/obo/CHEBI_28897 3_STAR
CHEBI:28898 biolink:ChemicalSubstance P(1),P(5)-bis(5'-adenosyl) pentaphosphate A diadenosyl pentaphosphate having the two 5'-adenosyl residues attached at the P(1)- and P(5)-positions. Beilstein:604343|CAS:50304-44-4|KEGG:C04058|PDBeChem:AP5 phenio.json Bis(5'-adenosyl) pentaphosphate|P(1),P(5)-Di(adenosine-5'-)pentaphosphate|P1,P5-Bis(5'-adenosyl) pentaphosphate|adenosine(5')pentaphospho(5')adenosine http://purl.obolibrary.org/obo/CHEBI_28898 3_STAR
CHEBI:28900 biolink:ChemicalSubstance N-alkylphthalic monoamide A dicarboxylic acid monoamide resulting from formal condensation between one of the carboxy groups of phthalic acid with any primary alkylamine. KEGG:C06374 phenio.json N-alkylphthalic monoamides|Phthalyl (N substituted) amide|Phthalylamide http://purl.obolibrary.org/obo/CHEBI_28900 3_STAR
CHEBI:28901 biolink:ChemicalSubstance busulfan A methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. An alkylating antineoplastic agent, it is used for the treatment of chronic myeloid leukemia (although it has been largely replaced by newer drugs). It is also used as an insect sterilant. CAS:55-98-1|DrugBank:DB01008|Drug_Central:438|KEGG:C06862|KEGG:D00248|LINCS:LSM-5388|PMID:10523796|PMID:19361744|PMID:19611402|Patent:US2917432|Reaxys:1791786|Wikipedia:Busulfan phenio.json 1,4-Bis(methanesulfonoxy)butane|1,4-Butanediol dimethanesulfonate|1,4-Dimesyloxybutane|1,4-Dimethanesulfonoxybutane|Bisulfex|Busulfan|Leucosulfan|Mablin|Mielucin|Misulban|Mitostan|Myeloleukon|Myleran|Tetramethylene bis(methanesulfonate)|busulfan|busulfano|busulfanum|butane-1,4-diyl dimethanesulfonate http://purl.obolibrary.org/obo/CHEBI_28901 3_STAR
CHEBI:28902 biolink:ChemicalSubstance N-phenylhydroxylamine An N-substituted amine that is a derivative of aniline in which one of the amino hydrogen atoms is replaced with a hydroxy substituent. Beilstein:507174|CAS:100-65-2|Gmelin:101500|KEGG:C02720|KEGG:C16685|PMID:11304127|PMID:23766821|Reaxys:507174|UM-BBD_compID:c0315 phenio.json (Hydroxyamino)benzene|Hydroxylaminobenzene|N-hydroxyaniline|N-hydroxybenzenamine|N-hydroxylaniline|N-phenylhydroxylamine|phenylhydroxylamine http://purl.obolibrary.org/obo/CHEBI_28902 3_STAR
CHEBI:28907 biolink:ChemicalSubstance 2,3-bisphosphoglyceric acid A bisphosphoglyceric acid that is glyceric acid carrying two phospho substituents at positions 2 and 3. CAS:138-81-8|KEGG:C03339|PDBeChem:DG2|PMID:2111310|Reaxys:1729439 phenio.json 2,3-bis(phosphonooxy)propanoic acid http://purl.obolibrary.org/obo/CHEBI_28907 3_STAR
CHEBI:28909 biolink:ChemicalSubstance iprodione An imidazolidine-2,4-dione in which the nitrogen at position 1 is substituted by an N-(isopropyl)carboxamide group while that at position 3 is substituted by a 3,5-dichlorophenyl group. A contact fungicide, it blocks the growth of the fungal mycelium and inhibits the germination of fungal spores. It is used on fruit and vegetable crops affected by various fungal diseases. It is also used as a nematicide. CAS:36734-19-7|HMDB:HMDB0031795|KEGG:C11208|PMID:11451425|PMID:22115616|PMID:22262495|PPDB:403|Patent:CN103053579|Patent:CN103392726|Patent:DE2149923|Patent:US3755350|Pesticides:iprodione|Reaxys:895003|UM-BBD_compID:c0635|Wikipedia:Iprodione phenio.json 3-(3,5-dichlorophenyl)-1-(1-methylethyl)carbamoylhydantoin|3-(3,5-dichlorophenyl)-2,4-dioxo-N-(propan-2-yl)-imidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide|3-(3,5-dichlorophenyl)-N-(1-methylethyl)-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)-N-isopropyl-2,4-dioxoimidazolidine-1-carboxamide|3-(3,5-dichlorophenyl)hydantoin-1-carboxylic acid isopropylamide|Iprodione|Rovral|Rovrol http://purl.obolibrary.org/obo/CHEBI_28909 3_STAR
CHEBI:28911 biolink:ChemicalSubstance cob(III)alamin A cobalamin in which the central cobalt atom has an oxidation state of +3. CAS:13408-78-1|COMe:MOL000035|Gmelin:2291945|KEGG:C05776|KEGG:D00191 phenio.json Cbl|Cob(III)alamin|Cobalamin (III)|alpha-(5,6-dimethylbenzimidazolyl)cobamide|cob(III)alamin|cobalamin(1+)|cobalamin(III) http://purl.obolibrary.org/obo/CHEBI_28911 3_STAR
CHEBI:28912 biolink:ChemicalSubstance limit dextrin Limit dextrin is the remaining polymer produced by enzymatic hydrolysis of amylopectine with an amylase. KEGG:C02049 phenio.json Limit dextrin|limit dextrins http://purl.obolibrary.org/obo/CHEBI_28912 3_STAR
CHEBI:28914 biolink:ChemicalSubstance 1-acyl-sn-glycero-3-phospho-D-myo-inositol A 1-acylglycerophosphoinositol in which sn-glycerol, acylated at O(1), is linked through a phospho group at O(3) to O(1) of D-myo-inositol. KEGG:C03819|PMID:32534358|PMID:3964463|PMID:7548199 phenio.json 1-acyl-sn-glycero-3-phospho-1D-myo-inositol|1-acyl-sn-glycero-3-phosphoinositol|1-{[{[(2R)-3-(acyloxy)-2-hydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1D-myo-inositol http://purl.obolibrary.org/obo/CHEBI_28914 3_STAR
CHEBI:28915 biolink:ChemicalSubstance fosfomycin A phosphonic acid having an (R,S)-1,2-epoxypropyl group attached to phosphorus. CAS:23155-02-4|DrugBank:DB00828|Drug_Central:1243|KEGG:C06454|KEGG:D04253|KNApSAcK:C00000789|MetaCyc:CPD0-1113|PDBeChem:FCN|PMID:105327|PMID:17124631|PMID:19308743|PMID:2660079|PMID:288976|PMID:3464490|PMID:3900889|PMID:488578|PMID:614140|PMID:6348659|PMID:6796449|PMID:7030849|PMID:7224844|PMID:740308|PMID:9309262|Reaxys:1680831 phenio.json (-)-(1R,2S)-(1,2-Epoxypropyl)phosphonic acid|(1R,2S)-epoxypropylphosphonic acid|(2R-cis)-(3-Methyloxiranyl)phosphonic acid|1R-cis-(1,2-epoxypropyl)phosphonic acid|FCM|FOSFOMYCIN|L-cis-1,2-epoxypropylphosphonic acid|Phosphomycin|Phosphonomycin|[(2R,3S)-3-methyloxiran-2-yl]phosphonic acid|cis-(1R,2S)-epoxypropylphosphonic acid|fosfomicina|fosfomycin|fosfomycine|fosfomycinum|phosphonemycin http://purl.obolibrary.org/obo/CHEBI_28915 3_STAR
CHEBI:28917 biolink:ChemicalSubstance dihydromyricetin A hexahydroxyflavanone that is the 2,3-dihydro derivative of myricetin. Beilstein:4269977 phenio.json ampelopsin|rel-(2R,3R)-3,5,7,3',4',5'-hexahydroxyflavanone|rel-(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-2,3-dihydro-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_28917 3_STAR
CHEBI:28918 biolink:ChemicalSubstance (R)-adrenaline The R-enantiomer of adrenaline. It is a hormone secreted by the adrenal glands resulting in the 'fight-or-flight' response. CAS:51-43-4|DrugBank:DB00668|Drug_Central:1028|HMDB:HMDB0000068|KEGG:C00788|KEGG:D00095|KNApSAcK:C00029643|MetaCyc:L-EPINEPHRINE|PMID:18325983|PMID:21963816|PMID:22115931|PMID:22405854|PMID:22425731|PMID:22429969|PMID:22569014|PMID:22623754|PMID:22826982|PMID:22895980|PMID:22898765|PMID:22905594|PMID:22940899|PMID:23066296|PMID:23130169|PMID:23164182|PMID:23185846|PMID:29438107|Reaxys:2368277|Wikipedia:Epinephrine phenio.json (-)-(R)-epinephrine|(-)-3,4-dihydroxy-alpha-((methylamino)methyl)benzyl alcohol|(-)-adrenaline|(R)-(-)-Adnephrine|(R)-(-)-Adrenaline|(R)-(-)-Epinephrine|(R)-(-)-Epirenamine|(R)-(-)-adrenaline|4-[(1R)-1-Hydroxy-2-(methylamino)ethyl]-1,2-benzenediol|4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol|Adrenalin|Epinephrin|Epipen|Epipen JR|L-Adrenaline|Primatene|adrenaline|epinefrina|epinephrine|epinephrinum|levoepinephrine http://purl.obolibrary.org/obo/CHEBI_28918 3_STAR
CHEBI:28925 biolink:ChemicalSubstance mechlorethamine CAS:51-75-2|DrugBank:DB00888|Drug_Central:1647|KEGG:C07115|KEGG:D07671|Wikipedia:Mechlorethamine phenio.json 2,2'-dichloro-N-methyldiethylamine|2-chloro-N-(2-chloroethyl)-N-methylethanamine|Chlormethine|Mechlorethamine|N-methyl-bis(2-chloroethyl)amine|N-methyl-bis(beta-chloroethyl)amine|beta,beta'-dichlorodiethyl-N-methylamine|bis(2-chloroethyl)methylamine|bis(beta-chloroethyl)methylamine|chlormethine|methylbis(2-chloroethyl)amine|methylbis(beta-chloroethyl)amine|nitrogen mustard http://purl.obolibrary.org/obo/CHEBI_28925 3_STAR
CHEBI:28927 biolink:ChemicalSubstance sakuranetin A flavonoid phytoalexin that is (S)-naringenin in which the hydroxy group at position 7 is replaced by a methoxy group. CAS:2957-21-3|HMDB:HMDB0030090|KEGG:C09833|KNApSAcK:C00000999|LIPID_MAPS_instance:LMPK12140571|MetaCyc:CPD-7079|PDBeChem:SAK|PMID:18522800|PMID:22148193|PMID:22512738|PMID:22895058|PMID:23170811|Reaxys:92466|Wikipedia:Sakuranetin phenio.json (2S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one|(2S)-sakuranetin|(S)-(-)-4',5-dihydroxy-7-methoxyflavanone|(S)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one|4',5-dihydroxy-7-methoxyflavanone|5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one|Naringenin 7-methyl ether|Sakuranetin http://purl.obolibrary.org/obo/CHEBI_28927 3_STAR
CHEBI:28928 biolink:ChemicalSubstance angelicin Beilstein:153970|CAS:523-50-2|KEGG:C09060|KNApSAcK:C00002450 phenio.json 2H-furo[2,3-h]chromen-2-one|Angelicin|Isopsoralen|angelicin http://purl.obolibrary.org/obo/CHEBI_28928 3_STAR
CHEBI:28934 biolink:ChemicalSubstance vitamin D2 A vitamin D supplement and has been isolated from alfalfa. AGR:IND605848433|Beilstein:1916682|CAS:50-14-6|Chemspider:4444351|DrugBank:DB00153|Drug_Central:2838|FooDB:FDB012811|Gmelin:1310395|HMDB:HMDB0000900|KEGG:C05441|KEGG:D00187|LIPID_MAPS_instance:LMST03010001|MetaCyc:VITAMIN_D2|PDBeChem:D2V|PMCID:PMC6578466|PMID:24362707|PMID:24780068|PMID:24854739|PMID:31199458|PMID:31614966|PMID:31987498|PMID:32784944|PMID:34302325|PPDB:107|Patent:US1680818|Patent:US1871136|Patent:US1902785|Patent:US2030792|Wikipedia:Ergocalciferol phenio.json (+)-vitamin D2|(3S,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol|(3beta,5Z,7E,22E)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol|(5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-ol|(5Z,7E,22E)-(3S)-9,10-secoergosta-5,7,10(19),22-tetraen-3-ol|Buco-D|Decaps|Dee-Ron|Deltalin|Diactol|Doral|Drisdol|Ertron|Geltabs|Ostelin|Radiostol|Radsterin|Rodine C|Rodinec|Sterogyl|Vio-D|Viosterol|Vitamin D2|Vitamina D2|Vitavel-D|activated ergosterol|calciferol|ercalciol|ergocalciferol|ergocalciferolum|oleovitamin D2|vitamin D2 http://purl.obolibrary.org/obo/CHEBI_28934 3_STAR
CHEBI:28935 biolink:ChemicalSubstance (E)-hexadec-2-enoyl-CoA A hexadec-2-enoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (E)-hexadec-2-enoic acid. KEGG:C05272|PMID:21502722|PMID:3977322|PMID:6654894 phenio.json (2E)-Hexadecenoyl-CoA|(2E)-hexadecenoyl-coenzyme A|(E)-2-hexadecenoyl-CoA|(E)-2-hexadecenoyl-coenzyme A|(E)-hexadec-2-enoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(2E)-hexadec-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|trans-2-Hexadecenoyl-CoA|trans-2-hexadecenoyl-coenzyme A|trans-Hexadec-2-enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_28935 3_STAR
CHEBI:28936 biolink:ChemicalSubstance 2-acyl-sn-glycero-3-phosphoethanolamine A lysophosphatidylethanolamine obtained by selective hydrolysis of the 1-acyl substituent of any 1,2-diacyl-sn-glycero-3-phosphoethanolamine. KEGG:C05973|LIPID_MAPS_instance:LMGP0205AA00 phenio.json L-1-Lysophosphatidylethanolamine|O-(2-Acyl-sn-glycero-3-phospho)-ethanolamine http://purl.obolibrary.org/obo/CHEBI_28936 3_STAR
CHEBI:28937 biolink:ChemicalSubstance (-)-abscisic acid The (1'R)-(-) enantiomer of abscisic acid, which does not occur naturally. Beilstein:2698958|KEGG:C11060 phenio.json (-)-ABA|(-)-Abscisic acid|(2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid|(7E,9Z)-(6R)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid|(R)-abscisic acid http://purl.obolibrary.org/obo/CHEBI_28937 3_STAR
CHEBI:28938 biolink:ChemicalSubstance ammonium An onium cation obtained by protonation of ammonia. CAS:14798-03-9|Gmelin:84|KEGG:C01342|MetaCyc:AMMONIUM|MolBase:929|PDBeChem:NH4|PMID:11319011|PMID:11341317|PMID:12096804|PMID:14512268|PMID:14879753|PMID:16345391|PMID:16903292|PMID:17392693|PMID:18515490|PMID:19199063|PMID:19596600|PMID:19682559|PMID:19716251|PMID:21993530|PMID:22265469|PMID:22524020|PMID:22562341|PMID:22631217|Reaxys:16093784|Wikipedia:Ammonium phenio.json Ammonium(1+)|NH4(+)|NH4+|[NH4](+)|ammonium|ammonium cation|ammonium ion|azanium http://purl.obolibrary.org/obo/CHEBI_28938 3_STAR
CHEBI:28939 biolink:ChemicalSubstance N-acetyl-L-cysteine An N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. CAS:616-91-1|DrugBank:DB06151|Drug_Central:66|Gmelin:142554|HMDB:HMDB0001890|KEGG:C06809|KEGG:D00221|LINCS:LSM-4672|MetaCyc:CPD-9175|PDBeChem:SC2|PMID:10651166|PMID:11544433|PMID:12057717|PMID:15025780|PMID:15647642|PMID:17174578|PMID:19580823|PMID:2026726|PMID:20819793|PMID:24119926|PMID:25553484|PMID:9624310|PMID:9711192|Reaxys:1724426|Wikipedia:Acetylcysteine phenio.json (2R)-2-acetylamino-3-sulfanylpropanoic acid|(R)-2-acetylamino-3-mercaptopropanoic acid|(R)-mercapturic acid|Acetylcysteine|L-acetylcysteine|L-alpha-acetamido-beta-mercaptopropionic acid|N-ACETYL-L-CYSTEINE|N-acetyl-L-(+)-cysteine|N-acetyl-L-cysteine|N-acetylcysteine|NAC|acetilcisteina|acetylcysteinum|mercapturic acid http://purl.obolibrary.org/obo/CHEBI_28939 3_STAR
CHEBI:28940 biolink:ChemicalSubstance calciol A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone. CAS:67-97-0|DrugBank:DB00169|Drug_Central:2840|Gmelin:1267613|HMDB:HMDB0000876|KEGG:C05443|KEGG:D00188|LIPID_MAPS_instance:LMST03020000|LIPID_MAPS_instance:LMST03020001|PDBeChem:VD3|PMID:10347174|PMID:11493580|PMID:12174089|PMID:12955389|PMID:15214747|PMID:15876428|PMID:16886665|PMID:17156784|PMID:184223|PMID:19817701|PMID:23964472|PMID:24304198|PMID:2838261|PMID:2997282|PMID:3494111|PMID:6265326|PMID:9627702|PPDB:160|Reaxys:2339331|Wikipedia:Cholecalciferol phenio.json (+)-vitamin D3|(1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLIDENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL|(3S,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol|(3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol|(5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol|CC|Cholecalciferol|Delta-D|Vitamin D3|activated 7-dehydrocholesterol|calciol|colecalciferol|oleovitamin D3|vitamin D3 http://purl.obolibrary.org/obo/CHEBI_28940 3_STAR
CHEBI:28941 biolink:ChemicalSubstance docosanoic acid A straight-chain, C22, long-chain saturated fatty acid. CAS:112-85-6|Chemspider:7923|Drug_Central:3855|FooDB:FDB005830|Gmelin:232293|HMDB:HMDB0000944|KEGG:C08281|KNApSAcK:C00001211|LIPID_MAPS_instance:LMFA01010022|PDBeChem:EO3|PMID:11124748|PMID:12357383|PMID:15716582|PMID:20565070|PMID:32601219|Reaxys:1792887|Wikipedia:Behenic_acid phenio.json 1-docosanoic acid|Behenic acid|Behensaeure|CH3-[CH2]20-COOH|Docosanoate|Docosanoic acid|Docosansaeure|Dokosansaeure|Heneicosansaeure|docosanic acid|docosanoic acid|docosoic acid|n-docosanoic acid http://purl.obolibrary.org/obo/CHEBI_28941 3_STAR
CHEBI:28951 biolink:ChemicalSubstance (9S,10S)-9,10-dihydrophenanthrene-9,10-diol Beilstein:2215123|Beilstein:5743771|KEGG:C11428|UM-BBD_compID:c0453 phenio.json (9S,10S)-9,10-dihydrophenanthrene-9,10-diol|trans-9(S),10(S)-Dihydrodiolphenanthrene http://purl.obolibrary.org/obo/CHEBI_28951 3_STAR
CHEBI:28952 biolink:ChemicalSubstance 5alpha-pregnane-3,20-dione A C21-steroid hormone that is 5alpha-pregnane substituted by oxo groups at positions 3 and 20. It is a metabolite of progestrone. CAS:566-65-4|HMDB:HMDB0003759|KEGG:C03681|LIPID_MAPS_instance:LMST02030170|PMID:15319353|PMID:17683929|PMID:19931389|Reaxys:2058506|Wikipedia:5%CE%B1-Dihydroprogesterone phenio.json 3,20-allopregnanedione|3,20-dioxo-5alpha-pregnane|5-alpha-dihydroprogesterone|5alpha-Dihydroprogesterone|5alpha-Pregnane-3,20-dione|5alpha-dihydroprogesterone|5alpha-pregnane-3,20-dione http://purl.obolibrary.org/obo/CHEBI_28952 3_STAR
CHEBI:28955 biolink:ChemicalSubstance 2-methoxy-17beta-estradiol A 17beta-hydroxy steroid, being 17beta-estradiol methoxylated at C-2. CAS:362-07-2|KEGG:C05302|LIPID_MAPS_instance:LMST02010035|PMID:12543804|PMID:16828472|PMID:16969706|PMID:18566218|PMID:19228747|PMID:19577796|PMID:20499131|PMID:20960192|PMID:9018099|Patent:CA2499254|Patent:CN1672746|Patent:JP2005270658|Patent:US2009104246|Reaxys:3147966 phenio.json 1,3,5(10)-ESTRATRIEN-2,3,17-BETA-TRIOL 2-METHYL ETHER|2-Hydroxyestradol 2-methyl ether|2-Methoxyestradiol-17beta|2-methoxy-17beta-estradiol|2-methoxyestra-1,3,5(10)-triene-3,17beta-diol|2-methoxyestradiol|Panzem http://purl.obolibrary.org/obo/CHEBI_28955 3_STAR
CHEBI:28956 biolink:ChemicalSubstance cobinamide Beilstein:4122727|CAS:13497-85-3|FooDB:FDB024149|Gmelin:1018261|Gmelin:472633|HMDB:HMDB0006902|KEGG:C05774|MetaCyc:COBINAMIDE|PDBeChem:CBY phenio.json Cbi|Cob(I)inamide|Cobinamid|Cobinamide|cob(I)inamide|cobinamide http://purl.obolibrary.org/obo/CHEBI_28956 3_STAR
CHEBI:2896 biolink:ChemicalSubstance astemizole A piperidine compound having a 2-(4-methoxyphenyl)ethyl group at the 1-position and an N-[(4-fluorobenzyl)benzimidazol-2-yl]amino group at the 4-position. Beilstein:4830190|CAS:68844-77-9|DrugBank:DB00637|Drug_Central:249|KEGG:C06832|KEGG:D00234|LINCS:LSM-5502|Patent:EP5318|Patent:US4219559 phenio.json 1-(4-fluorobenzyl)-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-amine|1-(p-Fluorobenzyl)-2-((1-(2-(p-methoxyphenyl)ethyl)piperid-4-yl)amino)benzimidazole|1-(p-Fluorobenzyl)-2-((1-(p-methoxyphenethyl)-4-piperidyl)amino)benzimidazole|Astemison|astemizol|astemizole|astemizolum http://purl.obolibrary.org/obo/CHEBI_2896 3_STAR
CHEBI:28963 biolink:ChemicalSubstance amino sugar Any sugar having one or more alcoholic hydroxy groups replaced by substituted or unsubstituted amino groups. KEGG:C05383|PMID:18424273|PMID:9056391 phenio.json Aminosugars|amino sugars|aminosugar http://purl.obolibrary.org/obo/CHEBI_28963 3_STAR
CHEBI:28965 biolink:ChemicalSubstance dicarboxylic acid dianion A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid. phenio.json a dicarboxylate|dicarboxylate|dicarboxylates|dicarboxylic acid dianion|dicarboxylic acid dianions http://purl.obolibrary.org/obo/CHEBI_28965 3_STAR
CHEBI:28966 biolink:ChemicalSubstance chlorophyll A family of magnesium porphyrins, defined by the presence of a fifth ring beyond the four pyrrole-like rings. The rings can have various side chains which usually include a long phytol chain. CAS:1406-65-1|COMe:MOL000012|KEGG:C01793|PMID:29286160 phenio.json Chlorophyll|chlorophyll|chlorophylls http://purl.obolibrary.org/obo/CHEBI_28966 3_STAR
CHEBI:28968 biolink:ChemicalSubstance N'-phosphoguanidinoethyl methyl hydrogen phosphate KEGG:C04503 phenio.json (6-hydroxy-6-oxido-5,7-dioxa-2-aza-6-phosphaoctan-1-imidoyl)phosphoramidic acid|2-{[imino(phosphonoamino)methyl]amino}ethyl methyl hydrogen phosphate|N'-Phosphoguanidinoethyl methyl phosphate|N'-phosphoguanidinoethyl methyl phosphate http://purl.obolibrary.org/obo/CHEBI_28968 3_STAR
CHEBI:28969 biolink:ChemicalSubstance N,N-dimethyltryptamine A tryptamine derivative having two N-methyl substituents on the side-chain. Beilstein:138259|CAS:61-50-7|KEGG:C08302|KNApSAcK:C00001407 phenio.json 2-(1H-indol-3-yl)-N,N-dimethylethanamine|2-(3-indolyl)ethyldimethylamine|3-(2-dimethylaminoethyl)indole|3-[2-(dimethylamino)ethyl]indole|DMT|N,N-Dimethyltryptamine|N,N-dimethyl-1H-indole-3-ethylamine http://purl.obolibrary.org/obo/CHEBI_28969 3_STAR
CHEBI:28971 biolink:ChemicalSubstance ampicillin A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group. CAS:69-53-4|DrugBank:DB00415|Drug_Central:198|HMDB:HMDB0014559|KEGG:C06574|KEGG:D00204|LINCS:LSM-5761|PDB:1H8S|PDBeChem:AIC|PDBeChem:PN1|PMID:10930630|PMID:12562703|PMID:12569987|PMID:12833570|PMID:14139119|PMID:14455820|PMID:15768449|PMID:16033609|PMID:18611716|PMID:19967069|PMID:2083978|PMID:23568176|PMID:23861268|PMID:24474427|PMID:24666465|PMID:25998949|PMID:28543395|PMID:29017833|PMID:6176550|PMID:8020088|PMID:9433938|Patent:GB902703|Patent:US2985648|Patent:US3157640|Reaxys:4300240|VSDB:1849|Wikipedia:Ampicillin phenio.json (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID|(2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|(2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6-(D-(2-amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid|6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid|ABPC|AMP|AP|Ampicillin|Anhydrous ampicillin|D-(-)-6-(alpha-aminophenylacetamido)penicillanic acid|D-(-)-ampicillin|aminobenzylpenicillin|ampicilina|ampicillin|ampicillin acid|ampicillin anhydrous|ampicilline|ampicillinum http://purl.obolibrary.org/obo/CHEBI_28971 3_STAR
CHEBI:28972 biolink:ChemicalSubstance (R)-propane-1,2-diol CAS:4254-14-2|DrugBank:DB02159|KEGG:C02912|PDBeChem:PGR phenio.json (2R)-propane-1,2-diol|(R)-1,2-Propanediol|(R)-Propane-1,2-diol|(R)-Propylene glycol|(R)-propane-1,2-diol|R-1,2-PROPANEDIOL http://purl.obolibrary.org/obo/CHEBI_28972 3_STAR
CHEBI:28973 biolink:ChemicalSubstance strychnine A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position. BPDB:2066|CAS:57-24-9|Drug_Central:2484|Gmelin:117894|KEGG:C06522|KNApSAcK:C00001770|KNApSAcK:C00025213|PDBeChem:SY9|PMID:10471592|PMID:10821054|PMID:11024105|PMID:11157095|PMID:11324564|PMID:11327524|PMID:11453337|PMID:11516560|PMID:11900860|PMID:12611967|PMID:12718443|PMID:12742643|PMID:12757728|PMID:14530208|PMID:14552874|PMID:14575889|PMID:15046720|PMID:15275654|PMID:15302677|PMID:15601738|PMID:15610168|PMID:16075189|PMID:16171972|PMID:16887371|PMID:16950410|PMID:17145135|PMID:17365101|PMID:17449162|PMID:17595105|PMID:17827655|PMID:17900376|PMID:18199816|PMID:19071748|PMID:19194159|PMID:19200346|PMID:19394327|PMID:19445923|PMID:19617896|PMID:19628662|PMID:20534469|PMID:20810461|PMID:20837125|PMID:21042643|PMID:21109870|PMID:21468359|PMID:21506420|PMID:21532268|PMID:21616062|PMID:21618309|PMID:21666516|PMID:21726589|PMID:22168233|PMID:22417832|PMID:23395890|PMID:25702781|PMID:25877308|PMID:25958869|PMID:26028680|PMID:26173662|PMID:26223366|PMID:26330182|PMID:26416729|PMID:26556179|PMID:26625339|PMID:9918589|Reaxys:52979|Wikipedia:Strychnine phenio.json Strychnin|Strychnine|strychnidin-10-one http://purl.obolibrary.org/obo/CHEBI_28973 3_STAR
CHEBI:28975 biolink:ChemicalSubstance 2,5-dichloro-2,5-cyclohexadiene-1,4-diol A cyclohexadienediol that is cyclohexa-2,5-diene-1,4-diol in which positions 2 and 5 are substituted by chlorines. KEGG:C06599|MetaCyc:25-DDOL|PMID:16636477|PMID:17686029|PMID:21389627|PMID:7691794|Reaxys:11097793|UM-BBD_compID:c0543 phenio.json 1,4-dihydroxyl-2,5-dichloro-2,5-cyclohexadiene|2,5-dichloro-2,5-cyclohexadiene-1,4-diol|2,5-dichlorocyclohexa-2,5-dien-1,4-diol|2,5-dichlorocyclohexa-2,5-diene-1,4-diol http://purl.obolibrary.org/obo/CHEBI_28975 3_STAR
CHEBI:28976 biolink:ChemicalSubstance carbonic acid CAS:463-79-6|Gmelin:25554|KEGG:C01353|PDBeChem:CO3 phenio.json Carbonic acid|Dihydrogen carbonate|H2CO3|Koehlensaeure|[CO(OH)2]|carbonic acid|dihydroxidooxidocarbon http://purl.obolibrary.org/obo/CHEBI_28976 3_STAR
CHEBI:28977 biolink:ChemicalSubstance 2-hydroxy-3-carboxylato-6-oxo-7-methylocta-2,4-dienoate A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy groups of 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid; major species at pH 7.3. MetaCyc:CPD-1007 phenio.json (2Z)-2-hydroxy-3-[(1Z)-4-methyl-3-oxopent-1-en-1-yl]but-2-enedioate|3-carboxy-2-hydroxy-7-methyl-6-oxo-(2Z,4Z)-octadienoate http://purl.obolibrary.org/obo/CHEBI_28977 3_STAR
CHEBI:28984 biolink:ChemicalSubstance aluminium atom CAS:7429-90-5|DrugBank:DB01370|Gmelin:16248|KEGG:C06264|WebElements:Al phenio.json 13Al|Al|Aluminium|aluminio|aluminium|aluminum http://purl.obolibrary.org/obo/CHEBI_28984 3_STAR
CHEBI:28987 biolink:ChemicalSubstance abietic acid An abietane diterpenoid that is abieta-7,13-diene substituted by a carboxy group at position 18. CAS:514-10-3|Gmelin:114879|KEGG:C06087|KNApSAcK:C00000871|LIPID_MAPS_instance:LMPR0104050001|PMID:25104764|Reaxys:2221451|Wikipedia:Abietic_acid phenio.json (1R,4aR,10aR)-1,4a-dimethyl-7-(propan-2-yl)-1,2,3,4,4a,5,6,10,10a-decahydrophenanthrene-1-carboxylic acid|13-isopropylpodocarpa-7,13-dien-15-oic acid|7,13-abietadien-18-oic acid|Abietic acid|abieta-7,13-dien-18-oic acid|sylvic acid http://purl.obolibrary.org/obo/CHEBI_28987 3_STAR
CHEBI:2899 biolink:ChemicalSubstance trans-astringin A stilbenoid that is piceatannol substituted at position 3 by a beta-D-glucosyl residue. CAS:29884-49-9|KEGG:C10245|KNApSAcK:C00002870|LIPID_MAPS_instance:LMPK13090007|PMID:10457456|PMID:10552542|PMID:11962253|PMID:15998130|PMID:20113506|PMID:21487710|PMID:21865488|PMID:22144103|PMID:23150460|PMID:23624538|Reaxys:1408080|Wikipedia:Astringin phenio.json (E)-Astringin|3,4,3',5'-Tetrahydroxystilbene 3'-glucoside|3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-5-hydroxyphenyl beta-D-glucopyranoside|Astringin|piceatannol 3-O-beta-D-glucoside|piceatannol 3-beta-D-glucoside|piceatannol 3-beta-glucoside http://purl.obolibrary.org/obo/CHEBI_2899 3_STAR
CHEBI:28991 biolink:ChemicalSubstance (2S,3R)-aldono-1,5-lactone Any aldono-1,5-lactone having 2S,3R-threo stereochemistry. A representative structure is provided. KEGG:C16581|MetaCyc:CPD-8549 phenio.json (2S,3R)-Aldono-1,5-lactone|D-threo-Aldono-1,5-lactone|a D-threo-aldono-1,5-lactone http://purl.obolibrary.org/obo/CHEBI_28991 3_STAR
CHEBI:28992 biolink:ChemicalSubstance 2-hydroxychromene-2-carboxylic acid A chromenemonocarboxylic acid that consists of chromene bearing carboxy and hydroxy substituents at the 2-position. KEGG:C06204|UM-BBD_compID:c0335 phenio.json 2-Hydroxy-2H-chromene-2-carboxylate|2-hydroxy-2H-chromene-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_28992 3_STAR
CHEBI:28995 biolink:ChemicalSubstance 2,4-dichlorobenzoate A chlorobenzoate obtained by deprotonation of the carboxy group of 2,4-dichlorobenzoic acid. Gmelin:329290|Reaxys:4135889|UM-BBD_compID:c0188 phenio.json 2,4-dichlorobenzoate http://purl.obolibrary.org/obo/CHEBI_28995 3_STAR
CHEBI:28997 biolink:ChemicalSubstance 2'-deoxyinosine A purine 2'-deoxyribonucleoside that is inosine in which the hydroxy group at position 2' is replaced by a hydrogen. CAS:890-38-0|DrugBank:DB02380|HMDB:HMDB0000071|KEGG:C05512|MetaCyc:DEOXYINOSINE|PMID:23408659|PMID:24292023|Reaxys:1011821|YMDB:YMDB00659 phenio.json 2'-deoxyinosine|9-(2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purin-6-ol|9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-9H-purin-6-ol|Deoxyinosine http://purl.obolibrary.org/obo/CHEBI_28997 3_STAR
CHEBI:28999 biolink:ChemicalSubstance N-acetyl-9-O-acetylneuraminate KEGG:C04017|MetaCyc:N-ACETYL-9-O-ACETYLNEURAMINATE phenio.json 5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonate|N,9-O-Diacetylneuraminate|N-Acetyl-9-O-acetylneuraminate|N-acetyl-9-O-acetylneuraminate http://purl.obolibrary.org/obo/CHEBI_28999 3_STAR
CHEBI:29002 biolink:ChemicalSubstance (S)-propane-1,2-diol DrugBank:DB04349|KEGG:C02917|PDBeChem:PGO phenio.json (2S)-propane-1,2-diol|(S)-1,2-Propanediol|(S)-Propane-1,2-diol|(S)-Propylene glycol|(S)-propane-1,2-diol http://purl.obolibrary.org/obo/CHEBI_29002 3_STAR
CHEBI:29003 biolink:ChemicalSubstance L-citramalic acid The L-enantiomer of citramalic acid. CAS:6236-09-5|KEGG:C02614|KNApSAcK:C00001181|PMID:13160011|PMID:16232765|PMID:35499032 phenio.json (2S)-2-hydroxy-2-methylbutanedioic acid|(2S)-2-hydroxy-2-methylsuccinic acid|(3S)-Citramalic acid|(3S)-alpha-Hydroxypyrotartaric acid|(S)-2-Hydroxy-2-methylsuccinic acid|(S)-2-methylmalic acid|(S)-Citramalic acid|L-Citramalic acid|L-alpha-Hydroxypyrotartaric acid|S-alpha-Hydroxypyrotartaric acid|S-citramalic acid http://purl.obolibrary.org/obo/CHEBI_29003 3_STAR
CHEBI:29005 biolink:ChemicalSubstance cyclohexane An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. CAS:110-82-7|DrugBank:DB03561|Gmelin:1662|HMDB:HMDB0029597|KEGG:C11249|MetaCyc:CPD-8923|PDBeChem:CHX|PMID:11234809|PMID:24334480|Reaxys:1900225|Wikipedia:Cyclohexane phenio.json CYCLOHEXANE|Cyclohexan|Cyclohexane|cyclohexane|hexahydrobenzene|hexamethylene|hexanaphthene http://purl.obolibrary.org/obo/CHEBI_29005 3_STAR
CHEBI:29006 biolink:ChemicalSubstance N-acetyl-4-O-acetylneuraminate Conjugate base of N-acetyl-4-O-acetylneuraminic acid. KEGG:C04015 phenio.json 5-acetamido-4-O-acetyl-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonate|N,4-O-Diacetylneuraminate|N-acetyl-4-O-acetylneuraminate http://purl.obolibrary.org/obo/CHEBI_29006 3_STAR
CHEBI:29007 biolink:ChemicalSubstance ceftriaxone A third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl side-groups. CAS:73384-59-5|DrugBank:DB01212|Drug_Central:564|HMDB:HMDB0015343|KEGG:C06683|KEGG:D07659|MetaCyc:CPD-12294|PMID:11067716|PMID:11285492|PMID:11431418|PMID:11432680|PMID:11529382|PMID:11605716|PMID:11642230|PMID:11760218|PMID:11815759|PMID:11856984|PMID:11875753|PMID:11985490|PMID:12146884|PMID:12426628|PMID:12569987|PMID:12711894|PMID:12797390|PMID:12830336|PMID:12833570|PMID:12868545|PMID:1384868|PMID:15091234|PMID:15106316|PMID:15225244|PMID:15499067|PMID:15828439|PMID:15846537|PMID:15880392|PMID:15886468|PMID:16082406|PMID:16118675|PMID:16161754|PMID:16185184|PMID:16602117|PMID:16640341|PMID:16734965|PMID:17129840|PMID:17173674|PMID:17216959|PMID:17226043|PMID:17347554|PMID:17367972|PMID:17592517|PMID:18246742|PMID:18473104|PMID:18484523|PMID:18611641|PMID:18676229|PMID:18773080|PMID:18977704|PMID:19008722|PMID:19367098|PMID:19423473|PMID:19496200|PMID:19625514|PMID:19649758|PMID:21425867|PMID:29017833|Patent:GB2022090|Patent:US4327210|Reaxys:6495519|Wikipedia:Ceftriaxone phenio.json (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid|ceftriaxona|ceftriaxone|ceftriaxonum|rocephin http://purl.obolibrary.org/obo/CHEBI_29007 3_STAR
CHEBI:29009 biolink:ChemicalSubstance N(tele)-methylhistamine A primary amino compound that is the N(tele)-methyl derivative of histamine. CAS:501-75-7|Gmelin:2906|HMDB:HMDB0001861|KEGG:C05127|MetaCyc:N-METHYL-HISTAMINE|PMID:23024434|PMID:2409780|PMID:7711000|Reaxys:110757 phenio.json 1-Methyl-4-(2-aminoethyl)imidazole|1-Methylhistamine|1-methyl-1H-imidazole-4-ethanamine|2-(1-methyl-1H-imidazol-4-yl)ethanamine|3-Methylhistamine|4-(1-aminoethyl)-1-methyl-1H-imidazole|Methylhistamine|N(1)-methylhistamine|N-Methylhistamine|Ntau-Methylhistamine|tele-methylhistamine http://purl.obolibrary.org/obo/CHEBI_29009 3_STAR
CHEBI:29013 biolink:ChemicalSubstance fusidic acid A steroid antibiotic that is isolated from the fermentation broth of Fusidium coccineum. Beilstein:5672885|CAS:6990-06-3|DrugBank:DB02703|Drug_Central:1261|HMDB:HMDB0015570|KEGG:C06694|KEGG:D04281|KNApSAcK:C00023903|LIPID_MAPS_instance:LMPR0106040001|MetaCyc:CPD0-1606|PDBeChem:FUA|PMID:11412963|PMID:12937375|PMID:13899435|PMID:13996455|PMID:15843024|PMID:17082187|PMID:20797618|PMID:22066960|PMID:22100514|PMID:22197537|PMID:22290345|PMID:22308410|PMID:22354299|PMID:22612900|PMID:22645663|PMID:22888356|PMID:23102978|PMID:23114758|PMID:23147726|PMID:8624493|Reaxys:2197692|VSDB:1776|Wikipedia:Fusidic_acid phenio.json (2Z)-2-[(17Z)-16beta-acetoxy-3alpha,11alpha-dihydroxy-4alpha,8alpha,10,14beta-tetramethyl-5alpha,9beta,13alpha-gonan-17-ylidene]-6-methylhept-5-enoic acid|Fucidin acid|Fusidic acid|Fusidine|Ramycin|fucidic acid http://purl.obolibrary.org/obo/CHEBI_29013 3_STAR
CHEBI:29014 biolink:ChemicalSubstance cordycepin Beilstein:0035194|CAS:73-03-0|KEGG:C08431|KNApSAcK:C00001495|PDBeChem:3AD phenio.json 3'-deoxyadenosine|9-(beta-D-3'-Deoxyribofuranosyl)adenine|9-Cordyceposidoadenine|9H-Purine, 6-amino-9-(3-deoxy-beta-D-ribofuranosyl)-|Cordycepin|Cordycepine|cordycepin http://purl.obolibrary.org/obo/CHEBI_29014 3_STAR
CHEBI:29016 biolink:ChemicalSubstance arginine An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. CAS:7200-25-1|KEGG:C02385|PMID:10848923|Reaxys:1725411|Wikipedia:L-Arginine phenio.json 2-Amino-5-guanidinovaleric acid|2-amino-5-(carbamimidamido)pentanoic acid|2-amino-5-guanidinopentanoic acid|Arginin|Arginine|Harg|arginine http://purl.obolibrary.org/obo/CHEBI_29016 3_STAR
CHEBI:29017 biolink:ChemicalSubstance 1-acyl-sn-glycero-3-phosphoethanolamine A 1-O-acylglycerophosphoethanolamine having (R)-configuration. KEGG:C04438|LIPID_MAPS_instance:LMGP02050000 phenio.json 1-Acyl-sn-glycero-3-phosphoethanolamine|L-2-Lysophosphatidylethanolamine http://purl.obolibrary.org/obo/CHEBI_29017 3_STAR
CHEBI:29019 biolink:ChemicalSubstance nonanoic acid A C9 straight-chain saturated fatty acid which occurs naturally as esters of the oil of pelargonium. Has antifungal properties, and is also used as a herbicide as well as in the preparation of plasticisers and lacquers. BPDB:1327|CAS:112-05-0|Gmelin:185341|KEGG:C01601|KNApSAcK:C00030829|LIPID_MAPS_instance:LMFA01010009|MetaCyc:CPD-8505|PMID:11413921|PMID:16124228|PMID:19274268|PMID:20673187|Reaxys:1752351|Wikipedia:Nonanoic_acid phenio.json 1-nonanoic acid|1-octanecarboxylic acid|CH3-[CH2]7-COOH|Nonanoate|Nonanoic acid|Nonansaeure|Pelargonic acid|Pelargonsaeure|n-nonanoic acid|nonanoic acid|nonoic acid|nonylic acid|pelargic acid|pelargon|pergonic acid http://purl.obolibrary.org/obo/CHEBI_29019 3_STAR
CHEBI:29021 biolink:ChemicalSubstance hexane An unbranched alkane containing six carbon atoms. CAS:110-54-3|DrugBank:DB02764|Gmelin:1985|HMDB:HMDB0029600|KEGG:C11271|LIPID_MAPS_instance:LMFA11000007|PDBeChem:HEX|PMID:11292478|PMID:11684179|PMID:11886809|PMID:15325316|PMID:18231777|PMID:19229957|PMID:19384711|PMID:23452516|PMID:23567114|PMID:23620851|PMID:23740543|PMID:23822317|PMID:23931182|PMID:7612176|Reaxys:1730733|Wikipedia:Hexane phenio.json CH3-[CH2]4-CH3|HEXANE|Hexan|Hexane|hexane|n-Hexane http://purl.obolibrary.org/obo/CHEBI_29021 3_STAR
CHEBI:29025 biolink:ChemicalSubstance N-glycoloylneuraminate KEGG:C03410 phenio.json 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulopyranosonate|N-Glycoloyl-neuraminate|N-Glycolylneuraminate|N-glycoloylneuraminate|NeuNGc http://purl.obolibrary.org/obo/CHEBI_29025 3_STAR
CHEBI:29026 biolink:ChemicalSubstance urobilinogen A member of the class of bilanes that is a colourless product formed in the intestine by the reduction of bilirubin. CAS:14684-37-8|HMDB:HMDB0004158|KEGG:C05790|PMID:21614935|PMID:24709296|PMID:24714521|Reaxys:75461 phenio.json 2,17-diethyl-1,4,5,10,15,16,19,22,23,24-decahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid|2,17-diethyl-3,7,13,18-tetramethyl-1,19-dioxo-1,4,5,10,15,16,19,22,23,24-decahydro-21H-biline-8,12-dipropanoic acid|8,12-bis(2-carboxyethyl)-3,18-diethyl-2,7,13,17-tetramethylbilane-1,19(4H,16H)-dione|I-Urobilinogen|Mesobilirubinogen|Urobilinogen|mesobilirubinogen IXalpha|urobilinogen IXalpha http://purl.obolibrary.org/obo/CHEBI_29026 3_STAR
CHEBI:29028 biolink:ChemicalSubstance glucobrassicin An indolylmethylglucosinolic acid that is 1-thio-beta-D-glucopyranose having a 2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl group attached to the anomeric sulfur. CAS:4356-52-9|HMDB:HMDB0030243|KEGG:C05837|KNApSAcK:C00000125|MetaCyc:CPD-1863|PMID:19567706|Reaxys:504069|Wikipedia:Glucobrassicin phenio.json 1-S-[2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl]-1-thio-beta-D-glucopyranose|3-IMG|3-Indolylmethyl glucosinolate|3-Indolylmethylglucosinolate|Glucobrassicin|Indolylmethyl glucosinolate|indol-3-ylmethylglucosinolate http://purl.obolibrary.org/obo/CHEBI_29028 3_STAR
CHEBI:29031 biolink:ChemicalSubstance phosphinic acid A phosphorus oxoacid that consists of a single pentavalent phosphorus covalently bound via single bonds to two hydrogens and a hydroxy group and via a double bond to an oxygen. The parent of the class of phosphinic acids. CAS:6303-21-5|Gmelin:25147|KEGG:C05339|KEGG:D02334|MolBase:594|Reaxys:3600366|Wikipedia:Phosphinic_acid phenio.json H2PO(OH)|H3PO2|HPA|HPH2O2|Hypophosphorous acid|Phosphinic acid|[PH2(OH)O]|[PH2O(OH)]|dihydridodioxophosphoric acid|dihydridohydroxidooxidophosphorus|hydrogen dihydridodioxophosphate(1-)|hydrophosphorous acid http://purl.obolibrary.org/obo/CHEBI_29031 3_STAR
CHEBI:29032 biolink:ChemicalSubstance (R)-pantothenate A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group. CAS:20938-62-9|Gmelin:775395|MetaCyc:PANTOTHENATE|PMID:15565250|PMID:16042590|Reaxys:3907450 phenio.json (R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, ion(1-)|(R)-Pantothenate|(R)-pantothenate|3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoate|pantothenate http://purl.obolibrary.org/obo/CHEBI_29032 3_STAR
CHEBI:29033 biolink:ChemicalSubstance iron(2+) CAS:15438-31-0|Gmelin:6845|KEGG:C14818|PDBeChem:FE2 phenio.json FE (II) ION|Fe(2+)|Fe(II)|Fe2+|Ferrous ion|Iron(2+)|iron ion(2+)|iron(2+)|iron(2+) ion|iron(II) cation http://purl.obolibrary.org/obo/CHEBI_29033 3_STAR
CHEBI:29034 biolink:ChemicalSubstance iron(3+) CAS:20074-52-6|Gmelin:15986|KEGG:C14819|PDBeChem:FE phenio.json FE (III) ION|Fe(3+)|Fe(III)|Fe3+|Ferric ion|Iron(3+)|ferric iron|iron(3+)|iron(3+) ion|iron(III) cation|iron, ion (Fe(3+)) http://purl.obolibrary.org/obo/CHEBI_29034 3_STAR
CHEBI:29035 biolink:ChemicalSubstance manganese(2+) A divalent metal cation in which the metal is manganese. CAS:16397-91-4|Gmelin:6858|PDBeChem:MN phenio.json MANGANESE (II) ION|Mn(2+)|Mn(II)|Mn2+|manganese(2+)|manganese(2+) ion|manganese(II)|manganese(II) cation|manganese, ion (Mn2+)|manganous ion http://purl.obolibrary.org/obo/CHEBI_29035 3_STAR
CHEBI:29036 biolink:ChemicalSubstance copper(2+) An ion of copper carrying a double positive charge. CAS:15158-11-9|Gmelin:6855|PDBeChem:CU|PMID:23900424|PMID:24168430|Reaxys:3587177 phenio.json COPPER (II) ION|Cu(2+)|Cu(II)|Cu2+|copper(2+)|copper(2+) ion|copper(II) cation|copper, ion (Cu2+)|cupric ion http://purl.obolibrary.org/obo/CHEBI_29036 3_STAR
CHEBI:29039 biolink:ChemicalSubstance 1,2-diacyl-sn-glycero-3-phospho-1'-(3'-O-L-lysyl)-sn-glycerol A phosphatidylglycerol that is the 3'-O-L-lysyl of any 1,2-diacyl-sn-glycero-3-phospho-1'-sn-glycerol. KEGG:C04482 phenio.json 3-phosphatidyl-1'-(3'-O-L-lysyl)glycerol http://purl.obolibrary.org/obo/CHEBI_29039 3_STAR
CHEBI:2904 biolink:ChemicalSubstance atenolol An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent. CAS:29122-68-7|DrugBank:DB00335|Drug_Central:255|Gmelin:2179742|HMDB:HMDB0001924|KEGG:D00235|LINCS:LSM-4355|PMID:23581644|PMID:9813739|Patent:DE2007751|Patent:US3663607|Patent:US3836671|Reaxys:2739235|VSDB:2965|Wikipedia:Atenolol phenio.json 1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol|2-(4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)acetamide|2-(p-(2-Hydroxy-3-(isopropylamino)propoxy)phenyl)acetamide|4-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzeneacetamide|atenolol|atenololum http://purl.obolibrary.org/obo/CHEBI_2904 3_STAR
CHEBI:29041 biolink:ChemicalSubstance manganese(3+) CAS:14546-48-6|Gmelin:15999|PDBeChem:MN3 phenio.json MANGANESE (III) ION|Mn(3+)|manganese(3+)|manganese(3+) ion|manganese(3+), ion|manganese(III) cation|manganic ion http://purl.obolibrary.org/obo/CHEBI_29041 3_STAR
CHEBI:29042 biolink:ChemicalSubstance alpha-D-glucose 1-phosphate A D-glucopyranose 1-phosphate in which the anomeric centre has alpha-configuration. CAS:59-56-3|DrugBank:DB02843|Drug_Central:3265|HMDB:HMDB0001586|KEGG:C00103|KNApSAcK:C00007482|MetaCyc:GLC-1-P|PDBeChem:G1P|PMID:12596851|PMID:8948464|Reaxys:87853|Wikipedia:Glucose-1-phosphate phenio.json 1-O-phosphono-alpha-D-glucopyranose|ALPHA-D-GLUCOSE-1-PHOSPHATE|Cori ester|D-Glucose 1-phosphate|D-Glucose alpha-1-phosphate|alpha-D-Glucose 1-phosphate|alpha-D-Glucose-1-phosphate|alpha-D-glucopyranose 1-(dihydrogen phosphate)|alpha-D-glucopyranosyl phosphate http://purl.obolibrary.org/obo/CHEBI_29042 3_STAR
CHEBI:29043 biolink:ChemicalSubstance O-beta-D-glucosyl-cis-zeatin Beilstein:6540777|KEGG:C15546 phenio.json (2Z)-2-methyl-4-(1H-purin-6-ylamino)but-2-en-1-yl beta-D-glucopyranoside|O-beta-D-glucosyl-cis-zeatin|cis-Zeatin-O-glucoside http://purl.obolibrary.org/obo/CHEBI_29043 3_STAR
CHEBI:29044 biolink:ChemicalSubstance 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioate phenio.json 2-amino-3-(3-oxoprop-1-en-1-yl)but-2-enedioate http://purl.obolibrary.org/obo/CHEBI_29044 3_STAR
CHEBI:29045 biolink:ChemicalSubstance maleamic acid A dicarboxylic acid monoamide of maleamic acid. CAS:557-24-4|KEGG:C01596|MetaCyc:MALEAMATE|PMID:10742217|PMID:22530095|Reaxys:1721339 phenio.json (2Z)-4-amino-4-oxobut-2-enoic acid|(Z)-3-carbamoyl acrylic acid|(Z)-4-amino-4-oxo-2-butenoic acid|Maleamic acid|maleic monoamide http://purl.obolibrary.org/obo/CHEBI_29045 3_STAR
CHEBI:29052 biolink:ChemicalSubstance D-glyceraldehyde 3-phosphate Beilstein:1725007|CAS:591-57-1|KEGG:C00118|KNApSAcK:C00007564 phenio.json (2R)-2-Hydroxy-3-(phosphonooxy)-propanal|(2R)-2-hydroxy-3-oxopropyl dihydrogen phosphate|D-Glyceraldehyde 3-phosphate|Glyceraldehyde 3-phosphate http://purl.obolibrary.org/obo/CHEBI_29052 3_STAR
CHEBI:29053 biolink:ChemicalSubstance pyridine-3,4-diol CAS:10182-48-6|KEGG:C02932 phenio.json 3,4-Dihydroxypyridine|3,4-dihydroxypyridine|pyridine-3,4-diol http://purl.obolibrary.org/obo/CHEBI_29053 3_STAR
CHEBI:29055 biolink:ChemicalSubstance 3,4-dihydroxyphenylpyruvate A 2-oxo monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 3,4-dihydroxyphenylpyruvic acid. phenio.json 3-(3,4-dihydroxyphenyl)-2-oxopropanoate|3-(3,4-dihydroxyphenyl)pyruvate http://purl.obolibrary.org/obo/CHEBI_29055 3_STAR
CHEBI:29056 biolink:ChemicalSubstance lipid IVA A tetra-acylated lipid A produced by E. coli as an intermediate in the lipid A biosynthetic pathway. Beilstein:4648798|KEGG:C04919|LIPID_MAPS_instance:LMSL01040001 phenio.json 2,3,2'3'-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate|2,3,2'3'-Tetrakis(beta-hydroxymyristoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1,4'-bisphosphate|2-deoxy-6-O-(2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-beta-D-glucopyranosyl)-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-alpha-D-glucopyranose|Lipid A disaccharide bisphosphate|Lipid IV(A)|lipid IVA|lipid IVa http://purl.obolibrary.org/obo/CHEBI_29056 3_STAR
CHEBI:29057 biolink:ChemicalSubstance keratan phenio.json http://purl.obolibrary.org/obo/CHEBI_29057 1_STAR
CHEBI:29060 biolink:ChemicalSubstance alpha-pinene oxide An epoxide of alpha-pinene. CAS:1686-14-2|CAS:72936-74-4|CAS:74525-43-2|Gmelin:1773234|HMDB:HMDB0003667|KEGG:C02759|LIPID_MAPS_instance:LMPR0102120007|MetaCyc:ALPHA-PINENE-OXIDE|PMID:3667521|Patent:RU2235712|Reaxys:80360|UM-BBD_compID:c0679 phenio.json 2,3-epoxypinane|2,7,7-trimethyl-3-oxatricyclo[4.1.1.0(2,4)]octane|2-pinene oxide|alpha-Pinene-oxide|alpha-pinene epoxide|alpha-pinene oxide http://purl.obolibrary.org/obo/CHEBI_29060 3_STAR
CHEBI:29062 biolink:ChemicalSubstance GDP-glucose KEGG:C00394|KEGG:G11108 phenio.json GDP-D-glucose|GDP-alpha-D-glucose http://purl.obolibrary.org/obo/CHEBI_29062 3_STAR
CHEBI:29063 biolink:ChemicalSubstance L-mimosine An L-alpha-amino acid that is propionic acid substituted by an amino group at position 2 and a 3-hydroxy-4-oxopyridin-1(4H)-yl group at position 3 (the 2S-stereoisomer). It a non-protein plant amino acid isolated from Mimosa pudica. CAS:500-44-7|Drug_Central:1811|HMDB:HMDB0015188|KEGG:C04771|KNApSAcK:C00001383|PDBeChem:MMS|PMID:12797899|PMID:15938198|PMID:28661582|Reaxys:86165|Wikipedia:Mimosine phenio.json (2S)-2-amino-3-(3-hydroxy-4-oxopyridin-1(4H)-yl)propanoic acid|(S)-2-Amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate|(S)-2-amino-3-(3-hydroxy-4-oxo-4H-pyridin-1-yl)propanoate|L-Mimosine http://purl.obolibrary.org/obo/CHEBI_29063 3_STAR
CHEBI:29064 biolink:ChemicalSubstance 1,6,6-trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one KEGG:C04718 phenio.json 1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one|1,6,6-trimethyl-2,7-dioxabicyclo-[3.2.2]nonan-3-one|1,6,6-trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one http://purl.obolibrary.org/obo/CHEBI_29064 3_STAR
CHEBI:29065 biolink:ChemicalSubstance N-acetyl-O-acetylneuraminate KEGG:C03708 phenio.json N-acetyl-O-acetylneuraminates http://purl.obolibrary.org/obo/CHEBI_29065 3_STAR
CHEBI:29067 biolink:ChemicalSubstance carboxylic acid anion The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated. phenio.json a carboxylate|carboxylic acid anions|carboxylic anions http://purl.obolibrary.org/obo/CHEBI_29067 3_STAR
CHEBI:29069 biolink:ChemicalSubstance phthalic acid A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions. CAS:88-99-3|DrugBank:DB02746|Gmelin:27343|KEGG:C01606|PDBeChem:PHT|PMID:10682108|PMID:15016950|PMID:16804812|PMID:9838120|Reaxys:608199|Wikipedia:Phthalic_acid phenio.json 1,2-Benzenedicarboxylic acid|PHTHALIC ACID|Phthalic acid|benzene-1,2-dicarboxylic acid|o-benzenedicarboxylic acid|ortho-phthalic acid http://purl.obolibrary.org/obo/CHEBI_29069 3_STAR
CHEBI:29071 biolink:ChemicalSubstance 3-deoxy-D-glycero-hexo-2,5-diulosonate phenio.json (4S)-4,6-dihydroxy-2,5-dioxohexanoate|3-deoxy-D-glycero-2,5-hexodiulosonate|3-deoxy-D-glycero-hexo-2,5-diulosonate http://purl.obolibrary.org/obo/CHEBI_29071 3_STAR
CHEBI:29073 biolink:ChemicalSubstance L-ascorbic acid The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate. BPDB:2405|CAS:50-81-7|DrugBank:DB00126|Drug_Central:4072|Gmelin:4087|HMDB:HMDB0000044|KEGG:C00072|KEGG:D00018|KNApSAcK:C00001179|MetaCyc:ASCORBATE|PDBeChem:ASC|PMID:10799361|PMID:12180551|PMID:12569111|PMID:15917019|PMID:15925292|PMID:15949874|PMID:16425787|PMID:16522902|PMID:16611389|PMID:16725131|PMID:17253561|PMID:17623524|PMID:17636648|PMID:18813862|PMID:19273781|PMID:19580823|PMID:19692922|PMID:22770225|PMID:3015170|PMID:491997|PMID:5477017|PMID:7711198|PMID:8467348|PMID:8726814|PMID:9506998|Reaxys:84272|Wikipedia:Ascorbic_Acid phenio.json (5R)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one|ASCORBIC ACID|Ascoltin|Ascorbic acid|Ascorbicap|Ascorbinsaeure|E 300|E-300|E300|L-(+)-ascorbic acid|L-Ascorbate|L-Ascorbic acid|L-threo-hex-2-enono-1,4-lactone|Vitamin C|acide ascorbique|acido ascorbico|acidum ascorbicum|acidum ascorbinicum|ascorbic acid http://purl.obolibrary.org/obo/CHEBI_29073 3_STAR
CHEBI:29074 biolink:ChemicalSubstance dolichyl palmitate An acyldolichol obtained by formal condensation of the hydroxy group of dolichol with the carboxy group of palmitic (hexadecanoic) acid. CAS:82446-32-0|KEGG:C02536|MetaCyc:CPD-8189|PMID:4095|PMID:7104377|PMID:7374371 phenio.json Dolichol hexadecanoate|Dolichol palmitate|dolichyl hexadecanoate http://purl.obolibrary.org/obo/CHEBI_29074 3_STAR
CHEBI:29075 biolink:ChemicalSubstance mononucleotide KEGG:C02171 phenio.json Mononucleotide|mononucleotides http://purl.obolibrary.org/obo/CHEBI_29075 3_STAR
CHEBI:29076 biolink:ChemicalSubstance 3''-adenylylstreptomycin KEGG:C03462 phenio.json 3''-Adenylylstreptomycin|[3-(5'-adenylyl)-2-deoxy-2-(dimethylamino)-alpha-L-glucopyranosyl]-(1->2)-[5-deoxy-3-C-formyl-alpha-L-lyxofuranosyl]-(1->4)-{N',N'''-[(1,3,5/2,4,6)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine} http://purl.obolibrary.org/obo/CHEBI_29076 3_STAR
CHEBI:29081 biolink:ChemicalSubstance synephrine A phenethylamine alkaloid that is 4-(2-aminoethyl)phenol substituted by a hydroxy group at position 1 and a methyl group at the amino nitrogen. Beilstein:1103010|CAS:94-07-5|Drug_Central:3577|KEGG:C04548|KEGG:D07148|LINCS:LSM-4956|PMID:17675045|PMID:18077120|PMID:23682231|Wikipedia:Synephrine phenio.json (+/-)-Synephrine|1-(4-Hydroxyphenyl)-2-(methylamino)ethanol|1-(4-hydroxyphenyl)-2-(methylamino)ethanol|1-(4-hydroxyphenyl)-2-methylaminoethanol|4-hydroxy-alpha-[(methylamino)methyl]benzenemethanol|Oxedrine|Sympatol|Synephrine|beta-methylamino-alpha-(4-hydroxyphenyl)ethyl alcohol|p-hydroxy-alpha-[(methylamino)methyl]benzyl alcohol http://purl.obolibrary.org/obo/CHEBI_29081 3_STAR
CHEBI:29083 biolink:ChemicalSubstance N-methyl-L-glutamate(1-) An L-alpha-amino acid anion resulting from deprotonation of the carboxy groups and protonation of the secondary amino group of N-methyl-L-glutamic acid. phenio.json (2S)-2-(methylammonio)pentanedioate|N-methyl-L-glutamate|N-methyl-L-glutamate(1-) http://purl.obolibrary.org/obo/CHEBI_29083 3_STAR
CHEBI:29084 biolink:ChemicalSubstance (2->1)-beta-D-fructan A fructan in which the D-fructose building blocks are connected by beta-(2->1) linkages. phenio.json (2,1-beta-D-fructosyl)n http://purl.obolibrary.org/obo/CHEBI_29084 3_STAR
CHEBI:29086 biolink:ChemicalSubstance 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid A seco-androstane that is hexahydro-1H-indene-1,5(4H)-dione which is substituted at the 7a position by a methyl group and at the 4 position by a 1-carboxy-1-hydroxy-4-methyl-5-oxohepta-1,3-dien-7-yl group (the S,S,S-diastereoisomer). KEGG:C04844 phenio.json 3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate|3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid http://purl.obolibrary.org/obo/CHEBI_29086 3_STAR
CHEBI:29089 biolink:ChemicalSubstance 1,2-diacyl-sn-glycerol 3-phosphate An sn-glycerol 3-phosphate compound having unspecified O-acyl groups at the 1- and 2-positions. phenio.json 1,2-diacyl-sn-glycerol 3-phosphates http://purl.obolibrary.org/obo/CHEBI_29089 3_STAR
CHEBI:29090 biolink:ChemicalSubstance D-2-aminohexano-6-lactam Beilstein:471536|KEGG:C05328 phenio.json (3R)-3-aminoazepan-2-one|D-2-Amino-hexano-6-lactam|D-alpha-amino-epsilon-caprolactam http://purl.obolibrary.org/obo/CHEBI_29090 3_STAR
CHEBI:29091 biolink:ChemicalSubstance nocardicin E Beilstein:3598528|CAS:63555-59-9|KEGG:C01739 phenio.json (2R)-{(3S)-3-[(2Z)-2-(hydroxyimino)-2-(4-hydroxyphenyl)acetamido]-2-oxoazetidin-1-yl}(4-hydroxyphenyl)acetic acid http://purl.obolibrary.org/obo/CHEBI_29091 3_STAR
CHEBI:29094 biolink:ChemicalSubstance homoisocitric acid Beilstein:1794431 phenio.json 1-hydroxybutane-1,2,4-tricarboxylic acid|3-carboxy-2-hydroxyadipic acid http://purl.obolibrary.org/obo/CHEBI_29094 3_STAR
CHEBI:29101 biolink:ChemicalSubstance sodium(1+) A monoatomic monocation obtained from sodium. CAS:17341-25-2|Gmelin:15196|KEGG:C01330|PDBeChem:NA phenio.json Na(+)|Na+|SODIUM ION|sodium cation|sodium(1+)|sodium(1+) ion|sodium(I) cation http://purl.obolibrary.org/obo/CHEBI_29101 3_STAR
CHEBI:29103 biolink:ChemicalSubstance potassium(1+) A monoatomic monocation obtained from potassium. CAS:24203-36-9|Gmelin:15203|KEGG:C00238|KEGG:D08403|PDBeChem:K phenio.json K(+)|K+|POTASSIUM ION|potassium cation|potassium(1+)|potassium(1+) ion|potassium(I) cation http://purl.obolibrary.org/obo/CHEBI_29103 3_STAR
CHEBI:29105 biolink:ChemicalSubstance zinc(2+) CAS:23713-49-7|Gmelin:6869|KEGG:C00038|PDBeChem:ZN phenio.json ZINC ION|Zn(2+)|Zn(II)|Zn2+|dietary zinc|zinc cation|zinc(2+)|zinc(2+) ion|zinc(II) cation|zinc, ion (Zn2+) http://purl.obolibrary.org/obo/CHEBI_29105 3_STAR
CHEBI:29107 biolink:ChemicalSubstance 24-methylidenelophenol Beilstein:3655840|KEGG:C11522|LIPID_MAPS_instance:LMST01030100 phenio.json 24-Methylene lophenol|24-methylidenelophenol|4-alpha-Methyl-5-alpha-ergosta-7,24-dien-3-beta-ol|4alpha-methyl-5alpha-ergosta-7,24(28)-dien-3beta-ol http://purl.obolibrary.org/obo/CHEBI_29107 3_STAR
CHEBI:29108 biolink:ChemicalSubstance calcium(2+) CAS:14127-61-8|Gmelin:6850|KEGG:C00076|PDBeChem:CA phenio.json CALCIUM ION|Ca(2+)|Ca2+|calcium(2+)|calcium(2+) ion|calcium(II) cation|calcium, doubly charged positive ion http://purl.obolibrary.org/obo/CHEBI_29108 3_STAR
CHEBI:29109 biolink:ChemicalSubstance (+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol CAS:38947-37-4|KEGG:C04875 phenio.json (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol|(+/-)-5-[(tert-butylaminol)-2'-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol|(+/-)-Dihydrobunolol|5-[rac-3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalen-1-ol|Dihydrobunolol http://purl.obolibrary.org/obo/CHEBI_29109 3_STAR
CHEBI:29110 biolink:ChemicalSubstance (+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one Beilstein:1887243|CAS:27591-01-1|KEGG:C04883 phenio.json (+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone|(+/-)-5-[(tert-butylaminol)-2'-hydroxypropoxy]-3,4-dihydro-1(2H)-naphthalenone|(+/-)-Bunolol|5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one|Bunolol http://purl.obolibrary.org/obo/CHEBI_29110 3_STAR
CHEBI:29111 biolink:ChemicalSubstance alpha-D-GlcpNAc-(1->2)-[alpha-D-Manp-(1->3)]-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-D-Manp A branched amino pentasaccharide consisting of a linear chain of four alpha-linked D-mannose residues, with an N-acetyl glucosamine residue joined to residue 3, also via an alpha-linkage. GlyGen:G15305CQ|GlyTouCan:G15305CQ|KEGG:C04923|KEGG:G07376 phenio.json 1,3-alpha-D-Mannosyl-(1,2-N-acetyl-alpha-D-glucosaminyl)-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannose|2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->2)-[alpha-D-mannopyranosyl-(1->3)]-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-D-mannopyranose|WURCS=2.0/3,5,4/[a1122h-1x_1-5][a1122h-1a_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-2-3-2/a2-b1_b2-c1_c2-d1_c3-e1|alpha-D-Man-(1->3)-[alpha-D-GlcNAc-(1->2)]-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-D-Man http://purl.obolibrary.org/obo/CHEBI_29111 3_STAR
CHEBI:29112 biolink:ChemicalSubstance 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate A deoxyribulose phosphate that is D-ribulose 5-phosphate in which the hydroxy group at position 1 is replaced by a 2-carboxyphenylamino group. CAS:5962-18-5|KEGG:C01302|KNApSAcK:C00007450 phenio.json 1-(2-Carboxyphenylamino)-1'-deoxy-D-ribulose 5'-phosphate|1-(2-carboxyphenylamino)-1-deoxy-D-erythro-pent-2-ulose 5-(dihydrogen phosphate)|1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribulose http://purl.obolibrary.org/obo/CHEBI_29112 3_STAR
CHEBI:29114 biolink:ChemicalSubstance 2,5-diamino-4-hydroxy-6-(5-phosphoribosylamino)pyrimidine KEGG:C01304 phenio.json 1-deoxy-1-[(2,5-diamino-6-hydroxypyrimidin-3-yl)amino]-beta-D-ribofuranose 5-(dihydrogen phosphate)|2,5-Diamino-6-hydroxy-4-(5'-phosphoribosylamino)-pyrimidine|2,5-diamino-6-hydroxy-4-(5-phosphoribosylamino)pyrimidine|N-(2,5-diamino-6-hydroxypyrimidin-4-yl)-5-O-phosphono-beta-D-ribofuranosylamine http://purl.obolibrary.org/obo/CHEBI_29114 3_STAR
CHEBI:29115 biolink:ChemicalSubstance 5-hydroxyuracil CAS:496-76-4 phenio.json 5-hydroxypyrimidine-2,4(1H,3H)-dione|Dihydropyrimidine-2,4,5(3H)-trione|Isobarbituric acid http://purl.obolibrary.org/obo/CHEBI_29115 3_STAR
CHEBI:29117 biolink:ChemicalSubstance 6-dehydrotestosterone A 17beta-hydroxy steroid that is testosterone that contains an additional double bond between positions 6 and 7. CAS:2484-30-2 phenio.json 17beta-hydroxyandrosta-4,6-dien-3-one|6,7-didehydrotestosterone|6-Dehydrotestosterone http://purl.obolibrary.org/obo/CHEBI_29117 3_STAR
CHEBI:29118 biolink:ChemicalSubstance methanophenazine Beilstein:8741237|KEGG:C11903 phenio.json 2-(2,3-Dihydro-all-trans-pentaprenyloxy)phenazine|2-(2,3-Dihydro-all-trans-tetraprenyloxy)phenazine|2-(2,3-Dihydropentaprenyloxy)phenazine|2-[(6E,10E,14E)-3,7,11,15,19-pentamethylicosa-6,10,14,18-tetraen-1-yloxy]phenazine|Methanophenazine|methanophenazine http://purl.obolibrary.org/obo/CHEBI_29118 3_STAR
CHEBI:29119 biolink:ChemicalSubstance (2E,4Z)-deca-2,4-dienoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2-trans,4-cis)-deca-2,4-dienoic acid. PMID:2332510 phenio.json (2-trans,4-cis)-deca-2,4-dienoyl-coenzyme A|(2E,4Z)-decadienoyl-CoA|(2t,4c)-deca-2,4-dienoyl-CoA|2-trans-4-cis-decadienoyl-CoA|2-trans-4-cis-decadienoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(2R)-4-({3-[(2-{[(2E,4Z)-deca-2,4-dienoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_29119 3_STAR
CHEBI:29120 biolink:ChemicalSubstance oxidonitrogen(1+) A monovalent inorganic cation resulting from the removal of the unpaired electron from nitric oxide. CAS:14452-93-8|Gmelin:456|MolBase:934|PMID:14998536|PMID:15531583|PMID:16526748|PMID:22741609|Reaxys:3587265 phenio.json NO(+)|Nitrogen oxide cation|Nitrosyl ion|[NO](+)|nitric oxide(1+)|nitrilooxonium|nitrosonium|nitrosonium ion|oxidonitrogen(+)|oxidonitrogen(1+) http://purl.obolibrary.org/obo/CHEBI_29120 3_STAR
CHEBI:29123 biolink:ChemicalSubstance 2-acetamido-5-oxopentanoate KEGG:C01250 phenio.json (2S)-2-acetamido-5-oxopentanoate|2-Acetamido-5-oxopentanoate|2-acetamido-5-oxovalerate|N-Acetyl-L-glutamate 5-semialdehyde|N-acetyl-L-glutamate 5-semialdehyde http://purl.obolibrary.org/obo/CHEBI_29123 3_STAR
CHEBI:29125 biolink:ChemicalSubstance arsenate(3-) An arsenate ion resulting from the removal of three protons from arsenic acid. CAS:15584-04-0|Gmelin:2291|KEGG:C11215|MetaCyc:ARSENATE|PDBeChem:ART|Reaxys:3661213|UM-BBD_compID:c0540 phenio.json ARSENATE|Arsenate|Arsenate ion|AsO4(3-)|[AsO4](3-)|arsenate|arsorate|tetraoxidoarsenate(3-)|tetraoxoarsenate(3-)|tetraoxoarsenate(V) http://purl.obolibrary.org/obo/CHEBI_29125 3_STAR
CHEBI:29126 biolink:ChemicalSubstance trans-dec-3-enoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-dec-3-enoic acid. HMDB:HMDB0002137|Reaxys:11165738 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3E)-dec-3-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-trans-decenoyl-CoA|3-trans-decenoyl-coenzyme A|trans-3-decenoyl-CoA|trans-3-decenoyl-coenzyme A|trans-dec-3-enoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_29126 3_STAR
CHEBI:29127 biolink:ChemicalSubstance cytosine glycol CAS:13484-98-5 phenio.json 4-amino-5,6-dihydroxy-5,6-dihydropyrimidin-2(1H)-one|cytosine glycol http://purl.obolibrary.org/obo/CHEBI_29127 3_STAR
CHEBI:29128 biolink:ChemicalSubstance thymine glycol CAS:2943-56-8 phenio.json 5,6-dihydroxy-5-methyldihydropyrimidine-2,4(1H,3H)-dione|thymine glycol http://purl.obolibrary.org/obo/CHEBI_29128 3_STAR
CHEBI:29129 biolink:ChemicalSubstance 2-chlorooxirane CAS:7763-77-1 phenio.json 1-Chlorooxirane|2-Chlorooxirane|2-chlorooxirane|Chloroepoxyethane|Chloroethylene oxide|Chlorooxirane|Monochloroethylene oxide http://purl.obolibrary.org/obo/CHEBI_29129 3_STAR
CHEBI:29132 biolink:ChemicalSubstance N-acetyl-1,4-benzoquinone imine Beilstein:2435621|CAS:50700-49-7 phenio.json 4-Acetylimino-2,5-cyclohexadien-1-one|Acetimidoquinone|N-(4-oxocyclohexa-2,5-dien-1-ylidene)acetamide|N-Acetyl-4-benzoquinoneimine|N-acetyl-p-benzoquinone imine|N-acetylbenzoquinoneimine|NAPQI http://purl.obolibrary.org/obo/CHEBI_29132 3_STAR
CHEBI:29133 biolink:ChemicalSubstance dextrorphan Beilstein:88093|CAS:125-73-5|LINCS:LSM-36603 phenio.json (+)-3-hydroxy-N-methylmorphinan|17-methyl-9alpha,13alpha,14alpha-morphinan-3-ol|d-3-hydroxy-N-methylmorphinan|dextrorphan|dextrorphane|dextrorphanum http://purl.obolibrary.org/obo/CHEBI_29133 3_STAR
CHEBI:291342 biolink:ChemicalSubstance desloratadine Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness. Beilstein:4263164|CAS:100643-71-8|DrugBank:DB00967|Drug_Central:814|KEGG:D03693|LINCS:LSM-5887|PMID:11844681|PMID:15482930|PMID:9934454|Patent:EP208855|Patent:US4659716|Wikipedia:Desloratadine phenio.json 8-Chloro-11-piperidin-4-ylidene-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine|8-chloro-11-(piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine|8-chloro-6,11-dihydro-11-(4-piperidinylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine|DESLORATADINE|descarboethoxyloratadine|desloratadine http://purl.obolibrary.org/obo/CHEBI_291342 3_STAR
CHEBI:29138 biolink:ChemicalSubstance trifluoroacetyl chloride Beilstein:1098994|CAS:354-32-5 phenio.json 2,2,2-trifluoroacetyl chloride|CF3COCl|perfluoroacetyl chloride|trifluoroacetyl chloride http://purl.obolibrary.org/obo/CHEBI_29138 3_STAR
CHEBI:2914 biolink:ChemicalSubstance atracurium A diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups. Beilstein:1523633|CAS:64228-79-1|DrugBank:DB00732|Drug_Central:259|KEGG:C07548|LINCS:LSM-5147|PMID:11123992|PMID:15225721|Wikipedia:Atracurium phenio.json 1-[(3,4-dimethoxyphenyl)methyl]-2-[3-({5-[(3-{1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl}propanoyl)oxy]pentyl}oxy)-3-oxopropyl]-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium|2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium]|ATRACURIUM|Atracurium http://purl.obolibrary.org/obo/CHEBI_2914 3_STAR
CHEBI:29140 biolink:ChemicalSubstance cis-dec-4-enoyl-CoA An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cis-dec-4-enoic acid. CAS:69281-30-7|HMDB:HMDB0002145|PMID:2604702|PMID:8439301 phenio.json 10:1(n-6)-CoA|3'-phosphoadenosine 5'-{3-[4-({3-[(2-{[(4Z)-dec-4-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|4Z-decenoyl-CoA|4Z-decenoyl-coenzyme A|C10:1(n-6)-CoA|Z-dec-4-enoyl-CoA|Z-dec-4-enoyl-coenzyme A|cis-4-decenoyl-CoA|cis-4-decenoyl-coenzyme A|cis-dec-4-enoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_29140 3_STAR
CHEBI:29145 biolink:ChemicalSubstance 2,6-diamino-5-formamido-4-hydroxypyrimidine CAS:133310-38-0 phenio.json 2,6-Diamino-4-hydroxy-5-formamidopyrimidine|2,6-Diamino-4-oxo-5-formamidopyrimidine|N-(2,6-diamino-4-oxo-4,5-dihydropyrimidin-5-yl)formamide http://purl.obolibrary.org/obo/CHEBI_29145 3_STAR
CHEBI:29146 biolink:ChemicalSubstance 1H-imidazo[2,1-i]purine CAS:13875-63-3|DrugBank:DB01952 phenio.json 1,N(6)-ethenoadenine|1H-imidazo[2,1-i]purine|ethenoadenine http://purl.obolibrary.org/obo/CHEBI_29146 3_STAR
CHEBI:29147 biolink:ChemicalSubstance 3,N(4)-ethenocytosine Beilstein:607434|CAS:55662-66-3 phenio.json 3,N(4)-Ethanocytosine|ethenocytosine|imidazo[1,2-c]pyrimidin-5(6H)-one http://purl.obolibrary.org/obo/CHEBI_29147 3_STAR
CHEBI:29148 biolink:ChemicalSubstance benzene-1,2,4-triamine Beilstein:636836|CAS:615-71-4|Gmelin:959244 phenio.json 1,2,4-triaminobenzene|1,3,4-benzenetriamine|1,3,4-triaminobenzene|benzene-1,2,4-triamine|benzene-1,2,4-triyltriamine http://purl.obolibrary.org/obo/CHEBI_29148 3_STAR
CHEBI:29152 biolink:ChemicalSubstance Cys-tRNA(Cys) KEGG:C03125 phenio.json Cys-tRNA(Cys)|L-Cysteinyl-tRNA(Cys) http://purl.obolibrary.org/obo/CHEBI_29152 3_STAR
CHEBI:29153 biolink:ChemicalSubstance Phe-tRNA(Phe) KEGG:C03511 phenio.json L-Phenylalanyl-tRNA(Phe)|Phe-tRNA(Phe) http://purl.obolibrary.org/obo/CHEBI_29153 3_STAR
CHEBI:29154 biolink:ChemicalSubstance Pro-tRNA(Pro) KEGG:C02702 phenio.json L-Prolyl-tRNA(Pro)|Pro-tRNA(Pro) http://purl.obolibrary.org/obo/CHEBI_29154 3_STAR
CHEBI:29155 biolink:ChemicalSubstance His-tRNA(His) KEGG:C02988 phenio.json His-tRNA(His)|L-Histidyl-tRNA(His) http://purl.obolibrary.org/obo/CHEBI_29155 3_STAR
CHEBI:29156 biolink:ChemicalSubstance Gly-tRNA(Gly) KEGG:C02412 phenio.json Gly-tRNA(Gly)|Glycyl-tRNA(Gly) http://purl.obolibrary.org/obo/CHEBI_29156 3_STAR
CHEBI:29157 biolink:ChemicalSubstance Glu-tRNA(Glu) KEGG:C02987 phenio.json Glu-tRNA(Glu)|L-Glutamyl-tRNA(Glu)|L-glutamyl-tRNA(Glu) http://purl.obolibrary.org/obo/CHEBI_29157 3_STAR
CHEBI:29158 biolink:ChemicalSubstance Asp-tRNA(Asp) KEGG:C02984 phenio.json Asp-tRNA(Asp)|L-Aspartyl-tRNA(Asp) http://purl.obolibrary.org/obo/CHEBI_29158 3_STAR
CHEBI:29159 biolink:ChemicalSubstance Trp-tRNA(Trp) KEGG:C03512 phenio.json L-Tryptophanyl-tRNA(Trp)|Trp-tRNA(Trp) http://purl.obolibrary.org/obo/CHEBI_29159 3_STAR
CHEBI:29160 biolink:ChemicalSubstance Ile-tRNA(Ile) KEGG:C03127 phenio.json Ile-tRNA(Ile)|L-Isoleucyl-tRNA(Ile) http://purl.obolibrary.org/obo/CHEBI_29160 3_STAR
CHEBI:29161 biolink:ChemicalSubstance Tyr-tRNA(Tyr) KEGG:C02839 phenio.json L-Tyrosyl-tRNA(Tyr)|Tyr-tRNA(Tyr) http://purl.obolibrary.org/obo/CHEBI_29161 3_STAR
CHEBI:29162 biolink:ChemicalSubstance Ser-tRNA(Ser) KEGG:C02553 phenio.json L-Seryl-tRNA(Ser)|Ser-tRNA(Ser) http://purl.obolibrary.org/obo/CHEBI_29162 3_STAR
CHEBI:29163 biolink:ChemicalSubstance Thr-tRNA(Thr) KEGG:C02992 phenio.json L-Threonyl-tRNA(Thr)|Thr-tRNA(Thr) http://purl.obolibrary.org/obo/CHEBI_29163 3_STAR
CHEBI:29164 biolink:ChemicalSubstance Val-tRNA(Val) KEGG:C02554 phenio.json L-Valyl-tRNA(Val)|Val-tRNA(Val) http://purl.obolibrary.org/obo/CHEBI_29164 3_STAR
CHEBI:29166 biolink:ChemicalSubstance Gln-tRNA(Gln) KEGG:C02282 phenio.json Gln-tRNA(Gln)|Glutaminyl-tRNA|Glutaminyl-tRNA(Gln)|L-Glutaminyl-tRNA(Gln) http://purl.obolibrary.org/obo/CHEBI_29166 3_STAR
CHEBI:29167 biolink:ChemicalSubstance tRNA(Cys) KEGG:C01639 phenio.json cysteine tRNA|tRNA(Cys)|transfer RNA-Cys http://purl.obolibrary.org/obo/CHEBI_29167 3_STAR
CHEBI:29168 biolink:ChemicalSubstance tRNA(Gln) KEGG:C01640 phenio.json glutamine tRNA|tRNA(Gln)|transfer RNA-Gln http://purl.obolibrary.org/obo/CHEBI_29168 3_STAR
CHEBI:29169 biolink:ChemicalSubstance tRNA(Leu) KEGG:C01645 phenio.json leucine tRNA|tRNA(Leu)|transfer RNA-Leu http://purl.obolibrary.org/obo/CHEBI_29169 3_STAR
CHEBI:29170 biolink:ChemicalSubstance tRNA(Ala) KEGG:C01635 phenio.json alanine tRNA|tRNA(Ala)|transfer RNA-Ala http://purl.obolibrary.org/obo/CHEBI_29170 3_STAR
CHEBI:29171 biolink:ChemicalSubstance tRNA(Arg) KEGG:C01636 phenio.json arginine tRNA|tRNA(Arg)|transfer RNA-Arg http://purl.obolibrary.org/obo/CHEBI_29171 3_STAR
CHEBI:29172 biolink:ChemicalSubstance tRNA(Asn) KEGG:C01637 phenio.json asparagine tRNA|tRNA(Asn)|transfer RNA-Asn http://purl.obolibrary.org/obo/CHEBI_29172 3_STAR
CHEBI:29173 biolink:ChemicalSubstance tRNA(Met) KEGG:C01647 phenio.json methionine tRNA|tRNA(Met)|transfer RNA-Met http://purl.obolibrary.org/obo/CHEBI_29173 3_STAR
CHEBI:29174 biolink:ChemicalSubstance tRNA(Ile) KEGG:C01644 phenio.json isoleucine tRNA|tRNA(Ile)|transfer RNA-Ile http://purl.obolibrary.org/obo/CHEBI_29174 3_STAR
CHEBI:29175 biolink:ChemicalSubstance tRNA(Glu) KEGG:C01641 phenio.json glutamic acid tRNA|tRNA(Glu)|transfer RNA-Glu http://purl.obolibrary.org/obo/CHEBI_29175 3_STAR
CHEBI:29176 biolink:ChemicalSubstance tRNA(Gly) KEGG:C01642 phenio.json glycine tRNA|tRNA(Gly)|transfer RNA-Gly http://purl.obolibrary.org/obo/CHEBI_29176 3_STAR
CHEBI:29177 biolink:ChemicalSubstance tRNA(Pro) KEGG:C01649 phenio.json proline tRNA|tRNA(Pro)|transfer RNA-Pro http://purl.obolibrary.org/obo/CHEBI_29177 3_STAR
CHEBI:29178 biolink:ChemicalSubstance tRNA(His) KEGG:C01643 phenio.json histidine tRNA|tRNA(His)|transfer RNA-His http://purl.obolibrary.org/obo/CHEBI_29178 3_STAR
CHEBI:29179 biolink:ChemicalSubstance tRNA(Ser) KEGG:C01650 phenio.json serine tRNA|tRNA(Ser)|transfer RNA-Ser http://purl.obolibrary.org/obo/CHEBI_29179 3_STAR
CHEBI:29180 biolink:ChemicalSubstance tRNA(Thr) KEGG:C01651 phenio.json tRNA(Thr)|threonine tRNA|transfer RNA-Thr http://purl.obolibrary.org/obo/CHEBI_29180 3_STAR
CHEBI:29181 biolink:ChemicalSubstance tRNA(Trp) KEGG:C01652 phenio.json tRNA(Trp)|transfer RNA-Trp|tryptophan tRNA http://purl.obolibrary.org/obo/CHEBI_29181 3_STAR
CHEBI:29182 biolink:ChemicalSubstance tRNA(Tyr) KEGG:C00787 phenio.json tRNA(Tyr)|transfer RNA-Tyr|tyrosine tRNA http://purl.obolibrary.org/obo/CHEBI_29182 3_STAR
CHEBI:29183 biolink:ChemicalSubstance tRNA(Val) KEGG:C01653 phenio.json tRNA(Val)|transfer RNA-Val|valine tRNA http://purl.obolibrary.org/obo/CHEBI_29183 3_STAR
CHEBI:29184 biolink:ChemicalSubstance tRNA(Phe) KEGG:C01648|PDB:1EHZ phenio.json phenylalanine tRNA|tRNA(Phe)|transfer RNA-Phe http://purl.obolibrary.org/obo/CHEBI_29184 3_STAR
CHEBI:29185 biolink:ChemicalSubstance tRNA(Lys) KEGG:C01646 phenio.json lysine tRNA|tRNA(Lys)|transfer RNA-Lys http://purl.obolibrary.org/obo/CHEBI_29185 3_STAR
CHEBI:29186 biolink:ChemicalSubstance tRNA(Asp) KEGG:C01638|PDB:3TRA phenio.json aspartic acid tRNA|tRNA(Asp)|transfer RNA-Asp http://purl.obolibrary.org/obo/CHEBI_29186 3_STAR
CHEBI:291902 biolink:ChemicalSubstance eptifibatide A synthetic homodetic cyclic peptide comprising N(alpha)-(3-sulfanylpropanoyl)homoarginyl, glycyl, aspartyl, tryptophyl, prolyl and cysteinamide residues connected in sequence and cyclised via a disulfide bond. Derived from a protein found in the venom of the southeastern pygmy rattlesnake, Sistrurus miliarus barbouri, eptifibatide is an anti-coagulant that inhibits platelet aggregation by selectively blocking the platelet glycoprotein IIb/IIIa receptor, so preventing the binding of fibrinogen, von Willebrand factor, and other adhesive ligands. It is used in the management of unstable angina and in patients undergoing coronary angioplasty and stenting procedures. Beilstein:9608167|CAS:188627-80-7|DrugBank:DB00063|Drug_Central:1040|KEGG:D06888|Patent:US5686570|Wikipedia:Eptifibatide phenio.json EPTIFIBATIDE|N(6)-amidino-N(2)-(3-mercaptopropionyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-L-cysteinamide, cyclic(1-6)-disulfide|S(1),S(6)-cyclo[N(6)-carbamimidoyl-N(2)-(3-sulfanylpropanoyl)-L-lysylglycyl-L-alpha-aspartyl-L-tryptophyl-L-prolyl-L-cysteinamide]|[(3R,11S,17S,20S,25aS)-11-(4-carbamimidamidobutyl)-3-carbamoyl-20-(1H-indol-3-ylmethyl)-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2,5,8,11,14,17,20]dithiahexaazacyclotricosin-17-yl]acetic acid http://purl.obolibrary.org/obo/CHEBI_291902 3_STAR
CHEBI:29191 biolink:ChemicalSubstance hydroxyl CAS:3352-57-6|Gmelin:105|KEGG:C16844 phenio.json (OH)(.)|HO(.)|Hydrogen oxide|hydridooxygen(.)|hydroxyl|hydroxyl radical|oxidanyl http://purl.obolibrary.org/obo/CHEBI_29191 3_STAR
CHEBI:29192 biolink:ChemicalSubstance hydrogenperoxide(1-) CAS:14691-59-9|Gmelin:507 phenio.json HO2(-)|HOO anion|HOO(-)|[HO2](-)|dioxidanide|hydrogen(peroxide)(1-)|hydrogendioxide(1-)|hydrogenperoxide(1-) http://purl.obolibrary.org/obo/CHEBI_29192 3_STAR
CHEBI:29195 biolink:ChemicalSubstance cyanate CAS:661-20-1|CAS:71000-82-3|FooDB:FDB022835|HMDB:HMDB0002078|KEGG:C01417|MetaCyc:CPD-69|PMID:8323034|UM-BBD_compID:c0568 phenio.json Cyanat|OCN(-)|Zyanat|[C(N)O](-)|cyanate|cyanate ion|nitridooxidocarbonate(1-) http://purl.obolibrary.org/obo/CHEBI_29195 3_STAR
CHEBI:29198 biolink:ChemicalSubstance phosphinate A phosphorus oxoanion resulting from the removal of a proton from the hydroxy group of phosphinic acid. Gmelin:1070|MetaCyc:CPD-27|Wikipedia:Hypophosphite phenio.json PH2O2(-)|[PH2O2](-)|dihydridodioxidophosphate(1-)|dihydridodioxophosphate(1-)|hypophosphite|phosphinate http://purl.obolibrary.org/obo/CHEBI_29198 3_STAR
CHEBI:29200 biolink:ChemicalSubstance thiocyanic acid A hydracid that is cyanic acid in which the oxygen is replaced by a sulfur atom. CAS:463-56-9|Gmelin:25178|KEGG:C01755|PDBeChem:SCN phenio.json HS-C#N|HSCN|N#C-SH|Thiocyanic acid|[C(N)(SH)]|[CN(SH)]|nitridosulfanidocarbon|thiocyanic acid http://purl.obolibrary.org/obo/CHEBI_29200 3_STAR
CHEBI:29202 biolink:ChemicalSubstance isocyanic acid A colourless, volatile, poisonous inorganic compound with the formula HNCO; the simplest stable chemical compound that contains carbon, hydrogen, nitrogen, and oxygen, the four most commonly-found elements in organic chemistry and biology. CAS:75-13-8|Gmelin:840|PMID:19494520|PMID:26124058|PMID:26760716|PMID:977566|Reaxys:1616281 phenio.json HN=C=O|HNCO|ICA|[C(NH)O]|carbimide|hydrogen isocyanate|isocyanate|isocyanic acid|isocyansaeure|isozyansaeure|methenamide|oxidoazanediidocarbon http://purl.obolibrary.org/obo/CHEBI_29202 3_STAR
CHEBI:29210 biolink:ChemicalSubstance trithionic acid CAS:27621-39-2|Gmelin:217937 phenio.json 1,5-dihydrido-2,2,4,4-tetraoxido-1,5-dioxy-2,3,4-trisulfy-[5]catena|H2S3O6|Trithionsaeure|[(HO)(O)2SSS(O)2(OH)]|trithionic acid http://purl.obolibrary.org/obo/CHEBI_29210 3_STAR
CHEBI:29213 biolink:ChemicalSubstance sulfinic acid Gmelin:404610 phenio.json HSHO2|[SHO(OH)]|hydridohydroxidooxidosulfur|sulfinic acid http://purl.obolibrary.org/obo/CHEBI_29213 3_STAR
CHEBI:29214 biolink:ChemicalSubstance sulfonic acid Gmelin:1404640 phenio.json HSHO3|Sulfonsaeure|[SHO2(OH)]|acide sulfonique|hydridohydroxidodioxidosulfur|sulfonic acid|sulphonic acid http://purl.obolibrary.org/obo/CHEBI_29214 3_STAR
CHEBI:29216 biolink:ChemicalSubstance 3-hydroxy-2-methylquinolin-4(1H)-one A quinolin-4-one having methyl and hydroxy substituents at the 2- and 3-positions respectively. KEGG:C11504|PDBeChem:HQD phenio.json 3-Hydroxy-2-methyl-1H-quinolin-4-one|3-hydroxy-2-methyl-1H-quinolin-4-one|3-hydroxy-2-methylquinolin-4(1H)-one http://purl.obolibrary.org/obo/CHEBI_29216 3_STAR
CHEBI:29217 biolink:ChemicalSubstance selenonic acid phenio.json [SeHO2(OH)]|hydridohydroxidodioxidoselenium|selenonic acid http://purl.obolibrary.org/obo/CHEBI_29217 3_STAR
CHEBI:29218 biolink:ChemicalSubstance seleninic acid phenio.json HSeHO2|[SeHO(OH)]|hydridohydroxidooxidoselenium|seleninic acid http://purl.obolibrary.org/obo/CHEBI_29218 3_STAR
CHEBI:29219 biolink:ChemicalSubstance chlorous acid CAS:13898-47-0|Gmelin:1267|KEGG:C01486 phenio.json Chlorite|HClO2|HOClO|[ClO(OH)]|chlorige Saeure|chlorous acid|hydroxidooxidochlorine http://purl.obolibrary.org/obo/CHEBI_29219 3_STAR
CHEBI:2922 biolink:ChemicalSubstance auranofin An S-glycosyl compound consisting of 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranose with the sufur atom coordinated to (triethylphosphoranylidene)gold. It is administered orally for the treatment of active progressive rheumatoid arthritis. Beilstein:8187029|CAS:34031-32-8|DrugBank:DB00995|Gmelin:112479|Gmelin:294107|KEGG:D00237|PMID:10796461|PMID:11071118|PMID:16036347|PMID:17645497|PMID:18409052|PMID:18789312|PMID:20127591|PMID:22610278|PMID:2656613|PMID:6426843|PMID:6426923|PMID:9189058|Patent:DE2051495|Patent:US3635945|Reaxys:11644694|Reaxys:14401468|Wikipedia:Auranofin phenio.json (1-Thio-beta-D-glucopyranosato)(triethylphosphine)gold 2,3,4,6-tetraacetate|(2,3,4,6-tetra-O-acetyl-1-thio-beta-D-glucopyranosato-kappaS(1))(triethylphosphine)gold|2,3,4,6-Tetra-O-acetyl-1-thio-beta-D-glucopyranosato-S (triethylphosphine)gold|Ridaura|Triethylphosphine gold|auranofin|auranofina|auranofine|auranofinum http://purl.obolibrary.org/obo/CHEBI_2922 3_STAR
CHEBI:29222 biolink:ChemicalSubstance hypochlorite CAS:14380-61-1|Gmelin:682|Wikipedia:Hypochlorite phenio.json ClO(-)|Hypochlorit|[ClO](-)|hypochlorite|oxidochlorate(1-) http://purl.obolibrary.org/obo/CHEBI_29222 3_STAR
CHEBI:29228 biolink:ChemicalSubstance hydrogen fluoride A diatomic molecule containing covalently bonded hydrogen and fluorine atoms. CAS:7664-39-3|Drug_Central:4499|Gmelin:166|KEGG:C16487 phenio.json Fluoride|Fluorwasserstoff|HF|Hydrogen fluoride|Hydrogenfluorid|[HF]|fluorane|fluoridohydrogen|fluorure d'hydrogene|hydrofluoric acid|hydrogen fluoride http://purl.obolibrary.org/obo/CHEBI_29228 3_STAR
CHEBI:29241 biolink:ChemicalSubstance silicate(4-) CAS:17181-37-2|Gmelin:2005|MolBase:1838 phenio.json Orthosilikat|SiO4(4-)|Silikat|[SiO4](4-)|orthosilicate|silicate|tetraoxidosilicate(4-) http://purl.obolibrary.org/obo/CHEBI_29241 3_STAR
CHEBI:29242 biolink:ChemicalSubstance arsenite(1-) An arsenite ion resulting from the removal of a proton from one of the hydroxy groups of arsenous acid. phenio.json H2AsO3(-)|[AsO(OH)2](-)|arsenite|dihydrogen arsenite|dihydroxidooxidoarsenate(1-) http://purl.obolibrary.org/obo/CHEBI_29242 3_STAR
CHEBI:29243 biolink:ChemicalSubstance arsenite(2-) An arsenite ion resulting from the removal of a proton from two of the hydroxy groups of arsenous acid. phenio.json HAsO3(2-)|[AsO2(OH)](2-)|hydrogen arsenite|hydroxidodioxidoarsenate(2-) http://purl.obolibrary.org/obo/CHEBI_29243 3_STAR
CHEBI:29254 biolink:ChemicalSubstance dihydrogenborate Gmelin:49252 phenio.json H2BO3(-)|[BO(OH)2](-)|dihydrogen(trioxidoborate)(1-)|dihydrogenborate|dihydroxidooxidoborate(1-) http://purl.obolibrary.org/obo/CHEBI_29254 3_STAR
CHEBI:29255 biolink:ChemicalSubstance hydrogenborate Gmelin:674511 phenio.json HBO3(2-)|[BO2(OH)](2-)|hydrogen(trioxidoborate)(2-)|hydrogenborate|hydroxidodioxidoborate(2-) http://purl.obolibrary.org/obo/CHEBI_29255 3_STAR
CHEBI:29256 biolink:ChemicalSubstance thiol An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety. KEGG:C00145|Wikipedia:Thiol phenio.json Mercaptan|Merkaptan|RSH|Thiol|a thiol|mercaptans|thiols http://purl.obolibrary.org/obo/CHEBI_29256 3_STAR
CHEBI:29258 biolink:ChemicalSubstance dihydrogenphosphite A monovalent inorganic anion obtained by deprotonation of phosphorous acid. Gmelin:558293 phenio.json H2PO3(-)|[PO(OH)2] (-)|dihydrogen phosphite|dihydrogen(trioxidophosphate)(1-)|dihydrogenphosphite|dihydroxidooxidophosphate(1-) http://purl.obolibrary.org/obo/CHEBI_29258 3_STAR
CHEBI:29259 biolink:ChemicalSubstance hydrogenphosphite A divalent inorganic anion resulting from the removal of a proton from two of the hydroxy groups of phosphorous acid. Gmelin:323302 phenio.json HPO3(2-)|[PO2(OH)](2-)|hydrogen phosphite|hydrogen(trioxidophosphate)(2-)|hydrogenphosphite|hydroxidodioxidophosphate(2-) http://purl.obolibrary.org/obo/CHEBI_29259 3_STAR
CHEBI:29264 biolink:ChemicalSubstance tRNA(Sec) phenio.json http://purl.obolibrary.org/obo/CHEBI_29264 3_STAR
CHEBI:29265 biolink:ChemicalSubstance Asn-tRNA(Asn) KEGG:C03402 phenio.json Asn-tRNA(Asn)|Asparaginyl-tRNA(Asn)|L-Asparaginyl-tRNA(Asn) http://purl.obolibrary.org/obo/CHEBI_29265 3_STAR
CHEBI:29277 biolink:ChemicalSubstance dinitride(2-) Gmelin:1565041 phenio.json N2(2-)|diazenediide|dinitride(2-) http://purl.obolibrary.org/obo/CHEBI_29277 3_STAR
CHEBI:29278 biolink:ChemicalSubstance dinitride(4-) phenio.json N2(4-)|diazanetetraide|dinitride(4-) http://purl.obolibrary.org/obo/CHEBI_29278 3_STAR
CHEBI:29279 biolink:ChemicalSubstance sulfurothioic O-acid Gmelin:239831 phenio.json [SO(OH)2S]|dihydroxidooxidosulfidosulfur|sulfurothioic O-acid http://purl.obolibrary.org/obo/CHEBI_29279 3_STAR
CHEBI:29281 biolink:ChemicalSubstance alkyl sulfate phenio.json alkyl sulfates http://purl.obolibrary.org/obo/CHEBI_29281 3_STAR
CHEBI:29287 biolink:ChemicalSubstance gold atom CAS:7440-57-5|WebElements:Au phenio.json 79Au|Au|Gold|aurum|gold|or|oro http://purl.obolibrary.org/obo/CHEBI_29287 3_STAR
CHEBI:29289 biolink:ChemicalSubstance S-alkyl thiosulfate An organic thiosulfate compound having an S-alkyl substituent. KEGG:C02885 phenio.json S-Alkyl thiosulfate|S-alkyl thiosulfates http://purl.obolibrary.org/obo/CHEBI_29289 3_STAR
CHEBI:2930 biolink:ChemicalSubstance Aurothioglucose CAS:12192-57-3|KEGG:C08193|KEGG:D00991 phenio.json Aurothioglucose http://purl.obolibrary.org/obo/CHEBI_2930 2_STAR
CHEBI:29317 biolink:ChemicalSubstance selanide Gmelin:773467 phenio.json HSe(-)|hydrogen(selenide)(1-)|hydrogenselenide|selanide http://purl.obolibrary.org/obo/CHEBI_29317 3_STAR
CHEBI:29321 biolink:ChemicalSubstance sodium nitroprusside An organic sodium salt that is the disodium salt of nitroprusside. CAS:14402-89-2|PMID:25425768 phenio.json Na2[Fe(CN)5(NO)]|Sodium nitroprusside anhydrous|disodium pentacyanidonitrosylferrate|sodium pentacyanidonitrosylferrate(2-)|sodium pentacyanidonitrosylferrate(III) http://purl.obolibrary.org/obo/CHEBI_29321 3_STAR
CHEBI:29323 biolink:ChemicalSubstance methylazoxymethanol CAS:590-96-5|KEGG:C02390 phenio.json (methyl-ONN-azoxy)methanol|CH3-N(O)=N-CH2OH|Methylazoxymethanol|methylazoxymethanol http://purl.obolibrary.org/obo/CHEBI_29323 3_STAR
CHEBI:29337 biolink:ChemicalSubstance azanide phenio.json NH2(-)|amide|azanide|dihydridonitrate(1-) http://purl.obolibrary.org/obo/CHEBI_29337 3_STAR
CHEBI:29340 biolink:ChemicalSubstance hydridonitrate(2-) A divalent inorganic anion resulting from the removal of two protons from ammonia. phenio.json NH(2-)|azanediide|hydridonitrate(2-)|imide http://purl.obolibrary.org/obo/CHEBI_29340 3_STAR
CHEBI:29347 biolink:ChemicalSubstance monocarboxylic acid amide A carboxamide derived from a monocarboxylic acid. phenio.json monocarboxylic acid amides http://purl.obolibrary.org/obo/CHEBI_29347 3_STAR
CHEBI:29348 biolink:ChemicalSubstance fatty amide A monocarboxylic acid amide derived from a fatty acid. KEGG:C02244|LIPID_MAPS_class:LMFA08 phenio.json Aliphatic amide|fatty amide|fatty amides http://purl.obolibrary.org/obo/CHEBI_29348 3_STAR
CHEBI:29360 biolink:ChemicalSubstance methanediide Beilstein:5915711|Gmelin:322698 phenio.json CH2(2-)|[CH2](2-)|dihydridocarbonate(2-)|methanediide http://purl.obolibrary.org/obo/CHEBI_29360 3_STAR
CHEBI:29369 biolink:ChemicalSubstance peroxy group phenio.json -OO-|peroxy http://purl.obolibrary.org/obo/CHEBI_29369 3_STAR
CHEBI:29377 biolink:ChemicalSubstance sodium carbonate CAS:497-19-8|PPDB:594 phenio.json Na2CO3|Natriumkarbonat|disodium carbonate|disodium trioxidocarbonate|sodium carbonate http://purl.obolibrary.org/obo/CHEBI_29377 3_STAR
CHEBI:2940 biolink:ChemicalSubstance Avizafone CAS:65617-86-9|KEGG:C11725 phenio.json Avizafone|LDZ http://purl.obolibrary.org/obo/CHEBI_2940 2_STAR
CHEBI:29412 biolink:ChemicalSubstance oxonium CAS:13968-08-6|Gmelin:141|MolBase:1646 phenio.json H3O(+)|Hydronium cation|Hydronium ion|[OH3](+)|aquahydrogen(1+)|oxidanium|oxonium|trihydridooxygen(1+) http://purl.obolibrary.org/obo/CHEBI_29412 3_STAR
CHEBI:29429 biolink:ChemicalSubstance methylidyne group phenio.json #CH|methylidyne http://purl.obolibrary.org/obo/CHEBI_29429 3_STAR
CHEBI:29438 biolink:ChemicalSubstance methanide Beilstein:1813938|CAS:15194-58-8|Gmelin:259263 phenio.json CH3(-)|[CH3](-)|lambda(2)-methanuide|methanide|methyl anion|trihydridocarbonate(1-) http://purl.obolibrary.org/obo/CHEBI_29438 3_STAR
CHEBI:29449 biolink:ChemicalSubstance hydrogen azide CAS:7782-79-8|Gmelin:773 phenio.json N3H|[NNNH]|hydrazoic acid|hydrido-1kappaH-trinitrogen(2N--N)|hydrogen azide|hydrogen trinitride(1-)|triazoic acid http://purl.obolibrary.org/obo/CHEBI_29449 3_STAR
CHEBI:29452 biolink:ChemicalSubstance nerol The (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass. Beilstein:1722455|CAS:106-25-2|KEGG:C09871|KNApSAcK:C00000855|LIPID_MAPS_instance:LMPR0102010010|MetaCyc:CPD-7978|PMID:23999034|PMID:24269775|PMID:24599108|Patent:CN103342627|Patent:MX2013000640|Reaxys:1722454|Wikipedia:Nerol phenio.json (2Z)-3,7-dimethyl-2,6-octadien-1-ol|(2Z)-3,7-dimethylocta-2,6-dien-1-ol|(Z)-3,7-Dimethylocta-2,6-dien-1-ol|(Z)-3,7-dimethyl-2,6-octadien-1-ol|(Z)-geraniol|2-cis-3,7-dimethyl-2,6-octadien-1-ol|Nerol|cis-3,7-dimethyl-2,6-octadien-1-ol|cis-geraniol|nerol|neryl alcohol http://purl.obolibrary.org/obo/CHEBI_29452 3_STAR
CHEBI:29457 biolink:ChemicalSubstance (5Z,7E,9E,14Z,17Z)-icosapentaenoic acid The (5Z,7E,9E,14Z,17Z)-isomer of icosapentaenoic acid. KNApSAcK:C00000438 phenio.json (5Z,7E,9E,14Z,17Z)-Eicosapentaenoate|(5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid|(5Z,7E,9E,14Z,17Z)-icosa-5,7,9,14,17-pentaenoic acid http://purl.obolibrary.org/obo/CHEBI_29457 3_STAR
CHEBI:2946 biolink:ChemicalSubstance azatadine A benzo[5,6]cyclohepta[1,2-b]pyridine having a 1-methylpiperidin-4-ylidene group at the 11-position. Beilstein:889600|CAS:3964-81-6|DrugBank:DB00719|Drug_Central:268|KEGG:C07774|KEGG:D07482|Patent:BE647043|Patent:US3326924|Wikipedia:Azatadine phenio.json 11-(1-Methyl-4-piperidinylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine|11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine|6,11-Dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo(5,6)cyclohepta(1,2-b)pyridine|azatadina|azatadine|azatadinum http://purl.obolibrary.org/obo/CHEBI_2946 3_STAR
CHEBI:29472 biolink:ChemicalSubstance 2-heptyl-3-hydroxy-4-quinolone A quinolone consisting of quinolin-4(1H)-one carrying a heptyl substituent at position 2 and a hydroxy group at position 3. KEGG:C11848|MetaCyc:CPD-12838|PMID:18704225|PMID:20494992|PMID:20967360|PMID:21614486|Reaxys:12490342 phenio.json 2-Heptyl-3-hydroxy-quinolone|2-heptyl-3-hydroxy-4(1H)-quinolone|2-heptyl-3-hydroxy-quinolone|2-heptyl-3-hydroxyquinolin-4(1H)-one|PQS|Pseudomonas quinolone signal http://purl.obolibrary.org/obo/CHEBI_29472 3_STAR
CHEBI:2948 biolink:ChemicalSubstance azathioprine A thiopurine that is 6-mercaptopurine in which the mercapto hydrogen is replaced by a 1-methyl-4-nitroimidazol-5-yl group. It is a prodrug for mercaptopurine and is used as an immunosuppressant, prescribed for the treatment of inflammatory conditions and after organ transplantation and also for treatment of Crohn's didease and MS. CAS:446-86-6|DrugBank:DB00993|Drug_Central:269|KEGG:C06837|KEGG:D00238|PMID:11064448|PMID:15199672|PMID:15476481|PMID:15628319|PMID:15973722|PMID:16344342|PMID:16397313|PMID:16764353|PMID:16954801|PMID:17381669|PMID:17970886|PMID:18008354|PMID:18336531|PMID:19243907|PMID:20080917|PMID:25248004|PMID:25314066|PMID:25440430|PMID:25443086|PMID:25581826|PMID:25641386|PMID:28166217|PMID:8738760|PMID:9273463|PMID:9345422|Reaxys:1225351|Wikipedia:Azathioprine phenio.json 6-((1-Methyl-4-nitro-1H-imidazol-5-yl)thio)-1H-purine|6-(1'-Methyl-4'-nitro-5'-imidazolyl)-mercaptopurine|6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-7H-purine|Imuran (TN) http://purl.obolibrary.org/obo/CHEBI_2948 3_STAR
CHEBI:29484 biolink:ChemicalSubstance (S)-4,5-dihydroxypentane-2,3-dione Pentane substituted at the 2- and 3-positions by oxo groups, at the 4- and 5-positions by hydroxy groups and with S stereoconfiguration at C-4. KEGG:C11838 phenio.json (4S)-4,5-dihydroxypentane-2,3-dione|(S)-4,5-dihydroxypentane-2,3-dione http://purl.obolibrary.org/obo/CHEBI_29484 3_STAR
CHEBI:29509 biolink:ChemicalSubstance abietal A derivative of abieta-7,13-diene having an oxo group on one of the gem-dimethyl groups. Beilstein:2218592|CAS:6704-50-3|KEGG:C11887|KNApSAcK:C00000869 phenio.json Abietal|Abietaldehyde|Abietinal|abieta-7,13-dien-18-al|abietadienal http://purl.obolibrary.org/obo/CHEBI_29509 3_STAR
CHEBI:29510 biolink:ChemicalSubstance abietol An abietane diterpenoid having the skeleton of abietane with double bonds at C-7 and C-13 and a hydroxy function at C-18. Beilstein:2129532|CAS:666-84-2|KEGG:C11882|KNApSAcK:C00000870 phenio.json Abietinol|Abietol|abieta-7,13-dien-18-ol|abietadienol|abietyl alcohol http://purl.obolibrary.org/obo/CHEBI_29510 3_STAR
CHEBI:29515 biolink:ChemicalSubstance ansamitocin P3 A polyketide antibiotic that is isolated from Actinosynnema pretiosum and also exhibits antitumour activity. CAS:66584-72-3|KEGG:C12045|KNApSAcK:C00018269|LIPID_MAPS_instance:LMPK04000039|PMID:11071278|PMID:1517150|PMID:1530630|PMID:15533675|PMID:15674857|PMID:19609582|PMID:20235129|PMID:20980145|PMID:21504911|PMID:21907573|PMID:2298279|Patent:US2007135629|Reaxys:5416580 phenio.json (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1(10,14).0(3,5)]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate|2'-De(acetylmethylamino)-2'-methylmaytansine|Antibiotic C15003P3|C15003P3|Maytansinol isobutyrate|ansamitocin P-3 http://purl.obolibrary.org/obo/CHEBI_29515 3_STAR
CHEBI:29519 biolink:ChemicalSubstance aphidicolan-16beta-ol Beilstein:4993974|CAS:101143-85-5|KEGG:C11890 phenio.json (4aS,6aS,8R,9R,11aS,11bS)-4,4,9,11b-tetramethyltetradecahydro-8,11a-methanocyclohepta[a]naphthalen-9-ol|Aphidicolan-16beta-ol|aphidicolan-16beta-ol http://purl.obolibrary.org/obo/CHEBI_29519 3_STAR
CHEBI:29534 biolink:ChemicalSubstance avermectin B1a BPDB:8|Beilstein:3645625|CAS:65195-55-3|KEGG:C11983|LIPID_MAPS_instance:LMPK04000024|MetaCyc:CPD-12963|VSDB:8 phenio.json (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside|Avermectin B1a|abamectin component B1a http://purl.obolibrary.org/obo/CHEBI_29534 3_STAR
CHEBI:29537 biolink:ChemicalSubstance avermectin B1b Beilstein:8399072|CAS:65195-56-4|KEGG:C11967|LIPID_MAPS_instance:LMPK04000020|MetaCyc:CPD-12964 phenio.json (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-17-oxo-6'-(propan-2-yl)-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside|(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside|Avermectin B1b|abamectin component B1b http://purl.obolibrary.org/obo/CHEBI_29537 3_STAR
CHEBI:2955 biolink:ChemicalSubstance azithromycin A macrolide antibiotic useful for the treatment of bacterial infections. CAS:83905-01-5|DrugBank:DB00207|Drug_Central:276|HMDB:HMDB0014352|KEGG:C06838|KEGG:D07486|LINCS:LSM-5821|PDBeChem:ZIT|PMID:15143799|PMID:18253999|Patent:BE892357|Patent:US4517359|Reaxys:5387583|Reaxys:8820027|Wikipedia:Azithromycin phenio.json (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside|(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)13-((2,6-Dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-11-((3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl)oxy)-1-oxa-6-azacyclopentadecan-15-one|Azenil|Azifast|Azigram|Azimakrol|Azitromin|Hemomycin|Zithromax|Zmax|azithromycine|azithromycinum|azitromicina http://purl.obolibrary.org/obo/CHEBI_2955 3_STAR
CHEBI:2956 biolink:ChemicalSubstance azlocillin A semisynthetic penicillin having a 6beta-{(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl}amino side-group. It is an antibiotic used in treating infections caused by Pseudomonas aeruginosa, Escherichia coli and Haemophilus influenzae. CAS:37091-66-0|DrugBank:DB01061|Drug_Central:277|KEGG:C06839|KEGG:D02339|LINCS:LSM-15179|PMID:11036013|PMID:11397088|PMID:19292999|PMID:20363776|PMID:2068466|PMID:21219695|PMID:21360610|PMID:21883661|PMID:29017833|PMID:6212725|PMID:6231603|PMID:6289737|PMID:6810286|Patent:CN101585844|Patent:FR2100682|Patent:US3933795|Reaxys:5785146|Wikipedia:Azlocillin phenio.json (2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|2,2-dimethyl-6beta-[(2R)-2-{[(2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]penam-3alpha-carboxylic acid|azlocilina|azlocillin|azlocilline|azlocillinum http://purl.obolibrary.org/obo/CHEBI_2956 3_STAR
CHEBI:29582 biolink:ChemicalSubstance ascomycin A macrolide that is produced by the fermentation of Streptomyces hygroscopicus and exhibits strong immunosuppressant properties. CAS:104987-12-4|KEGG:C12102|KNApSAcK:C00017631|PMID:21833838|PMID:23435975|PMID:24628911|PMID:3198493|PMID:7520900|Reaxys:5372600|Wikipedia:Ascomycin phenio.json (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone|FK 520|FK520|FR 900520|Immunomycin|L 683590 http://purl.obolibrary.org/obo/CHEBI_29582 3_STAR
CHEBI:295975 biolink:ChemicalSubstance choline phosphate(1-) The organophosphate oxoanion formed from choline by removal of two protons from the phosphate group. Major species at pH 7.3. PMID:9357523 phenio.json 2-(trimethylammonio)ethyl phosphate|2-(trimethylazaniumyl)ethyl phosphate|phosphocholine http://purl.obolibrary.org/obo/CHEBI_295975 3_STAR
CHEBI:29605 biolink:ChemicalSubstance gibberellin A9 A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and elongation of cells in plants. Initially identified in Gibberella fujikuroi it differs from gibberellin A1 in the absence of OH groups at C-2 and C-7 (gibbane numberings). CAS:427-77-0|FooDB:FDB013653|HMDB:HMDB0303451|KEGG:C11863|KNApSAcK:C00000009|LIPID_MAPS_instance:LMPR0104170020|MetaCyc:CPD1F-134|PMID:14324397|PMID:24100624|PMID:24227328|PMID:24232845|PMID:24378220|PMID:24477351|PMID:24913054|PMID:27789625|PMID:942959|Reaxys:4267721 phenio.json (1R,2R,5R,8R,9S,10R,11R)-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid|1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid|GA9|Gibberellin A9 http://purl.obolibrary.org/obo/CHEBI_29605 3_STAR
CHEBI:29616 biolink:ChemicalSubstance abieta-8(14),12-diene Beilstein:3131200|CAS:122712-77-0|KEGG:C11879 phenio.json Levopimaradiene|abieta-8(14),12-diene http://purl.obolibrary.org/obo/CHEBI_29616 3_STAR
CHEBI:29623 biolink:ChemicalSubstance manumycin A A polyketide with formula C31H38N2O7 initially isolated from Streptomyces parvulus as a result of a random screening program for farnesyl transferase (FTase) inhibitors. It is a natural product that exhibits anticancer and antibiotic properties. CAS:52665-74-4|Chemspider:4942813|HMDB:HMDB0242678|KEGG:C12111|LIPID_MAPS_instance:LMFA08020185|MetaCyc:CPD-18768|PMCID:PMC3513075|PMID:12699746|PMID:15787434|PMID:17363690|PMID:21349982|PMID:22272079|PMID:23328664|PMID:23730936|PMID:23828222|PMID:24899815|PMID:25556058|PMID:26602157|PMID:26962870|PMID:27176604|PMID:27307747|PMID:27878284|PMID:28844715|PMID:29670693|PMID:30476593|PMID:30785834|PMID:32298799|PMID:32344935|PMID:33719954|PMID:34200371|PMID:3693123|PMID:8460134 phenio.json (-)-manumycin A|(2E,4E,6R)-N-[(1S,5S,6R)-5-Hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyl-2,4-decadienamide|(2E,4E,6R)-N-[(1S,5S,6R)-5-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2,4,6-trimethyldeca-2,4-dienamide|NSC 622141|UCF 1C|UCF1-C|manumycin|manumycin A http://purl.obolibrary.org/obo/CHEBI_29623 3_STAR
CHEBI:29658 biolink:ChemicalSubstance oleandolide A 14-membererd macrolide containing ten stereocentres carrying one epoxymethano, three hydroxy and five methyl substituents. It is the aglycone of the antibiotic oleandomycin. CAS:68540-16-9|LIPID_MAPS_instance:LMPK04000031|Reaxys:3566509 phenio.json (-)-oleandolide|(3R,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6,12,14-trihydroxy-5,7,8,11,13,15-hexamethyl-1,9-dioxaspiro[2.13]hexadecane-4,10-dione|Oleandolide|Oleandomycin aglycone|Oleandonolide http://purl.obolibrary.org/obo/CHEBI_29658 3_STAR
CHEBI:29669 biolink:ChemicalSubstance pyochelin A member of the class of thiazolidines that is (4R)-3-methyl-1,3-thiazolidine-4-carboxylic acid which is substituted at position 2 by a (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl group. A siderophore that is produced by Pseudomonas aeruginosa (via condensation of salicylic acid and two molecules of cysteine) as a mixture of two easily interconvertible diastereoisomers, pyochelin I (major) and pyochelin II (minor). The enantiomeric compounds, enant-pyochelin, are produced by Pseudomonas fluorescens. CAS:69772-54-9|KEGG:C12037|KNApSAcK:C00015907|MetaCyc:CPD-9992|PMID:12040125|PMID:15259361|PMID:19297329|PMID:21188474|PMID:6794030|Reaxys:8782488 phenio.json (4R)-2-[(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-3-methyl-1,3-thiazolidine-4-carboxylic acid|Pyochelin http://purl.obolibrary.org/obo/CHEBI_29669 3_STAR
CHEBI:29678 biolink:ChemicalSubstance sodium arsenite An inoganic sodium salt with formula with formula NaAsO2. CAS:7784-46-5|KEGG:C11906|MetaCyc:CPD0-1496|PMID:17070520|PMID:19131511|PMID:20423156|PMID:20598115|PMID:23194016|PMID:23694735|PMID:24004876|PMID:24100277|PMID:24519527|PMID:9580875|PMID:9649501|PPDB:2877|Reaxys:14201303|Reaxys:16472677|Wikipedia:Sodium_arsenite phenio.json (NaAsO2)n|Na(+)n-(-As(O(-))O-)-n|NaAsO2|Sodium arsenite|Sodium dioxoarsenate|catena-poly[(oxidoarsenate-mu-oxido)]sodium|sodium meta-arsenite|sodium metaarsenite http://purl.obolibrary.org/obo/CHEBI_29678 3_STAR
CHEBI:2968 biolink:ChemicalSubstance bacampicillin A penicillanic acid ester that is the 1-ethoxycarbonyloxyethyl ester of ampicillin. It is a semi-synthetic, microbiologically inactive prodrug of ampicillin. CAS:50972-17-3|DrugBank:DB01602|Drug_Central:280|HMDB:HMDB0015540|KEGG:C08122|KEGG:D07487|PMID:1211909|PMID:29017833|PMID:464583|PMID:7012993|PMID:7012998|PMID:9131470|Patent:DE2144457|Patent:US3873521|Patent:US3939270|Reaxys:5784318|Wikipedia:Bacampicillin phenio.json 1'-ethoxycarbonyloxyethyl-(6-D-alpha-aminophenylacetamido)penicillanate|1-[(ethoxycarbonyl)oxy]ethyl (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|1-[(ethoxycarbonyl)oxy]ethyl 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate|bacampicilina|bacampicillin|bacampicilline|bacampicillinum http://purl.obolibrary.org/obo/CHEBI_2968 3_STAR
CHEBI:29687 biolink:ChemicalSubstance teicoplanin A complex mixture of related natural products isolated from the fermentation broth of a strain of Actinoplanes teichomyceticus comprising five major components (teicoplanin A2-1 through A2-5), a hydrolysis component (teicoplanin A3-1), and four minor components (teicoplanin RS-1 through RS-4). An antibiotic with a similar spectrum of activity to vancomycin, it is used to treat serious Gram-positive bacterial infections, including methicillin-resistant Staphylococcus aureus and Enterococcus faecalis. CAS:61036-62-2|DrugBank:DB06149|KEGG:C15820|KEGG:D02142|PMID:1416858|PMID:24506456|PMID:24693468|PMID:25190719|PMID:25218156|PMID:25224001|PMID:25358800|PMID:25616054|PMID:25726436|Reaxys:8196734|Wikipedia:Teicoplanin phenio.json Targocid|antibiotic 8327A|teicoplanin|teicoplanina|teicoplanine|teicoplaninum http://purl.obolibrary.org/obo/CHEBI_29687 3_STAR
CHEBI:29688 biolink:ChemicalSubstance telithromycin CAS:191114-48-4|Drug_Central:2581|KEGG:C12009|KEGG:D01078|PDBeChem:TEL phenio.json (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-1-[4-(4-pyridin-3-yl-1H-imidazol-1-yl)butyl]tetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside|HMR 3647|HMR-3647|HMR3647|RU 66647|RU-66647|RU66647|TELITHROMYCIN|Telithromycin http://purl.obolibrary.org/obo/CHEBI_29688 2_STAR
CHEBI:29693 biolink:ChemicalSubstance thiostrepton A heterodetic cyclic peptide, in which the cyclisation step involves a formal lactonisation between the carboxy group of a quinaldic acid-based residue and a secondary alcohol. An antibiotic that inhibits bacterial protein synthesis. Also acts as an antitumor agent. CAS:1393-48-2|DrugBank:DB11467|KEGG:C12054|KEGG:D06111|KNApSAcK:C00000753|MetaCyc:CPD-13481|PMID:14405296|PMID:16076225|PMID:19652535|PMID:21107477|PMID:21323347|PMID:21365012|PMID:21620902|PMID:21860463|PMID:21903609|PMID:21908407|PMID:22049175|PMID:22108865|PMID:22271891|PMID:22321511|PMID:22353937|PMID:22357874|PMID:22391527|PMID:31835481|PMID:32330398|PMID:33193851|PMID:33498547|PMID:33515584|PMID:34369229|PMID:34863996|PMID:35859150|PMID:35873171|PMID:36097108|PMID:36152915|PMID:36910221|PMID:37646656|PMID:37662481|PMID:37752225|PMID:38634704|PMID:38652969|Reaxys:7390758|VSDB:3007|Wikipedia:Thiostrepton phenio.json Thiostrepton|bryamycin|gargon|thiactin|thiostrepton A http://purl.obolibrary.org/obo/CHEBI_29693 3_STAR
CHEBI:29699 biolink:ChemicalSubstance tunicamycin A mixture of antiviral nucleoside antibiotics produced by Streptomyces lysosuperificus. It contains at least 10 homologues comprising uracil, N-acetylglucosamine, an 11-carbon aminodialdose called tunicamine, and a fatty acid linked to the amino group of the tunicamine. The homologues vary in the composition of the fatty acid moiety. CAS:11089-65-9|KEGG:C12063|PMID:11478581|PMID:11514096|PMID:11732194|PMID:11798249|PMID:12093793|PMID:12106388|PMID:12136966|PMID:12232600|PMID:12232799|PMID:12515321|PMID:160437|PMID:1624425|PMID:3018444|PMID:315774|PMID:34700340|PMID:34979291|PMID:35233582|PMID:35370192|PMID:4624615|PMID:4630978|PMID:5103138|PMID:5103535|PMID:5168706|PMID:6153524|PMID:6813319|PMID:6975776|PMID:6992777|PMID:701277|PMID:7142115|PMID:7144800|PMID:7766032|Wikipedia:Tunicamycin phenio.json Tunicamycin http://purl.obolibrary.org/obo/CHEBI_29699 3_STAR
CHEBI:29700 biolink:ChemicalSubstance tylactone A 16-membererd macrolide that is the aglycone of the antibiotic 5-O-beta-D-mycaminosyltylactone. CAS:74758-60-4|KEGG:C12000|MetaCyc:CPD-15948|PMID:3733529|PMID:6511663|PMID:6735923|PMID:6833128|PMID:7118724|Reaxys:5765520 phenio.json (4R,5S,6S,7S,9R,11E,13E,15S,16R)-7,16-diethyl-4,6-dihydroxy-5,9,13,15-tetramethyloxacyclohexadeca-11,13-diene-2,10-dione|20-Deoxo-12,13-desepoxy-12,13-dehydrorosaranolide|20-Dsdr|20-deoxo-23-deoxytylonolide|Protylonolide|Tylactone|tylactone http://purl.obolibrary.org/obo/CHEBI_29700 3_STAR
CHEBI:29701 biolink:ChemicalSubstance tyrocidine A A homodetic cyclic decapeptide consisting of D-Phe, L-Pro, L-Phe, D-Phe, L-Asn, L-Gln, L-Tyr, L-Val, L-Orn, and L-Leu residues coupled in sequence and cyclised head-to-tail. CAS:8011-61-8|KEGG:C12041|PMID:4320358|PMID:5900549|Reaxys:505927 phenio.json TrcA|cyclo(L-asparaginyl-L-glutaminyl-L-tyrosyl-L-valyl-L-ornithyl-L-leucyl-D-phenylalanyl-L-prolyl-L-phenylalanyl-D-phenylalanyl)|cyclo-(D-Phe-Pro-Phe-D-Phe-Asn-Gln-Tyr-Val-Orn-Leu)|cyclo-(D-PheProPhe-D-PheAsnGlnTyrValOrnLeu) http://purl.obolibrary.org/obo/CHEBI_29701 3_STAR
CHEBI:2972 biolink:ChemicalSubstance baclofen A monocarboxylic acid that is butanoic acid substituted by an amino group at position 4 and a 4-chlorophenyl group at position 3. It acts as a central nervous system depressant, GABA agonist and muscle relaxant. CAS:1134-47-0|DrugBank:DB00181|Drug_Central:282|HMDB:HMDB0014327|KEGG:D00241|LINCS:LSM-5169|PMID:11772961|PMID:18682277|PMID:18824012|Patent:NL6407755|Patent:US3471548|Reaxys:2104494|Wikipedia:Baclofen phenio.json (+-)-Baclofen|4-Amino-3-(4-chlorophenyl)butyric acid|4-amino-3-(4-chlorophenyl)butanoic acid|DL-4-Amino-3-p-chlorophenylbutanoic acid|DL-Baclofen|baclofen|baclofene|baclofeno|baclofenum|beta-(4-Chlorophenyl)gaba|beta-(Aminomethyl)-4-chlorobenzenepropanoic acid|beta-(Aminomethyl)-p-chlorohydrocinnamic acid|beta-(p-Chlorophenyl)-gamma-aminobutyric acid|gamma-Amino-beta-(p-chlorophenyl)butyric acid http://purl.obolibrary.org/obo/CHEBI_2972 3_STAR
CHEBI:29739 biolink:ChemicalSubstance 5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate The 5alpha,9beta,10alpha-diastereomer of copalyl diphosphate. KEGG:C11902|KNApSAcK:C00000899|LIPID_MAPS_instance:LMPR0104030003 phenio.json 3-methyl-5-[(1R,4aS,8aS)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate|5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl trihydrogen diphosphate|syn-Copalyl diphosphate http://purl.obolibrary.org/obo/CHEBI_29739 3_STAR
CHEBI:29743 biolink:ChemicalSubstance 3-oxododecanoate KEGG:C02367 phenio.json 3-Oxododecanoate|3-oxododecanoate http://purl.obolibrary.org/obo/CHEBI_29743 3_STAR
CHEBI:29744 biolink:ChemicalSubstance lithocholate A bile acid anion that is the conjugate base of lithocholic acid. Reaxys:8241304 phenio.json 3alpha-hydroxy-5beta-cholan-24-oate|lithocholate http://purl.obolibrary.org/obo/CHEBI_29744 3_STAR
CHEBI:29745 biolink:ChemicalSubstance barbiturate Conjugate base of barbituric acid. Gmelin:601777|KEGG:C00813 phenio.json 2,4,6-trioxotetrahydro-2H-pyrimidin-1-ide|barbiturate anion http://purl.obolibrary.org/obo/CHEBI_29745 3_STAR
CHEBI:29746 biolink:ChemicalSubstance glycocholate A cholanic acid conjugate anion that is the conjugate base of glycocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. DrugBank:DB02691|KEGG:C01921|Reaxys:3739464 phenio.json N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate|glycocholate http://purl.obolibrary.org/obo/CHEBI_29746 3_STAR
CHEBI:29747 biolink:ChemicalSubstance cholate A bile acid anion that is the conjugate base of cholic acid. Reaxys:3915750 phenio.json 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate|3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate|cholate http://purl.obolibrary.org/obo/CHEBI_29747 3_STAR
CHEBI:29748 biolink:ChemicalSubstance chorismate(2-) Beilstein:6278304 phenio.json (3R,4R)-3-[(1-carboxylatoethenyl)oxy]-4-hydroxycyclohexa-1,5-diene-1-carboxylate|chorismate http://purl.obolibrary.org/obo/CHEBI_29748 3_STAR
CHEBI:29749 biolink:ChemicalSubstance trans-ferulate A monocarboxylic acid anion obtained by the deprotonation of the carboxy group of ferulic acid. MetaCyc:FERULIC-ACID phenio.json (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|(E)-ferulate|3-methoxy-4-hydroxy-trans-cinnamate http://purl.obolibrary.org/obo/CHEBI_29749 3_STAR
CHEBI:29750 biolink:ChemicalSubstance 3-(indol-3-yl)pyruvic acid A 2-oxo monocarboxylic acid that is pyruvic acid substituted by a 1H-indol-3-yl group at position 3. It has been found in Lycopersicon esculentum CAS:392-12-1|ECMDB:ECMDB21543|HMDB:HMDB0060484|KEGG:C00331|KNApSAcK:C00007571|PDBeChem:3IO|PMID:12902239|PMID:24445491|PMID:25036485|Reaxys:172966|YMDB:YMDB00169 phenio.json 3-(1H-indol-3-yl)-2-oxopropanoic acid|Indolepyruvic acid|indole-3-pyruvic acid http://purl.obolibrary.org/obo/CHEBI_29750 3_STAR
CHEBI:29751 biolink:ChemicalSubstance (-)-quinate A quinate that is the conjugate base of (-)-quinic acid. KEGG:C00296|Reaxys:5029142 phenio.json (-)-quinate|(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylate|1L-1(OH),3,4/5-Tetrahydroxycyclohexanecarboxylate|L-quinate|Quinate http://purl.obolibrary.org/obo/CHEBI_29751 3_STAR
CHEBI:29753 biolink:ChemicalSubstance arsonite(2-) phenio.json [AsHO2](2-)|arsonite|hydridodioxidoarsenate(2-) http://purl.obolibrary.org/obo/CHEBI_29753 3_STAR
CHEBI:29754 biolink:ChemicalSubstance arsonate(2-) phenio.json [AsHO3](2-)|arsonate|hydridotrioxidoarsenate(2-) http://purl.obolibrary.org/obo/CHEBI_29754 3_STAR
CHEBI:29772 biolink:ChemicalSubstance hydroxyazanide An inorganic anion that is the conjugate base of hydroxylamine, arising from deprotonation of the amino function. Gmelin:1241774 phenio.json [HONH](-)|hydridohydroxidonitrate(1-)|hydroxyazanide http://purl.obolibrary.org/obo/CHEBI_29772 3_STAR
CHEBI:29773 biolink:ChemicalSubstance aminooxidanide phenio.json [H2NO](-)|aminooxidanide|azanolate|dihydridooxidonitrate(1-) http://purl.obolibrary.org/obo/CHEBI_29773 3_STAR
CHEBI:29775 biolink:ChemicalSubstance selenol group phenio.json -SeH|selanyl|selenol http://purl.obolibrary.org/obo/CHEBI_29775 3_STAR
CHEBI:29780 biolink:ChemicalSubstance isochorismate(2-) Beilstein:8334070|DrugBank:DB02793|KEGG:C00885 phenio.json (5S,6S)-5-[(1-carboxylatoethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylate|Isochorismate|isochorismate http://purl.obolibrary.org/obo/CHEBI_29780 3_STAR
CHEBI:29785 biolink:ChemicalSubstance nitro group phenio.json -NO2|nitro http://purl.obolibrary.org/obo/CHEBI_29785 3_STAR
CHEBI:29788 biolink:ChemicalSubstance (dioxido)oxidocarbonate(.1-) phenio.json (dioxido)oxidocarbonate(.1-)|OCOO(.-)|oxidoperoxidocarbonate(.1-) http://purl.obolibrary.org/obo/CHEBI_29788 3_STAR
CHEBI:2979 biolink:ChemicalSubstance baicalein A trihydroxyflavone with the hydroxy groups at positions C-5, -6 and -7. CAS:491-67-8|Chemspider:4444924|DrugBank:DB16101|FooDB:FDB012057|HMDB:HMDB0134890|KEGG:C10023|KNApSAcK:C00001022|LINCS:LSM-6355|LIPID_MAPS_instance:LMPK12111095|MetaCyc:CPD-12724|PDBeChem:3WL|PMID:10724177|PMID:11513834|PMID:15853750|PMID:22114686|PMID:22891631|PMID:23098745|PMID:23339711|PMID:26268338|PMID:28166217|PMID:31976018|PMID:32618193|PMID:32737471|PMID:32781058|PMID:33062636|PMID:33075645|PMID:33095440|PMID:33121927|PMID:33166766|PMID:33272570|PMID:33348871|PMID:33446085|PMID:33491508|PMID:33511213|PMID:33670013|PMID:33777154|PMID:33779329|PMID:33794322|PMID:33880917|PMID:33921971|PMID:33939310|PMID:33996574|PMID:34008261|PMID:34015760|PMID:34038512|PMID:34044073|PMID:34060266|PMID:34072443|PMID:59001|Patent:CN102429899|Reaxys:272683|Wikipedia:Baicalein phenio.json 5,6,7-Trihydroxyflavone|5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one|5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one|Baicalein|Noroxylin http://purl.obolibrary.org/obo/CHEBI_2979 3_STAR
CHEBI:29790 biolink:ChemicalSubstance (hydridodioxido)oxidocarbon(.) phenio.json (dioxidanido)oxidocarbon(.)|(hydridodioxido)oxidocarbon(.)|HOOCO(.)|OCOOH(.) http://purl.obolibrary.org/obo/CHEBI_29790 3_STAR
CHEBI:29792 biolink:ChemicalSubstance hydroperoxy group phenio.json -OOH|dioxidanyl|hydroperoxy http://purl.obolibrary.org/obo/CHEBI_29792 3_STAR
CHEBI:29793 biolink:ChemicalSubstance hydridodioxygen(1+) Gmelin:508 phenio.json HO2(+)|HOO(+)|[HO2](+)|dioxidenium|hydridodioxygen(1+) http://purl.obolibrary.org/obo/CHEBI_29793 3_STAR
CHEBI:29799 biolink:ChemicalSubstance dinitrogen trioxide CAS:10544-73-7 phenio.json Dinitrogen trioxide|O2NNO|trioxido-1kappa(2)O,2kappaO-dinitrogen(N--N) http://purl.obolibrary.org/obo/CHEBI_29799 3_STAR
CHEBI:2980 biolink:ChemicalSubstance 5,6,7-trimethoxyflavone A trimethoxyflavone that is the 5,6,7-trimethyl ether derivative of baicalein. It has been isolated from the plant Callicarpa japonica and has been shown to exhibit antiviral activity. CAS:973-67-1|KEGG:C10024|KNApSAcK:C00003808|LIPID_MAPS_instance:LMPK12111100|PMID:15642351|PMID:18470630|PMID:9222055|Reaxys:300583 phenio.json 5,6,7-trimethoxy-2-phenyl-4H-chromen-4-one|Baicalein 5,6,7-trimethyl ether http://purl.obolibrary.org/obo/CHEBI_2980 3_STAR
CHEBI:29805 biolink:ChemicalSubstance glycolate A hydroxy monocarboxylic acid anion that is acetate where the methyl group has been hydroxylated. CAS:666-14-8|DrugBank:DB03085|KEGG:C00160|MetaCyc:GLYCOLLATE|PMID:17190852|PMID:22093610|PMID:22207577|PMID:22268146|PMID:22327578|PMID:22394389|PMID:22446032|Reaxys:3903689|UM-BBD_compID:c0008 phenio.json glycolate|hydroxyacetate http://purl.obolibrary.org/obo/CHEBI_29805 3_STAR
CHEBI:29806 biolink:ChemicalSubstance fumarate(2-) A C4-dicarboxylate that is the E-isomer of but-2-enedioate(2-) CAS:142-42-7|DrugBank:DB01677|Gmelin:325288|KEGG:C00122|MetaCyc:FUM|PDBeChem:FUM|PMID:15618158|PMID:16857679|PMID:17190852|PMID:22052553|PMID:22405071|Reaxys:1861276|UM-BBD_compID:c0111 phenio.json (2E)-but-2-enedioate|(E)-2-butenedioic acid, ion(2-)|FUMARATE|fumarate http://purl.obolibrary.org/obo/CHEBI_29806 3_STAR
CHEBI:29807 biolink:ChemicalSubstance glycyrrhizinate(3-) A tricarboxylic acid trianion that is the conjugate base of glycyrrhizinic acid. KEGG:C02284|KEGG:D00157|KNApSAcK:C00003522|MetaCyc:GLYCYRRHIZINATE phenio.json (3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl-2-O-beta-D-glucuronosyl-beta-D-glucosiduronic acid|Glycyrrhizic acid|Glycyrrhizin|Glycyrrhizinate|glycyrrhizin http://purl.obolibrary.org/obo/CHEBI_29807 3_STAR
CHEBI:2981 biolink:ChemicalSubstance baicalin The glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis. CAS:21967-41-9|Drug_Central:4055|HMDB:HMDB0041832|KEGG:C10025|KNApSAcK:C00001024|LIPID_MAPS_instance:LMPK12111081|MetaCyc:CPD-12725|PDBeChem:0XE|PMCID:PMC8165801|PMID:10724177|PMID:18650094|PMID:21087019|PMID:22467027|PMID:23142347|PMID:23302221|PMID:23354080|PMID:23523628|PMID:25847243|PMID:32707128|PMID:32795339|PMID:33008383|PMID:33224035|PMID:33269624|PMID:33352232|PMID:33493657|PMID:33595821|PMID:33652818|PMID:33732310|PMID:33781030|PMID:33801847|PMID:33815110|PMID:33891262|PMID:33921971|PMID:33923637|PMID:33935719|PMID:33955315|PMID:33992597|PMID:34029124|PMID:34044073|PMID:34053448|Patent:CN102584918|Patent:WO2012119458|Reaxys:70480|Wikipedia:Baicalin phenio.json 5,6,7-trihydroxyflavone 7-O-beta-D-glucuronide|5,6-dihydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid|5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid|7-D-glucuronic acid-5,6-dihydroxyflavone|Baicalin|baicalein 7-O-glucuronide|baicalein 7-glucuronide http://purl.obolibrary.org/obo/CHEBI_2981 3_STAR
CHEBI:29840 biolink:ChemicalSubstance arsinic acid phenio.json HAsH2O2|[AsH2O(OH)]|arsinic acid|dihydridohydroxidooxidoarsenic http://purl.obolibrary.org/obo/CHEBI_29840 3_STAR
CHEBI:29846 biolink:ChemicalSubstance arsinate phenio.json AsH2O2(-)|[AsH2(O)2](-)|arsinate|dihydridodioxidoarsenate(1-) http://purl.obolibrary.org/obo/CHEBI_29846 3_STAR
CHEBI:29847 biolink:ChemicalSubstance arsonous acid phenio.json H2AsHO2|[AsH(OH)2]|arsonous acid|hydridodihydroxidoarsenic http://purl.obolibrary.org/obo/CHEBI_29847 3_STAR
CHEBI:29850 biolink:ChemicalSubstance arsonic acid Gmelin:2037439 phenio.json H2AsHO3|[AsHO(OH)2]|arsonic acid|hydridodihydroxidooxidoarsenic http://purl.obolibrary.org/obo/CHEBI_29850 3_STAR
CHEBI:29852 biolink:ChemicalSubstance methylarsonic acid Beilstein:1739373|CAS:124-58-3|Gmelin:1316748|KEGG:C07294|PPDB:1575 phenio.json MAA|MeAsO(OH)2|Methylarsonic acid|methanearsonic acid|methylarsonic acid|monomethylarsonic acid http://purl.obolibrary.org/obo/CHEBI_29852 3_STAR
CHEBI:29864 biolink:ChemicalSubstance mannitol A hexitol produced by a variety of organisms including bacteria, fungi, lichens and plants. PMID:24269997|PMID:24323504|PMID:24374122|PMID:24861101|Wikipedia:Mannitol phenio.json mannitol http://purl.obolibrary.org/obo/CHEBI_29864 3_STAR
CHEBI:29865 biolink:ChemicalSubstance benzo[a]pyrene An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. CAS:50-32-8|Gmelin:262573|KEGG:C07535|LINCS:LSM-2198|PMID:11932001|PMID:16256111|PMID:16381670|PMID:1844333|PMID:26530167|PMID:26703252|PMID:7561049|PMID:7721048|Reaxys:1911333|Wikipedia:Benzo(a)pyrene phenio.json (B(a)P)|3,4-BP|3,4-Benzopyrene|3,4-Benzpyrene|BP|Benzo(a)pyrene|Benzo[a]pyrene|Benzpyrene|benzo[def]chrysene|benzo[pqr]tetraphene http://purl.obolibrary.org/obo/CHEBI_29865 3_STAR
CHEBI:29866 biolink:ChemicalSubstance arsenite(3-) An arsenite ion resulting from the removal of all three protons from the hydroxy groups of arsenous acid. CAS:15502-74-6|Gmelin:25868|KEGG:C06697|PDBeChem:AST phenio.json ARSENITE|Arsenite|AsO3(3-)|[AsO3](3-)|arsenite|arsorite|trioxidoarsenate(3-)|trioxoarsenate(3-)|trioxoarsenate(III) http://purl.obolibrary.org/obo/CHEBI_29866 3_STAR
CHEBI:29888 biolink:ChemicalSubstance diphosphoric acid An acyclic phosphorus acid anhydride obtained by condensation of two molecules of phosphoric acid. CAS:2466-09-3|DrugBank:DB04160|ECMDB:ECMDB04142|Gmelin:82619|KEGG:C00013|KNApSAcK:C00019561|PDBeChem:PPV|PMID:6291941|Reaxys:3942075 phenio.json 1,5-dihydrido-2,4-dihydroxido-2,4-dioxido-1,3,5-trioxy-2,4-diphosphy-[5]catena|Diphosphoric acid|Diphosphorsaeure|H4P2O7|PYROPHOSPHATE|Pyrophosphate|Pyrophosphoric acid|Pyrophosphorsaeure|[(HO)2P(O)OP(O)(OH)2]|acide diphosphorique|diphosphoric acid|mu-oxido-bis(dihydroxidooxidophosphorus) http://purl.obolibrary.org/obo/CHEBI_29888 3_STAR
CHEBI:2991 biolink:ChemicalSubstance aloin A A C-glycosyl compound that is beta-D-glucopyranose in which the anomeric hydroxy group is replaced by a 4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl moiety (the 9S diastereoisomer). CAS:1415-73-2|HMDB:HMDB0035219|KEGG:C10305|KNApSAcK:C00002797|PMID:17269040|PMID:23569857|PMID:3246014|Reaxys:6077558 phenio.json (1S)-1,5-anhydro-1-[(9S)-4,5-dihydroxy-2-(hydroxymethyl)-10-oxo-9,10-dihydroanthracen-9-yl]-D-glucitol|Aloin A|Barbaloin http://purl.obolibrary.org/obo/CHEBI_2991 3_STAR
CHEBI:29917 biolink:ChemicalSubstance thiol group phenio.json -SH|HS-|Mercaptogruppe|Merkaptogruppe|Sulfhydrylgruppe|Thiolgruppe|mercapto group|sulfanyl|sulfhydryl group|sulphydryl group|thiol|thiol group http://purl.obolibrary.org/obo/CHEBI_29917 3_STAR
CHEBI:29919 biolink:ChemicalSubstance hydrosulfide CAS:15035-72-0|Gmelin:24766 phenio.json HS anion|HS(-)|hydrogen sulfide|hydrogen(sulfide)(1-)|hydrosulfide|sulfanide http://purl.obolibrary.org/obo/CHEBI_29919 3_STAR
CHEBI:29920 biolink:ChemicalSubstance phosphoramidate CAS:22638-09-1|KEGG:C02306 phenio.json [P(NH2)O3](2-)|amidophosphate|amidotrioxidophosphate(2-)|phosphoramidate|phosphoramidic acid, ion(2-)|phosphoric amide http://purl.obolibrary.org/obo/CHEBI_29920 3_STAR
CHEBI:29922 biolink:ChemicalSubstance sulfo group PDBeChem:SFO phenio.json -S(O)2(OH)|SULFO GROUP|hydroxydioxo-lambda(6)-sulfanyl|hydroxysulfonyl|sulfo http://purl.obolibrary.org/obo/CHEBI_29922 3_STAR
CHEBI:29923 biolink:ChemicalSubstance selenono group phenio.json -Se(O)2(OH)|hydroxydioxo-lambda(6)-selanyl|hydroxyselenonyl|selenono http://purl.obolibrary.org/obo/CHEBI_29923 3_STAR
CHEBI:29924 biolink:ChemicalSubstance hydrogenselenite CAS:20638-10-2|Gmelin:164165 phenio.json HSeO3(-)|[SeO2(OH)](-)|hydrogen selenite|hydrogenselenite(1-)|hydroxidodioxidoselenate(1-) http://purl.obolibrary.org/obo/CHEBI_29924 3_STAR
CHEBI:29934 biolink:ChemicalSubstance (1s,4s)-prephenate(2-) A prephenate(2-) obtained by deprotonation of both carboxy groups of (1s,4s)-prephenic acid; major species at pH 7.3. KEGG:C00254|MetaCyc:PREPHENATE|Reaxys:3682733 phenio.json (1s,4s)-1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate|cis-1-(2-carboxylato-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylate|cis-prephenate|prephenate http://purl.obolibrary.org/obo/CHEBI_29934 3_STAR
CHEBI:29947 biolink:ChemicalSubstance glycine residue PDBeChem:GLY_LL|RESID:AA0008 phenio.json -Gly-|-HN-CH2-CO-|G|glycine|glycine residue|glycyl http://purl.obolibrary.org/obo/CHEBI_29947 3_STAR
CHEBI:29950 biolink:ChemicalSubstance L-cysteine residue RESID:AA0005 phenio.json -Cys-|C|Cys|L-cysteine|L-cysteine acid residue|L-cysteine residue|L-cysteinyl http://purl.obolibrary.org/obo/CHEBI_29950 3_STAR
CHEBI:29951 biolink:ChemicalSubstance D-cysteine residue phenio.json -D-Cys-|D-Cys|D-cysteine acid residue|D-cysteine residue|D-cysteinyl|DCys http://purl.obolibrary.org/obo/CHEBI_29951 3_STAR
CHEBI:29952 biolink:ChemicalSubstance L-arginine residue RESID:AA0002 phenio.json -Arg-|Arg|L-arginine|L-arginine base residue|L-arginine residue|L-arginyl|R http://purl.obolibrary.org/obo/CHEBI_29952 3_STAR
CHEBI:29953 biolink:ChemicalSubstance D-arginine residue phenio.json -D-Arg-|D-Arg|D-arginine base residue|D-arginine residue|D-arginyl|DArg http://purl.obolibrary.org/obo/CHEBI_29953 3_STAR
CHEBI:29958 biolink:ChemicalSubstance L-aspartic acid residue RESID:AA0004 phenio.json -Asp-|Asp|D|L-aspartic acid|L-aspartic acid residue|L-aspartic residue|L-aspartyl http://purl.obolibrary.org/obo/CHEBI_29958 3_STAR
CHEBI:29959 biolink:ChemicalSubstance quinolinate(2-) Gmelin:329233 phenio.json pyridine-2,3-dicarboxylate|quinolinate http://purl.obolibrary.org/obo/CHEBI_29959 3_STAR
CHEBI:29961 biolink:ChemicalSubstance L-aspartate residue phenio.json Asp(-)|L-aspartate residue http://purl.obolibrary.org/obo/CHEBI_29961 3_STAR
CHEBI:29962 biolink:ChemicalSubstance D-aspartate residue phenio.json D-Asp(-)|D-aspartate residue http://purl.obolibrary.org/obo/CHEBI_29962 3_STAR
CHEBI:29963 biolink:ChemicalSubstance D-cysteinate residue phenio.json D-Cys(-)|D-cysteinate residue http://purl.obolibrary.org/obo/CHEBI_29963 3_STAR
CHEBI:29964 biolink:ChemicalSubstance L-cysteinate residue phenio.json Cys(-)|L-cysteinate residue http://purl.obolibrary.org/obo/CHEBI_29964 3_STAR
CHEBI:29965 biolink:ChemicalSubstance L-argininium residue phenio.json ArgH(+)|L-arginine residue|L-argininium residue http://purl.obolibrary.org/obo/CHEBI_29965 3_STAR
CHEBI:29966 biolink:ChemicalSubstance D-argininium residue phenio.json D-ArgH(+)|D-argininium residue http://purl.obolibrary.org/obo/CHEBI_29966 3_STAR
CHEBI:29967 biolink:ChemicalSubstance L-lysine residue RESID:AA0012 phenio.json -Lys-|K|L-lysine|L-lysine base residue|L-lysine residue|L-lysyl|Lys http://purl.obolibrary.org/obo/CHEBI_29967 3_STAR
CHEBI:29968 biolink:ChemicalSubstance D-lysine residue phenio.json -D-Lys-|D-Lys|D-lysine base residue|D-lysine residue|DLys http://purl.obolibrary.org/obo/CHEBI_29968 3_STAR
CHEBI:29969 biolink:ChemicalSubstance L-lysinium residue phenio.json L-lysine residue|L-lysinium residue|LysH(+) http://purl.obolibrary.org/obo/CHEBI_29969 3_STAR
CHEBI:29970 biolink:ChemicalSubstance D-lysinium residue phenio.json D-LysH(+)|D-lysinium residue http://purl.obolibrary.org/obo/CHEBI_29970 3_STAR
CHEBI:29972 biolink:ChemicalSubstance L-glutamic acid residue RESID:AA0006 phenio.json -Glu-|E|Glu|L-glutamic acid|L-glutamic acid residue|L-glutamic residue|L-glutamyl http://purl.obolibrary.org/obo/CHEBI_29972 3_STAR
CHEBI:29973 biolink:ChemicalSubstance L-glutamate residue phenio.json Glu(-)|L-glutamate residue http://purl.obolibrary.org/obo/CHEBI_29973 3_STAR
CHEBI:29974 biolink:ChemicalSubstance D-glutamate residue phenio.json D-Glu(-)|D-glutamate residue http://purl.obolibrary.org/obo/CHEBI_29974 3_STAR
CHEBI:29976 biolink:ChemicalSubstance D-tyrosine residue phenio.json D-Tyr|D-tyrosine acid residue|D-tyrosine residue|D-tyrosyl|DTyr http://purl.obolibrary.org/obo/CHEBI_29976 3_STAR
CHEBI:29979 biolink:ChemicalSubstance L-histidine residue RESID:AA0009 phenio.json -His-|H|His|L-histidine|L-histidine base residue|L-histidine residue|L-histidyl http://purl.obolibrary.org/obo/CHEBI_29979 3_STAR
CHEBI:29980 biolink:ChemicalSubstance D-histidine residue phenio.json -D-His-|D-His|D-histidine base residue|D-histidine residue|D-histidyl|DHis http://purl.obolibrary.org/obo/CHEBI_29980 3_STAR
CHEBI:29981 biolink:ChemicalSubstance D-histidinium residue phenio.json -D-HisH(+)-|D-HisH(+)|D-histidinium residue http://purl.obolibrary.org/obo/CHEBI_29981 3_STAR
CHEBI:29982 biolink:ChemicalSubstance L-histidinium residue phenio.json -HisH(+)-|HisH(+)|L-histidinium residue http://purl.obolibrary.org/obo/CHEBI_29982 3_STAR
CHEBI:29984 biolink:ChemicalSubstance D-methionine residue RESID:AA0193 phenio.json -D-Met-|D-Met|D-methionine residue|D-methionyl|DMet http://purl.obolibrary.org/obo/CHEBI_29984 3_STAR
CHEBI:29985 biolink:ChemicalSubstance L-glutamate(1-) An alpha-amino-acid anion that is the conjugate base of L-glutamic acid, having anionic carboxy groups and a cationic amino group CAS:11070-68-1|Gmelin:936654|MetaCyc:GLT phenio.json (2S)-2-ammoniopentanedioate|L-glutamate|L-glutamate(1-)|L-glutamic acid monoanion|L-glutamic acid, ion(1-)|hydrogen L-glutamate http://purl.obolibrary.org/obo/CHEBI_29985 3_STAR
CHEBI:29986 biolink:ChemicalSubstance D-glutamate(1-) An alpha-amino-acid anion that is the conjugate base of D-glutamic acid, having anionic carboxy groups and a cationic amino group Beilstein:8319427|MetaCyc:D-GLT phenio.json (2R)-2-ammoniopentanedioate|D-glutamate|D-glutamate(1-)|D-glutamic acid monoanion|hydrogen D-glutamate http://purl.obolibrary.org/obo/CHEBI_29986 3_STAR
CHEBI:29987 biolink:ChemicalSubstance glutamate(2-) A dicarboxylic acid dianion that is the conjugate base of glutamate(1-). Gmelin:327903|Reaxys:4134100 phenio.json 2-aminopentanedioate|glutamate|glutamate(2-)|glutamic acid dianion http://purl.obolibrary.org/obo/CHEBI_29987 3_STAR
CHEBI:29988 biolink:ChemicalSubstance L-glutamate(2-) An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid. Gmelin:327905 phenio.json (2S)-2-aminopentanedioate|L-glutamate|L-glutamate(2-)|L-glutamic acid dianion http://purl.obolibrary.org/obo/CHEBI_29988 3_STAR
CHEBI:29989 biolink:ChemicalSubstance D-glutamate(2-) Beilstein:8143000|Gmelin:327904 phenio.json (2R)-2-aminopentanedioate|D-glutamate|D-glutamate(2-)|D-glutamic acid dianion http://purl.obolibrary.org/obo/CHEBI_29989 3_STAR
CHEBI:29990 biolink:ChemicalSubstance D-aspartate(1-) An aspartate(1-) that is the conjugate base of D-aspartic acid. Reaxys:8316944 phenio.json (2R)-2-ammoniobutanedioate|(2R)-2-ammoniosuccinate|D-aspartate|D-aspartate(1-)|D-aspartic acid monoanion|hydrogen D-aspartate http://purl.obolibrary.org/obo/CHEBI_29990 3_STAR
CHEBI:29991 biolink:ChemicalSubstance L-aspartate(1-) An aspartate(1-) that is the conjugate base of L-aspartic acid. Gmelin:327374|Reaxys:15801578 phenio.json (2S)-2-ammoniobutanedioate|(2S)-2-ammoniosuccinate|L-aspartate|L-aspartate(1-)|L-aspartic acid monoanion|hydrogen L-aspartate http://purl.obolibrary.org/obo/CHEBI_29991 3_STAR
CHEBI:29993 biolink:ChemicalSubstance L-aspartate(2-) An aspartate(2-) that is the conjugate base of L-aspartate(1-). Gmelin:327367|Reaxys:4133557 phenio.json (2S)-2-aminobutanedioate|(2S)-2-aminosuccinate|L-aspartate|L-aspartate(2-)|L-aspartic acid dianion http://purl.obolibrary.org/obo/CHEBI_29993 3_STAR
CHEBI:29994 biolink:ChemicalSubstance D-aspartate(2-) An aspartate(2-) that is the conjugate base of D-aspartate(1-). Gmelin:327368|Reaxys:14495011 phenio.json (2R)-2-aminobutanedioate|(2R)-2-aminosuccinate|D-aspartate|D-aspartate(2-)|D-aspartic acid dianion http://purl.obolibrary.org/obo/CHEBI_29994 3_STAR
CHEBI:29995 biolink:ChemicalSubstance aspartate(2-) A C4-dicarboxylate that is the dianion obtained by the deprotonation of both the carboxy groups of aspartic acid. phenio.json 2-aminobutanedioate|2-aminosuccinate|aspartate|aspartate(2-)|aspartic acid dianion http://purl.obolibrary.org/obo/CHEBI_29995 3_STAR
CHEBI:29998 biolink:ChemicalSubstance D-serine residue RESID:AA0195 phenio.json -D-Ser-|D-Ser|D-serine|D-serine residue|D-seryl|DSer http://purl.obolibrary.org/obo/CHEBI_29998 3_STAR
CHEBI:29999 biolink:ChemicalSubstance L-serine residue A serine residue that has L configuration. RESID:AA0016 phenio.json -Ser-|L-serine|L-serine residue|L-seryl|S|Ser http://purl.obolibrary.org/obo/CHEBI_29999 3_STAR
CHEBI:30000 biolink:ChemicalSubstance L-selenocysteine residue RESID:AA0022 phenio.json -Sec-|L-selenocysteine|L-selenocysteine acid residue|L-selenocysteine residue|L-selenocysteinyl|SeCys|Sec|U http://purl.obolibrary.org/obo/CHEBI_30000 3_STAR
CHEBI:30001 biolink:ChemicalSubstance D-selenocysteine Beilstein:6965000 phenio.json (2S)-2-amino-3-selanylpropanoic acid|D-Selenocystein|D-Selenozystein|D-selenocysteine http://purl.obolibrary.org/obo/CHEBI_30001 3_STAR
CHEBI:30002 biolink:ChemicalSubstance D-selenocysteine residue phenio.json -D-Sec-|D-Sec|D-selenocysteine acid residue|D-selenocysteine residue|D-selenocysteinyl|DSec http://purl.obolibrary.org/obo/CHEBI_30002 3_STAR
CHEBI:30003 biolink:ChemicalSubstance L-selenocysteinate residue phenio.json -Sec(-)-|L-selenocysteinate residue|Sec(-) http://purl.obolibrary.org/obo/CHEBI_30003 3_STAR
CHEBI:30004 biolink:ChemicalSubstance D-selenocysteinate residue phenio.json -D-Sec(-)-|D-Sec(-)|D-selenocysteinate residue|DSec(-) http://purl.obolibrary.org/obo/CHEBI_30004 3_STAR
CHEBI:3001 biolink:ChemicalSubstance beclomethasone A 17alpha-hydroxy steroid that is prednisolone in which the hydrogens at the 9alpha and 16beta positions are substituted by a chlorine and a methyl group, respectively. CAS:4419-39-0|DrugBank:DB00394|KEGG:C06842|KEGG:D07495|Patent:GB912378|Reaxys:5640546 phenio.json (11beta,16beta)-9-chloro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione|9-chloro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione|9alpha-chloro-16beta-methylprednisolone|Beclomethasone|beclometasona|beclometasone|beclometasonum http://purl.obolibrary.org/obo/CHEBI_3001 3_STAR
CHEBI:30011 biolink:ChemicalSubstance L-glutamine residue RESID:AA0007 phenio.json -Gln-|Gln|Glu(NH2)|L-glutamine|L-glutamine residue|L-glutaminyl|Q http://purl.obolibrary.org/obo/CHEBI_30011 3_STAR
CHEBI:30013 biolink:ChemicalSubstance L-threonine residue RESID:AA0017 phenio.json -Thr-|L-threonine|L-threonine residue|L-threonyl|T|Thr http://purl.obolibrary.org/obo/CHEBI_30013 3_STAR
CHEBI:30014 biolink:ChemicalSubstance D-threonine residue phenio.json -D-Thr-|D-Thr|D-threonine residue|D-threonyl|DThr http://purl.obolibrary.org/obo/CHEBI_30014 3_STAR
CHEBI:30018 biolink:ChemicalSubstance D-proline residue phenio.json -D-Pro-|D-Pro|D-proline residue|D-prolyl|DPro http://purl.obolibrary.org/obo/CHEBI_30018 3_STAR
CHEBI:30021 biolink:ChemicalSubstance L-selenomethionine The L-enantiomer of selenomethionine. CAS:3211-76-5|Drug_Central:3544|HMDB:HMDB0003966|KEGG:C05335|PDBeChem:MSE|PMID:21494803|PMID:25075569|PMID:30306604|PMID:31344537|PMID:31470549 phenio.json (2S)-2-amino-4-(methylseleno)butanoic acid|L-selenomethionine http://purl.obolibrary.org/obo/CHEBI_30021 3_STAR
CHEBI:30022 biolink:ChemicalSubstance D-selenomethionine The D-enantiomer of selenomethionine. phenio.json (2R)-2-amino-4-(methylseleno)butanoic acid|D-selenomethionine http://purl.obolibrary.org/obo/CHEBI_30022 3_STAR
CHEBI:30023 biolink:ChemicalSubstance trans-sinapate A member of the class of cinnamates that is the conjugate base of trans-sinapic acid. phenio.json (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate|(E)-sinapate|3,5-dimethoxy-4-hydroxycinnamate|Sinapate http://purl.obolibrary.org/obo/CHEBI_30023 3_STAR
CHEBI:30031 biolink:ChemicalSubstance succinate(2-) A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of succinic acid. CAS:56-14-4|Gmelin:240255|MetaCyc:SUC|PMID:17190852|Reaxys:1863859|UM-BBD_compID:c0312 phenio.json (-)OOC-CH2-CH2-COO(-)|butanedioate|butanedioic acid, ion(2-)|succinate http://purl.obolibrary.org/obo/CHEBI_30031 3_STAR
CHEBI:30037 biolink:ChemicalSubstance taxa-4,11-diene A diterpene consisting of taxane having two C=C double bonds at the 4(5)- and 11(12)-positions. CAS:163594-75-0|KEGG:C11894|KNApSAcK:C00000900|LIPID_MAPS_instance:LMPR0104390002|Reaxys:10366609 phenio.json Taxa-4(5),11(12)-diene|Taxa-4,11-diene|taxa-4(5),11(12)-diene|taxa-4,11-diene http://purl.obolibrary.org/obo/CHEBI_30037 3_STAR
CHEBI:30038 biolink:ChemicalSubstance taxa-4(20),11-dien-5alpha-ol CAS:178888-02-3|KEGG:C11895 phenio.json Taxa-4(20),11(12)-dien-5alpha-ol|Taxa-4(20),11-dien-5alpha-ol|taxa-4(20),11-dien-5alpha-ol http://purl.obolibrary.org/obo/CHEBI_30038 3_STAR
CHEBI:30041 biolink:ChemicalSubstance taxa-4(20),11-dien-5alpha,13alpha-diol A taxane diterpenoid that is taxane which contains double bounds at the 4-20 and 11-12 positions and which is substituted by hydroxy groups at the 5alpha and 13alpha positions. CAS:357436-25-0|KEGG:C11897|LIPID_MAPS_instance:LMPR0104390005|MetaCyc:TAXA-42011-DIEN-5A13A-DIOL phenio.json (5alpha,13alpha)-taxa-4(20),11-diene-5,13-diol|Taxa-4(20),11(12)-dien-5alpha,13alpha-diol|taxa-4(20),11(12)-dien-5alpha,13alpha-diol|taxa-4(20),11-dien-5alpha,13alpha-diol http://purl.obolibrary.org/obo/CHEBI_30041 3_STAR
CHEBI:30042 biolink:ChemicalSubstance taxa-4(20),11-dien-5alpha-yl acetate A taxane diterpenoid that is taxane which contains double bounds at the 4-20 and 11-12 positions and which is substituted by an acetoxy group at the 5alpha position. CAS:214628-37-2|KEGG:C11896|LIPID_MAPS_instance:LMPR0104390004|MetaCyc:TAXA-42011-DIEN-5-ALPHA-YL-ACETATE phenio.json (5alpha)-taxa-4(20),11-dien-5-yl acetate|taxa-4(20),11(12)-dien-5alpha-yl acetate|taxa-4(20),11-dien-5alpha-yl acetate|taxa-4(20),11-dien-5alphayl acetate http://purl.obolibrary.org/obo/CHEBI_30042 3_STAR
CHEBI:30043 biolink:ChemicalSubstance terephthalate(2-) A dicarboxylic acid dianion obtained by the deprotonation of the carboxy groups of terephthalic acid. Beilstein:3590515|CAS:3198-30-9|Gmelin:328024|KEGG:C06337|MetaCyc:TEREPHTHALATE|UM-BBD_compID:c0184 phenio.json 1,4-benzenedicarboxylate|1,4-benzenedicarboxylic acid, ion(2-)|benzene-1,4-dicarboxylate|terephthalate http://purl.obolibrary.org/obo/CHEBI_30043 3_STAR
CHEBI:30049 biolink:ChemicalSubstance teichoic acid Bacterial polysaccharide derivatives of glycerol phosphate or ribitol phosphate linked via phosphodiester bonds, whose main function is to fortify the cell wall. In some parasites, they serve as a site of attachment to mucosal membranes. KEGG:C06707|PMID:18327271|PMID:19229300|PMID:19899094|Wikipedia:Teichoic_acid phenio.json TAs|teichoic acids http://purl.obolibrary.org/obo/CHEBI_30049 3_STAR
CHEBI:30052 biolink:ChemicalSubstance copper(0) CAS:7440-50-8 phenio.json Cu(0)|Cun|copper|copper(0) http://purl.obolibrary.org/obo/CHEBI_30052 3_STAR
CHEBI:30065 biolink:ChemicalSubstance thioglycolic acid Beilstein:506166|CAS:68-11-1|Gmelin:101048|KEGG:C02086|PDBeChem:MCR phenio.json 2-mercaptoacetic acid|2-thioglycolic acid|Mercaptoacetic acid|Mercaptoessigsaeure|Mercaptoethanoic acid|Merkaptoessigsaeure|SULFANYLACETIC ACID|Thioglycolic acid|Thioglykolsaeure|alpha-mercaptoacetic acid|sulfanylacetic acid http://purl.obolibrary.org/obo/CHEBI_30065 3_STAR
CHEBI:30066 biolink:ChemicalSubstance thioglycolate(1-) Beilstein:3903690|Gmelin:324390 phenio.json mercaptoacetate|sulfanylacetate|thioglycolate|thioglycollate http://purl.obolibrary.org/obo/CHEBI_30066 3_STAR
CHEBI:3008 biolink:ChemicalSubstance bellidifolin A member of the xanthone family that is bellidin substituted with a methyl group at O-3. A natural product found particularly in Swertia chirata and Gentianella campestris. CAS:2798-25-6|CBA:344058|KEGG:C10053|KNApSAcK:C00002943|PMID:15490334|PMID:18336006|PMID:18446672|PMID:19962285|PMID:20614821|PMID:21985644|PMID:7480198|PMID:7809201|Reaxys:288441 phenio.json 1,5,8-trihydroxy-3-methoxy-9H-xanthen-9-one|3-Methoxy-1,5,8-trihydroxyxanthone|Bellidifoline|Bellidifolium http://purl.obolibrary.org/obo/CHEBI_3008 3_STAR
CHEBI:30087 biolink:ChemicalSubstance guanidinium Beilstein:1902006|Gmelin:239627 phenio.json [C(NH2)3](+)|diaminomethaniminium|guanidine|guanidinium http://purl.obolibrary.org/obo/CHEBI_30087 3_STAR
CHEBI:30088 biolink:ChemicalSubstance gibberellin A12 A C20-gibberellin, initially identified in Gibberella fujikuroi, in which the gibbane skeleton carries 1beta- and 4aalpha-methyl groups, 1alpha- and 10beta-carboxy substituents, and a methylene group at C-8 (all gibbane numberings). CAS:1164-45-0|KEGG:C11857|KNApSAcK:C00000012|LIPID_MAPS_instance:LMPR0104170014 phenio.json (1R,2S,3S,4R,8S,9S,12R)-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.0(1,9).0(3,8)]pentadecane-2,4-dicarboxylic acid|1beta,4a-dimethyl-8-methylidene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid|GA12|Gibberellin A12|Gibberellin-A-12|gibberellin 12 http://purl.obolibrary.org/obo/CHEBI_30088 3_STAR
CHEBI:30089 biolink:ChemicalSubstance acetate A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid. CAS:71-50-1|DrugBank:DB03166|Gmelin:1379|KEGG:C00033|MetaCyc:ACET|PDBeChem:ACT|PMID:17190852|PMID:22211106|PMID:22371380|Reaxys:1901470|UM-BBD_compID:c0050|Wikipedia:Acetate phenio.json ACETATE ION|Azetat|CH3-COO(-)|Ethanoat|MeCO2 anion|acetate|acetic acid, ion(1-)|ethanoate http://purl.obolibrary.org/obo/CHEBI_30089 3_STAR
CHEBI:30095 biolink:ChemicalSubstance hydrazinide phenio.json H2NNH(-)|diazanide|hydrazinide http://purl.obolibrary.org/obo/CHEBI_30095 3_STAR
CHEBI:30096 biolink:ChemicalSubstance diazene CAS:3618-05-1|KEGG:C05360 phenio.json Diimide|HN=NH|diazene http://purl.obolibrary.org/obo/CHEBI_30096 3_STAR
CHEBI:30099 biolink:ChemicalSubstance diazynediium phenio.json HNNH(2+)|[HNNH](2+)|diazynediium http://purl.obolibrary.org/obo/CHEBI_30099 3_STAR
CHEBI:30100 biolink:ChemicalSubstance hydrazine-1,2-diide phenio.json HNNH(2-)|[HNNH](2-)|diazane-1,2-diide|hydrazine-1,2-diide http://purl.obolibrary.org/obo/CHEBI_30100 3_STAR
CHEBI:30101 biolink:ChemicalSubstance hydrazine-1,1-diide phenio.json H2NN(2-)|[NNH2](2-)|diazane-1,1-diide|hydrazine-1,1-diide http://purl.obolibrary.org/obo/CHEBI_30101 3_STAR
CHEBI:30102 biolink:ChemicalSubstance diazynium CAS:12357-66-3 phenio.json HN2+|N#NH(+)|diazynium http://purl.obolibrary.org/obo/CHEBI_30102 3_STAR
CHEBI:30103 biolink:ChemicalSubstance diazenide phenio.json N=NH(-)|diazenide http://purl.obolibrary.org/obo/CHEBI_30103 3_STAR
CHEBI:30104 biolink:ChemicalSubstance diazanetriide phenio.json NNH(3-)|diazanetriide|hydrazinetriide http://purl.obolibrary.org/obo/CHEBI_30104 3_STAR
CHEBI:30106 biolink:ChemicalSubstance azo group phenio.json -N=N-|azo|diazene-1,2-diyl|diazenediyl http://purl.obolibrary.org/obo/CHEBI_30106 3_STAR
CHEBI:3011 biolink:ChemicalSubstance benazepril A benzazepine that is benazeprilat in which the carboxy group of the 2-amino-4-phenylbutanoic acid moiety has been converted to the corresponding ethyl ester. It is used (generally as its hydrochloride salt) as a prodrug for the angiotensin-converting enzyme inhibitor benazeprilat in the treatment of hypertension and heart failure. CAS:86541-75-5|DrugBank:DB00542|Drug_Central:299|HMDB:HMDB0014682|KEGG:C06843|KEGG:D07499|LINCS:LSM-5609|MetaCyc:CPD-15329|PMID:25224804|PMID:25738503|PMID:25784709|PMID:25912588|Patent:EP72352|Patent:US4410520|Reaxys:4302258|Wikipedia:Benazepril phenio.json 1H-1-Benzazepine-1-acetic acid, 3-((1-(ethoxycarbonyl)-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-, (S-(R*,R*))-|Benazepril|[(3S)-3-{[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino}-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]acetic acid|benazepril|benazeprilum http://purl.obolibrary.org/obo/CHEBI_3011 3_STAR
CHEBI:30114 biolink:ChemicalSubstance aluminium trichloride CAS:7446-70-0|Gmelin:1876 phenio.json AlCl3|Aluminum chloride anhydrous|Aluminum trichloride|[AlCl3]|aluminium trichloride|aluminium(3+) chloride|aluminium(III) chloride|trichloridoaluminium|trichloroalumane http://purl.obolibrary.org/obo/CHEBI_30114 3_STAR
CHEBI:3013 biolink:ChemicalSubstance bendroflumethiazide A sulfonamide consisting of 7-sulfamoyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position 6 is substituted by a trifluoromethyl group and that at position 3 is substituted by a benzyl group. CAS:73-48-3|DrugBank:DB00436|Drug_Central:305|KEGG:C07758|KEGG:D00650|LINCS:LSM-1816|PMID:19056282|Patent:GB863474|Patent:US3392168|Reaxys:373316|Wikipedia:Bendroflumethiazide phenio.json +--3-benzyl-3,4-dihydro-6-(trifluoromethyl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|3-benzyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-trifluoromethyl-3-benzyl-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide|Bendroflumethiazide|bendrofluazide|bendroflumethiazide|bendroflumethiazidum|bendroflumetiazida|benzhydroflumethiazide http://purl.obolibrary.org/obo/CHEBI_3013 3_STAR
CHEBI:30145 biolink:ChemicalSubstance lithium atom CAS:7439-93-2|WebElements:Li phenio.json 3Li|Li|Lithium|lithium|litio http://purl.obolibrary.org/obo/CHEBI_30145 3_STAR
CHEBI:3015 biolink:ChemicalSubstance benomyl A member of the class of benzimidazoles that is the methyl ester of [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamic acid. A foliar fungicide used to control a wide range of Ascomycetes and Fungi Imperfecti in a wide range of crops. CAS:17804-35-2|HMDB:HMDB0031767|KEGG:C10896|PMID:15813220|PMID:16903866|PMID:19049291|PMID:24693254|PMID:24782104|PMID:25045800|PMID:25104429|PMID:25145128|PPDB:66|Pesticides:benomyl|Reaxys:825455|Wikipedia:Benomyl phenio.json 1-(Butylcarbamoyl)-2-benzimidazol-methylcarbamat|1-(Butylcarbamoyl)-2-benzimidazolecarbamic acid, methyl ester|1-(N-Butylcarbamoyl)-2-(methoxy-carboxamido)-benzimidazol|Benlate|Benomyl|Methyl 1-(butylamino)carbonyl-1H-benzimidazol-2-ylcarbamate|Methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate|Methyl N-(1-butylcarbamoyl-2-benzimidazole)carbamate|methyl [1-(butylcarbamoyl)-1H-benzimidazol-2-yl]carbamate http://purl.obolibrary.org/obo/CHEBI_3015 3_STAR
CHEBI:30154 biolink:ChemicalSubstance 5beta-pregnane-3,20-dione A C21-steroid that is 5beta-pregnane with oxo groups at positions 3 and 20. CAS:128-23-4|DrugBank:DB07557|KEGG:C05479|PDBeChem:CI2|PMID:11292466|PMID:12798477|Reaxys:2058507 phenio.json (5BETA)-PREGNANE-3,20-DIONE|3,20-pregnanedione|5beta-Pregnane-3,20-dione|5beta-dihydroprogesterone|5beta-pregnan-3,20-dione|5beta-pregnane-3,20-dione http://purl.obolibrary.org/obo/CHEBI_30154 3_STAR
CHEBI:30156 biolink:ChemicalSubstance 6,7-dihydropteridine KEGG:C05649 phenio.json 6,7-Dihydropteridine|6,7-dihydropteridine|Dihydropteridine http://purl.obolibrary.org/obo/CHEBI_30156 3_STAR
CHEBI:30157 biolink:ChemicalSubstance borohydride CAS:16971-29-2|Gmelin:47 phenio.json BH4(-)|[BH4](-)|boranuide|tetrahydridoborate(1-)|tetrahydridoborate(III) ion|tetrahydroborate(1-) http://purl.obolibrary.org/obo/CHEBI_30157 3_STAR
CHEBI:30164 biolink:ChemicalSubstance 5-diphospho-1D-myo-inositol pentakisphosphate A myo-inositol pentakisphosphate that consists of 1D-myo-inositol having the five phospho groups located at positions 1, 2, 3, 4 and 6 as well as a diphospho group at position 5. Beilstein:7970481|KEGG:C11526 phenio.json (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate|1,2,3,4,6-pentakis-O-phosphono-1D-myo-inositol 5-(trihydrogen diphosphate)|1D-myo-Inositol 5-diphosphate pentakisphosphate|1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate|1D-myo-inositol 5-diphosphate pentakisphosphate|5-Diphosphoinositol pentakisphosphate|5-PP-InsP5 http://purl.obolibrary.org/obo/CHEBI_30164 3_STAR
CHEBI:30185 biolink:ChemicalSubstance zinc(0) CAS:7440-66-6|DrugBank:DB01593 phenio.json Zn(0)|Znn|zinc|zinc(0) http://purl.obolibrary.org/obo/CHEBI_30185 3_STAR
CHEBI:30199 biolink:ChemicalSubstance trioxidosilicate(.1-) phenio.json SiO3 radical anion|SiO3(.-)|[SiO3](.-)|trioxidosilicate(.1-) http://purl.obolibrary.org/obo/CHEBI_30199 3_STAR
CHEBI:30200 biolink:ChemicalSubstance kaempferol 3-O-beta-D-glucoside A kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage. CAS:480-10-4|HMDB:HMDB0037429|KEGG:C12249|KNApSAcK:C00005138|LIPID_MAPS_instance:LMPK12111725|MetaCyc:CPD1F-453|PMID:21329934|PMID:21466157|PMID:22210036|PMID:22489129|PMID:22766709|Reaxys:1359980|Wikipedia:Astragalin phenio.json 3,4',5,7-Tetrahydroxyflavone-3-glucoside|3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one|4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-glucopyranoside|Astragalin|Kaempferol 3-O-beta-D-glucoside|Kaempferol 3-O-glucoside|astragaline|kaempferol-3-O-beta-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_30200 3_STAR
CHEBI:30212 biolink:ChemicalSubstance photon Particle of zero charge, zero rest mass, spin quantum number 1, energy hnu and momentum hnu/c (h is the Planck constant, nu the frequency of radiation and c the speed of light), carrier of electromagnetic force. KEGG:C00205 phenio.json Lichtquant|Light|foton|gamma|hnu|light quantum|photon http://purl.obolibrary.org/obo/CHEBI_30212 3_STAR
CHEBI:30216 biolink:ChemicalSubstance alpha-particle Nucleus of the (4)He atom. Gmelin:53474 phenio.json (4)He(2+)|alpha|alpha-particle|helium-4(2+) http://purl.obolibrary.org/obo/CHEBI_30216 3_STAR
CHEBI:30217 biolink:ChemicalSubstance helium atom CAS:7440-59-7|Drug_Central:4262|Gmelin:16294|WebElements:He phenio.json 2He|He|Helium|helio|helium http://purl.obolibrary.org/obo/CHEBI_30217 3_STAR
CHEBI:3023 biolink:ChemicalSubstance benzbromarone 1-Benzofuran substituted at C-2 and C-3 by an ethyl group and a 3,5-dibromo-4-hydroxybenzoyl group respectively. An inhibitor of CYP2C9, it is used as an anti-gout medication. Beilstein:273668|CAS:3562-84-3|Drug_Central:318|KEGG:D01056|LINCS:LSM-2239|PMID:18636784|PMID:26693855|PMID:26792818|PMID:27391386|PMID:28131653|PMID:28166217|PMID:28202260|PMID:7661033 phenio.json (3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran-3-yl)methanone|2-ethyl-3-(3,5-dibrom-4-hydroxybenzoyl)benzofuran|3,5-dibromo-4-hydroxyphenyl-2-ethyl-3-benzofuranyl ketone|Benzbromarone|Uroleap (TN) http://purl.obolibrary.org/obo/CHEBI_3023 3_STAR
CHEBI:30232 biolink:ChemicalSubstance abieta-7,13-diene Beilstein:2504776|CAS:35241-40-8|KEGG:C11878|KNApSAcK:C00000868|LIPID_MAPS_instance:LMPR0104050002 phenio.json (-)-Abietadiene|(4aS,4bR,10aS)-7-isopropyl-1,1,4a-trimethyl-1,2,3,4,4a,4b,5,6,10,10a-decahydrophenanthrene|Abietadiene|abieta-7,13-diene http://purl.obolibrary.org/obo/CHEBI_30232 3_STAR
CHEBI:30245 biolink:ChemicalSubstance linoleate An octadecadienoate with cis- double bonds at the 9- and 12- positions; the conjugate base of linoleic acid. CAS:1509-85-9|Gmelin:667201|KEGG:C01595|MetaCyc:LINOLEIC_ACID|Reaxys:4139597 phenio.json (9Z,12Z)-9,12-octadecadienoic acid, ion(1-)|(9Z,12Z)-octadeca-9,12-dienoate|(9Z,12Z)-octadecadienoate|(Z,Z)-9,12-octadecadienoic acid, ion(1-)|cis,cis-9,12-octadecadienoate|cis,cis-linoleate|cis-Delta(9,12)-octadecadienoate|linoleic acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_30245 3_STAR
CHEBI:30248 biolink:ChemicalSubstance beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc A tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and glucose in a linear sequence, all joined by beta-linkages. GlyGen:G45827GY|GlyTouCan:G45827GY|KEGG:C06371|KEGG:G00395|PMID:10420591|PMID:10571152|PMID:11425797|PMID:12950254|PMID:15158661|PMID:16442513|PMID:18280461|PMID:1954629|PMID:2413844|PMID:2776132|PMID:3274083|PMID:6083447|PMID:6194884|PMID:7574700|PMID:7790083|PMID:9271064|Reaxys:4780271 phenio.json (Gal)2 (Glc)1 (GlcNAc)1|Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc|LNT|Lacto-N-tetraose|Lc4|WURCS=2.0/3,4,3/[a2122h-1x_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b3-c1_c3-d1|beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc|beta-D-gal-(1->3)-beta-D-glcNAc-(1->3)-beta-D-gal-(1->4)-D-glc|beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose|beta-Gal1,3-beta-GlcNAc1,3-beta-Gal1,4-Glc|r-Lactotetraose-HSA http://purl.obolibrary.org/obo/CHEBI_30248 3_STAR
CHEBI:30249 biolink:ChemicalSubstance N-formyl-L-kynurenine CAS:1022-31-7|KEGG:C02700|KNApSAcK:C00007605|PDBeChem:NFK|PMID:2827682|Wikipedia:N'-Formylkynurenine phenio.json (2S)-2-amino-4-(2-formamidophenyl)-4-oxobutanoic acid|3-(2-formamidobenzoyl)-L-alanine|L-Formylkynurenine|N'-formylkynurenine|N-Formyl-L-kynurenine|N-Formylkynurenine|N-formylkynurenine http://purl.obolibrary.org/obo/CHEBI_30249 3_STAR
CHEBI:30256 biolink:ChemicalSubstance thiocarbonyl group phenio.json >C=S|carbonothioyl|thiocarbonyl http://purl.obolibrary.org/obo/CHEBI_30256 3_STAR
CHEBI:30260 biolink:ChemicalSubstance cyromazine Beilstein:882879|CAS:66215-27-8|KEGG:C14147|KEGG:D07767|PDBeChem:AX3|PPDB:200|UM-BBD_compID:c0257|VSDB:200 phenio.json 2,4-diamino-6-(cyclopropylamino)-s-triazine|2-Cyclopropylamino-4,6-diamino-s-triazine|Cyclopropylmelamine|Cyromazine|Larvadex|N(2)-cyclopropyl-1,3,5-triazine-2,4,6-triamine|N-cyclopropyl-1,3,5-triazine-2,4,6-triamine|N-cyclopropylmelamine|Trigard|Vetrazin http://purl.obolibrary.org/obo/CHEBI_30260 3_STAR
CHEBI:30297 biolink:ChemicalSubstance antimonite A trivalent inorganic anion obtained by removal of all three protons from antimonous acid. PMID:17419726 phenio.json SbO3(3-)|[SbO3](3-)|antimonite|trioxidoantimonate(3-)|trioxoantimonate(3-)|trioxoantimonate(III) http://purl.obolibrary.org/obo/CHEBI_30297 3_STAR
CHEBI:30305 biolink:ChemicalSubstance N-methylanthraniloyl-CoA An aroyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of N-methylanthranilic acid. KEGG:C12092|PMID:11054106|PMID:15680984|PMID:17165930|Reaxys:11032524 phenio.json 3'-phosphoadenosine 5'-{3-[3-hydroxy-2,2-dimethyl-4-({3-[(2-{[2-(methylamino)benzoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}|N-Methylanthraniloyl-CoA|N-methylanthraniloyl-coenzyme A|N-methylanthranilyl-CoA|N-methylanthranilyl-coenzyme A|S-[2-(methylamino)benzoyl]-coenzyme A http://purl.obolibrary.org/obo/CHEBI_30305 3_STAR
CHEBI:30306 biolink:ChemicalSubstance 1,3-dihydroxy-N-methylacridone CAS:28333-02-0|KEGG:C12093 phenio.json 1,3-Dihydroxy-N-methyl-acridone|1,3-dihydroxy-10-methylacridin-9(10H)-one|1,3-dihydroxy-N-methylacridone http://purl.obolibrary.org/obo/CHEBI_30306 3_STAR
CHEBI:30307 biolink:ChemicalSubstance N(alpha)-gamma-L-glutamylhistamine Histamine having a gamma-L-glutamyl group attached to the side-chain nitrogen. KEGG:C04138 phenio.json N(5)-[2-(1H-imidazol-4-yl)ethyl]-L-glutamine|N(alpha)-(L-glutam-5-yl)histamine|N(alpha)-gamma-L-Glutamylhistamine|N(alpha)-gamma-L-glutamylhistamine|N-[2-(1H-imidazol-4-yl)ethyl]-L-glutamine|Nalpha-gamma-L-glutamylhistamine http://purl.obolibrary.org/obo/CHEBI_30307 3_STAR
CHEBI:30308 biolink:ChemicalSubstance meso-2,6-diaminopimelate(2-) The meso-isomer of 2,6-diaminopimelate. KEGG:C00680 phenio.json (2R,6S)-2,6-diaminoheptanedioate|meso-2,6-Diaminoheptanedioate|meso-2,6-Diaminopimelate|meso-2,6-diaminopimelate|meso-Diaminoheptanedioate http://purl.obolibrary.org/obo/CHEBI_30308 3_STAR
CHEBI:30313 biolink:ChemicalSubstance lipoate A thia fatty acid anion that is the conjugate base of lipoic acid; major species at pH 7.3. Gmelin:2110645|Reaxys:4993294 phenio.json 1,2-dithiolane-3-pentanoate|1,2-dithiolane-3-valerate|5-(1,2-dithiolan-3-yl)pentanoate|5-(1,2-dithiolan-3-yl)valerate|5-(dithiolan-3-yl)valerate|5-[1,2]Dithiolan-3-yl-pentanoate|5-[3-(1,2-dithiolanyl)]pentanoate|6,8-thioctate|6,8-thiotate|6-thioctate|6-thiotate|liponate|thioctate http://purl.obolibrary.org/obo/CHEBI_30313 3_STAR
CHEBI:30314 biolink:ChemicalSubstance (R)-lipoic acid The (R)-enantiomer of lipoic acid. A vitamin-like, C8 thia fatty acid with anti-oxidant properties. Beilstein:81851|CAS:1200-22-2|CAS:62-46-4|COMe:MOL000161|HMDB:HMDB0001451|KEGG:C00725|KEGG:C16241|KNApSAcK:C00000754|LIPID_MAPS_instance:LMFA01130001|MetaCyc:LIPOIC-ACID|PMID:10218658|PMID:14991456|PMID:15157071|PMID:9252495|Wikipedia:Lipoic_acid phenio.json (+)-alpha-Lipoic acid|(R)-(+)-Lipoate|(R)-(+)-lipoic acid|(R)-1,2-Dithiolane-3-pentanoic acid|(R)-1,2-dithiolane-3-valeric acid|(R)-6,8-thioctic acid|5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid|Lipoic acid|R-(+)-Lipoic acid|R-LA|RLA|Thioctic acid|Thioctic acid d-form|alpha-Lipoic acid http://purl.obolibrary.org/obo/CHEBI_30314 3_STAR
CHEBI:30316 biolink:ChemicalSubstance dihydrolipoate The conjugate base of dihydrolipoic acid. Gmelin:603189|PMID:1345759 phenio.json 6,8-bis-sulfanyloctanoate|6,8-dihydrothioctate|6,8-dimercaptooctanoate|6,8-disulfanyloctanoate|dihydro-alpha-lipoate|dihydrolipoate http://purl.obolibrary.org/obo/CHEBI_30316 3_STAR
CHEBI:3032 biolink:ChemicalSubstance benzonatate The ester obtained by formal condensation of 4-butylaminobenzoic acid with nonaethylene glycol monomethyl ether. Structurally related to procaine and benzocaine, it has an anaesthetic effect on the stretch sensors in the lungs, and is used as a non-narcotic cough suppressant. CAS:104-31-4|DrugBank:DB00868|HMDB:HMDB0015006|KEGG:D00242|LINCS:LSM-4052|PMID:15445814|PMID:19121573|PMID:21673569|PMID:7223452|Patent:US2714608|Patent:WO2012054067|Reaxys:6897154|Wikipedia:Benzonatate phenio.json 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate|2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl p-(butylamino)benzoate|2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate|3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate|4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester|benzonatate|benzonatato|benzonatatum|benzononatine|nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate|p-butylaminobenzoic acid omega-O-methylnonaethyleneglycol ester http://purl.obolibrary.org/obo/CHEBI_3032 3_STAR
CHEBI:30320 biolink:ChemicalSubstance thioacetate Beilstein:1848542|Beilstein:3903387|CAS:29632-72-2|Gmelin:323277 phenio.json Thioacetat|ethanethioate|thioacetate http://purl.obolibrary.org/obo/CHEBI_30320 3_STAR
CHEBI:30322 biolink:ChemicalSubstance 3-acetamidopropanal Beilstein:4364596|KEGG:C18170 phenio.json 3-acetamidopropanal|N-(3-oxopropyl)acetamide http://purl.obolibrary.org/obo/CHEBI_30322 3_STAR
CHEBI:30347 biolink:ChemicalSubstance ethylenediamine An alkane-alpha,omega-diamine in which the alkane is ethane. CAS:107-15-3|Gmelin:1098|HMDB:HMDB0031225|KEGG:D01114|MetaCyc:CPD-3682|PDBeChem:EDN|PMID:21616561|PMID:3692019|PMID:7070713|Reaxys:605263|Wikipedia:Ethylenediamine phenio.json 1,2-ethanediamine|en|ethane-1,2-diamine|ethylenediamine http://purl.obolibrary.org/obo/CHEBI_30347 3_STAR
CHEBI:30351 biolink:ChemicalSubstance 2,2'-bipyridine A bipyridine in which the two pyridine moieties are linked by a bond between positions C-2 and C-2'. CAS:366-18-7|Chemspider:13867714|Gmelin:3720|Gmelin:936807|MetaCyc:CPD-8819|PDBeChem:0BP|PMID:11564534|PMID:11749322|PMID:15998024|PMID:17497019|PMID:17744054|PMID:20050605|PMID:24061243|PMID:24816007|PMID:24816017|PMID:28640600|PMID:31683694|PMID:32326057|PMID:32672448|PMID:32871080|PMID:33117818|PMID:33544614|Reaxys:113089|Wikipedia:2,2%27-Bipyridine phenio.json 2,2'-Bipyridin|2,2'-bipyridine|2,2'-bipyridyl|2,2'-dipyridine|2,2'-dipyridyl|2-(2-pyridyl)pyridine|alpha,alpha'-bipyridine|alpha,alpha'-bipyridyl|alpha,alpha'-dipyridine|alpha,alpha'-dipyridyl|bpy http://purl.obolibrary.org/obo/CHEBI_30351 3_STAR
CHEBI:30353 biolink:ChemicalSubstance isopropyl group phenio.json (CH3)2CH-|-CH(CH3)2|1-methylethyl|iPr|isopropyl|propan-2-yl|valine side-chain http://purl.obolibrary.org/obo/CHEBI_30353 3_STAR
CHEBI:30356 biolink:ChemicalSubstance isobutyl group phenio.json (CH3)2CH-CH2-|-CH2-CH(CH3)2|2-methylpropan-1-ido|2-methylpropyl|iBu|isobutyl|leucine side-chain http://purl.obolibrary.org/obo/CHEBI_30356 3_STAR
CHEBI:30362 biolink:ChemicalSubstance isopentane An alkane that is butane substituted by a methyl group at position 2. CAS:78-78-4|Gmelin:49318|PMID:21481069|PMID:23904008|PMID:24833189|PMID:24932627|Reaxys:1730723|Wikipedia:Isopentane phenio.json (CH3)2CH-CH2-CH3|1,1,2-trimethylethane|1,1-dimethylpropane|2-methylbutane|R-601a|dimethylethylmethane|iso-C5H12|iso-pentane|isoamylhydride|isopentane http://purl.obolibrary.org/obo/CHEBI_30362 3_STAR
CHEBI:30363 biolink:ChemicalSubstance isobutane An alkane that is propane substituted by a methyl group at position 2. CAS:75-28-5|Gmelin:1301|KEGG:D04623|PMID:24179026|PMID:24464945|Reaxys:1730720|Wikipedia:Isobutane phenio.json (CH3)2CH-CH3|2-methylpropane|E943b|R-600a|isobutane http://purl.obolibrary.org/obo/CHEBI_30363 3_STAR
CHEBI:30366 biolink:ChemicalSubstance imidazolide An organic nitrogen anion that is the conjugate base of 1H-imidazole. CAS:36954-03-7|Gmelin:485724|Reaxys:3536577 phenio.json im|imidazol-1-ide|imidazolide anion http://purl.obolibrary.org/obo/CHEBI_30366 3_STAR
CHEBI:30367 biolink:ChemicalSubstance pyrazol-1-ide Gmelin:323123 phenio.json pyrazol-1-ide|pyrazolide anion|pz http://purl.obolibrary.org/obo/CHEBI_30367 3_STAR
CHEBI:30395 biolink:ChemicalSubstance acetylacetonate Beilstein:3536881|CAS:17272-66-1|Gmelin:2539 phenio.json 2,4-dioxopentan-3-ide|2,4-pentanedione, ion(1-)|acac|acetyl acetonate|acetylacetonate http://purl.obolibrary.org/obo/CHEBI_30395 3_STAR
CHEBI:30407 biolink:ChemicalSubstance 4-phospho-L-aspartate An L-alpha-amino acid anion arsing from deprotonation of the carboxy and phosphate OH groups of 4-phospho-L-aspartic acid. phenio.json (2S)-2-amino-4-oxo-4-(phosphonatooxy)butanoate|4-phospho-L-aspartate http://purl.obolibrary.org/obo/CHEBI_30407 3_STAR
CHEBI:30408 biolink:ChemicalSubstance iron-sulfur cluster An iron-sulfur cluster is a unit comprising two or more iron atoms and bridging sulfur ligands. COMe:BIM000452|KEGG:C00824 phenio.json Fe-S clusters|Iron-sulfur|Iron-sulfur cluster|[nFe-xS]|iron-sulfur cluster|iron-sulfur clusters http://purl.obolibrary.org/obo/CHEBI_30408 3_STAR
CHEBI:30409 biolink:ChemicalSubstance iron-sulfur-molybdenum cofactor A molybdenum coordination entity consisting of a {Mo:7Fe:9S:C]:homocitrate cluster, having carbide(4-) at its centre. Active site of the enzyme nitrogenase (EC 1.18.6.1). COMe:MOL000083|PMID:22096190|PMID:22096198|PMID:23019652|PMID:23514429 phenio.json FeMo cofactor|FeMoco|[7Fe-Mo-9S-C-homocitryl] cluster http://purl.obolibrary.org/obo/CHEBI_30409 3_STAR
CHEBI:30411 biolink:ChemicalSubstance cobalamin A cobalt-corrinoid hexaamide that is cobalamin with the oxidation state of the central cobalt atom unspecified. COMe:MOL000036|PDBeChem:B12|PMID:11371572|PMID:15181872 phenio.json COBALAMIN|Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-cobamide|cobalamin http://purl.obolibrary.org/obo/CHEBI_30411 3_STAR
CHEBI:30412 biolink:ChemicalSubstance monoatomic dication KEGG:C00572 phenio.json Divalent cation|divalent inorganic cations|monoatomic dications http://purl.obolibrary.org/obo/CHEBI_30412 3_STAR
CHEBI:30413 biolink:ChemicalSubstance heme A heme is any tetrapyrrolic chelate of iron. COMe:MOL000025|DrugBank:DB03014|KEGG:C00032 phenio.json Haem|haem|haeme|hem|heme|hemes|hemos http://purl.obolibrary.org/obo/CHEBI_30413 3_STAR
CHEBI:30436 biolink:ChemicalSubstance tetrahydropterin phenio.json tetrahydropteridines|tetrahydropterins http://purl.obolibrary.org/obo/CHEBI_30436 3_STAR
CHEBI:30441 biolink:ChemicalSubstance germanium atom CAS:7440-56-4|WebElements:Ge phenio.json 32Ge|Ge|germanio|germanium http://purl.obolibrary.org/obo/CHEBI_30441 3_STAR
CHEBI:30452 biolink:ChemicalSubstance tellurium atom CAS:13494-80-9|Gmelin:16309|WebElements:Te phenio.json 52Te|Te|Tellur|tellure|tellurium|teluro http://purl.obolibrary.org/obo/CHEBI_30452 3_STAR
CHEBI:30465 biolink:ChemicalSubstance tellurous acid Gmelin:25627 phenio.json H2TeO3|[TeO(OH)2]|dihydroxidooxidotellurium|tellurige Saeure|tellurous acid http://purl.obolibrary.org/obo/CHEBI_30465 3_STAR
CHEBI:30475 biolink:ChemicalSubstance tin(2+) CAS:22541-90-8|Gmelin:6867 phenio.json Sn(2+)|Tin, ion (Sn2+)|tin(2+)|tin(2+) ion|tin(II) cation http://purl.obolibrary.org/obo/CHEBI_30475 3_STAR
CHEBI:30477 biolink:ChemicalSubstance tellurite CAS:15852-22-9|Gmelin:100741|Wikipedia:Tellurite_(ion) phenio.json TeO3(2-)|Tellurate (TeO3(2-))|[TeO3](2-)|tellurite|trioxidotellurate(2-)|trioxotellurate(2-)|trioxotellurate(IV) http://purl.obolibrary.org/obo/CHEBI_30477 3_STAR
CHEBI:3048 biolink:ChemicalSubstance benzatropine Tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulphonate salt) in the treatment of Parkinson's disease, and to reduce parkinsonism and akathisia side effects of antipsychotic treatments. Beilstein:90688|CAS:86-13-5|DrugBank:DB00245|Drug_Central:333|KEGG:C06846|KEGG:D07511|Patent:US2595405|Wikipedia:Benzatropine phenio.json (3-endo)-3-(diphenylmethoxy)-8-methyl-8-azabicyclo[3.2.1]octane|3alpha-(diphenylmethoxy)-1alphaH,5alphaH-tropane|3alpha-(diphenylmethoxy)tropane|3alpha-benzhydryloxy-8-methyl-8-azabicyclo[3.2.1]octane|3endo-benzhydryloxytropane|Benzatropine|Benztropine|benzatropina|benzatropine|benzatropinum|benzhydryl 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ether|tropine benzohydryl ether http://purl.obolibrary.org/obo/CHEBI_3048 3_STAR
CHEBI:30485 biolink:ChemicalSubstance selenonium Gmelin:557990 phenio.json H3Se(+)|[SeH3](+)|selanium|selenonium|trihydridoselenium(1+) http://purl.obolibrary.org/obo/CHEBI_30485 3_STAR
CHEBI:30488 biolink:ChemicalSubstance sulfonium CAS:18155-21-0|Gmelin:307 phenio.json H3S(+)|H3S+|[SH3](+)|sulfanium|sulfonium|sulphonium|trihydridosulfur(1+) http://purl.obolibrary.org/obo/CHEBI_30488 3_STAR
CHEBI:30501 biolink:ChemicalSubstance beryllium atom Alkaline earth metal atom with atomic number 4. CAS:7440-41-7|Gmelin:16265|PMID:10858219|PMID:11897645|PMID:14643414|PMID:16951350|PMID:18250483|PMID:18768897|PMID:24912188|Reaxys:14617151|WebElements:Be phenio.json 4Be|Be|Beryllium|berilio|beryllium http://purl.obolibrary.org/obo/CHEBI_30501 3_STAR
CHEBI:30512 biolink:ChemicalSubstance silver atom CAS:7440-22-4|WebElements:Ag phenio.json 47Ag|Ag|Silber|argent|argentum|plata|silver http://purl.obolibrary.org/obo/CHEBI_30512 3_STAR
CHEBI:30513 biolink:ChemicalSubstance antimony atom WebElements:Sb phenio.json 51Sb|Antimon|Sb|antimoine|antimonio|antimony|stibium http://purl.obolibrary.org/obo/CHEBI_30513 3_STAR
CHEBI:30514 biolink:ChemicalSubstance caesium atom WebElements:Cs phenio.json 55Cs|Caesium|Cs|Zaesium|caesium|cesio|cesium http://purl.obolibrary.org/obo/CHEBI_30514 3_STAR
CHEBI:30526 biolink:ChemicalSubstance 1-aminocyclopropanecarboxylate An alpha-amino-acid anion resulting from the deprotonation of the carboxy group of 1-aminocyclopropanecarboxylic acid. Beilstein:5501203|KEGG:C01234|UM-BBD_compID:c0352 phenio.json 1-aminocyclopropane-1-carboxylate|ACC http://purl.obolibrary.org/obo/CHEBI_30526 3_STAR
CHEBI:30527 biolink:ChemicalSubstance flavin A derivative of the dimethylisoalloxazine (7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione) skeleton, with a substituent on the 10 position. KEGG:C00176 phenio.json Flavin|flavins http://purl.obolibrary.org/obo/CHEBI_30527 3_STAR
CHEBI:30528 biolink:ChemicalSubstance vanadium oxoanion KEGG:C00754 phenio.json Vanadate|vanadium oxoanion|vanadium oxoanions http://purl.obolibrary.org/obo/CHEBI_30528 3_STAR
CHEBI:30531 biolink:ChemicalSubstance pimelic acid An alpha,omega-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5. CAS:111-16-0|DrugBank:DB01856|Gmelin:261058|HMDB:HMDB0000857|KEGG:C02656|KNApSAcK:C00001199|LIPID_MAPS_instance:LMFA01170051|MetaCyc:CPD-205|PDBeChem:PML|PMID:20693992|PMID:21437340|PMID:22770225|PMID:24486440|Reaxys:1210024|Wikipedia:Pimelic_acid phenio.json 1,5-pentanedicarboxylic acid|6-carboxyhexanoic acid|Heptanedioic acid|PIMELIC ACID|Pimelate|Pimelic acid|heptanedioic acid http://purl.obolibrary.org/obo/CHEBI_30531 3_STAR
CHEBI:30563 biolink:ChemicalSubstance silicon dioxide A silicon oxide made up of linear triatomic molecules in which a silicon atom is covalently bonded to two oxygens. BPDB:2487|CAS:7631-86-9|Drug_Central:4284|Gmelin:200274|KEGG:C19572|MolBase:887|PMID:8991630|PPDB:282|Reaxys:3902804|VSDB:2487 phenio.json (SiO2)n|Kieselsaeureanhydrid|SiO2|Silica, amorphous|Siliziumdioxid|[SiO2]|silica|silicic anhydride|silicon dioxide|silicon(IV) oxide http://purl.obolibrary.org/obo/CHEBI_30563 3_STAR
CHEBI:30566 biolink:ChemicalSubstance gamma-aminobutyrate An gamma-amino acid anion resulting from the deprotonation of the carboxy group of gamma-aminobutyric acid. Gmelin:559138|KEGG:C00334|PMID:12509893|Reaxys:3536873 phenio.json 4-Amino-butyrat|4-Aminobutylate|4-aminobutanoate|4-aminobutanoic acid ion (1-)|4-aminobutyrate|gamma-aminobutanoate|gamma-aminobutyrate anion http://purl.obolibrary.org/obo/CHEBI_30566 3_STAR
CHEBI:305790 biolink:ChemicalSubstance thyroxine zwitterion The amino acid zwitterion formed from thyroxine by transfer of a proton from the carboxy group to the amino group. Major species at pH 7.3. phenio.json (2S)-2-azaniumyl-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate|2-Amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propionate|thyroxine http://purl.obolibrary.org/obo/CHEBI_305790 3_STAR
CHEBI:30584 biolink:ChemicalSubstance silicon(4+) phenio.json Si(4+)|silicon(4+)|silicon(4+) ion|silicon(IV) cation http://purl.obolibrary.org/obo/CHEBI_30584 3_STAR
CHEBI:3061 biolink:ChemicalSubstance bepridil A tertiary amine in which the substituents on nitrogen are benzyl, phenyl and 3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl. Beilstein:5993674|CAS:64706-54-3|DrugBank:DB01244|Drug_Central:342|KEGG:C06847|KEGG:D07520|LINCS:LSM-1898|Wikipedia:Bepridil phenio.json Bepadin|Bepridil|N-benzyl-N-[3-(2-methylpropoxy)-2-(pyrrolidin-1-yl)propyl]aniline http://purl.obolibrary.org/obo/CHEBI_3061 3_STAR
CHEBI:30612 biolink:ChemicalSubstance D-glucarate(2-) Dicarboxylate anion of D-glucaric acid; major species at pH 7.3. Beilstein:3909239|Gmelin:407929|KEGG:C00818|PDBeChem:GKR phenio.json (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate|D-GLUCARATE|D-glucarate http://purl.obolibrary.org/obo/CHEBI_30612 3_STAR
CHEBI:30613 biolink:ChemicalSubstance glucarate(2-) A glucaric acid anion that is the dianion obtained by the deprotonation of both the carboxy groups of glucaric acid. phenio.json glucarate http://purl.obolibrary.org/obo/CHEBI_30613 3_STAR
CHEBI:30614 biolink:ChemicalSubstance benzo[a]pyrene diol epoxide I Beilstein:1353131|CAS:55097-80-8|CAS:58917-67-2|KEGG:C14853 phenio.json 7,8,8a,9a-tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene-7,8-diol|7,8,8a,9a-tetrahydrobenzo[10,11]chryseno[3,4-b]oxirene-7,8-diol|7,8-Dihydro-7,8-dihydroxybenzo[a]pyrene 9,10-oxide|BP 7,8-Diol-9,10-epoxide 2|BPDE|Benzo(a)pyrene diol epoxide|benzo(a)pyrene diolepoxide I|benzo[a]pyrene-7,8-dihydrodiol-9,10-oxide http://purl.obolibrary.org/obo/CHEBI_30614 3_STAR
CHEBI:30616 biolink:ChemicalSubstance ATP(4-) A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of ATP; major species present at pH 7.3. Beilstein:3581767|Gmelin:342798 phenio.json ATP|adenosine 5'-triphosphate(4-)|atp http://purl.obolibrary.org/obo/CHEBI_30616 3_STAR
CHEBI:30619 biolink:ChemicalSubstance 2,4-divinyl protochlorophyllide a A protochlorophyllide compound having vinyl substituents at the 2- and 4-positions. Beilstein:7511448|CAS:18433-30-2|KEGG:C11831 phenio.json 2,4-Divinylprotochlorophyllide|Divinyl protochlorophyllide|Divinylprotochlorophyllide|Mg-2,4-Divinyl-phaeoporphyrin a5-monomethylester|Mg-2,4-Divinylpheoporphyrin|{3-[(21R)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9,14-divinyl-3,4-didehydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium http://purl.obolibrary.org/obo/CHEBI_30619 3_STAR
CHEBI:30621 biolink:ChemicalSubstance diarsenic trioxide An arsenic oxide in which arsenic and oxygen atoms are present in the ratio 2:3. CAS:1327-53-3|DrugBank:DB01169|Gmelin:35185|KEGG:D02106|PMID:11585900|PMID:17178007|PMID:17286223|PMID:24993472|PMID:25042713|PMID:25436934|PMID:25444910|PMID:25577250|PMID:25627637|Reaxys:16502683|Wikipedia:Arsenic_trioxide phenio.json Acide arsenieux|Anhydride arsenieux|Arsenic blanc|Arsenic trioxide|Arsenigen saure|Arsenous oxide|Arsenous oxide anhydride|As2O3|Diarsenic oxide|White arsenic|arsenic(III) oxide|diarsenic trioxide|tricyclo[3.3.1.1(3,7)]tetraarsoxane http://purl.obolibrary.org/obo/CHEBI_30621 3_STAR
CHEBI:30623 biolink:ChemicalSubstance oxalate(2-) A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of oxalic acid. CAS:338-70-5|Gmelin:2207|KEGG:C00209|PDBeChem:OXL|Reaxys:1905970|UM-BBD_compID:c0017 phenio.json OXALATE ION|ethanedioate|ethanedioic acid, ion(2-)|ox|oxalate http://purl.obolibrary.org/obo/CHEBI_30623 3_STAR
CHEBI:30629 biolink:ChemicalSubstance diethylenetriamine Beilstein:605314|CAS:111-40-0|Gmelin:2392 phenio.json N-(2-aminoethyl)ethane-1,2-diamine|dien|diethylenetriamine http://purl.obolibrary.org/obo/CHEBI_30629 3_STAR
CHEBI:3063 biolink:ChemicalSubstance Berbamine CAS:478-61-5|KEGG:C09357|KNApSAcK:C00001817 phenio.json Berbamine http://purl.obolibrary.org/obo/CHEBI_3063 2_STAR
CHEBI:30632 biolink:ChemicalSubstance loganic acid A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by beta-D-glucosyloxy, hydroxy and methyl groups respectively Beilstein:4887090|CAS:22255-40-9|KEGG:C01512|KNApSAcK:C00010604 phenio.json (1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid|Loganic acid http://purl.obolibrary.org/obo/CHEBI_30632 3_STAR
CHEBI:30633 biolink:ChemicalSubstance L-pipecolate A pipecolate that is the conjugate acid of L--pipecolic acid. CAS:3105-95-1|KEGG:C00408 phenio.json (2S)-piperidine-2-carboxylate|(S)-pipecolate|L-Pipecolate http://purl.obolibrary.org/obo/CHEBI_30633 3_STAR
CHEBI:30653 biolink:ChemicalSubstance homoserine An alpha-amino acid that is glycine substituted at the alpha-position by a 2-hydroxyethyl group. CAS:1927-25-9|CAS:498-19-1|PMID:15753300|PMID:17439666|Reaxys:1721682 phenio.json 2-amino-4-hydroxybutanoic acid|DL-Homoserine|Hse|homoserine http://purl.obolibrary.org/obo/CHEBI_30653 3_STAR
CHEBI:30654 biolink:ChemicalSubstance D-homoserine The D-enantiomer of homoserine. CAS:6027-21-0|MetaCyc:CPD-12255|PMID:20539880|PMID:21048866|PMID:3521530|PMID:7255357|Patent:CN101333175|Patent:JP2008022844|Reaxys:1721680 phenio.json (2R)-2-amino-4-hydroxybutanoic acid|D-homoserine http://purl.obolibrary.org/obo/CHEBI_30654 3_STAR
CHEBI:30655 biolink:ChemicalSubstance L-homoserine lactone The L-enantiomer of homoserine lactone. Beilstein:80586 phenio.json (3R)-3-amino-4,5-dihydrofuran-2(3H)-one|L-homoserine lactone http://purl.obolibrary.org/obo/CHEBI_30655 3_STAR
CHEBI:30657 biolink:ChemicalSubstance D-homoserine lactone The D-enantiomer of homoserine lactone. Beilstein:80585 phenio.json (3S)-3-amino-4,5-dihydrofuran-2(3H)-one|D-homoserine lactone http://purl.obolibrary.org/obo/CHEBI_30657 3_STAR
CHEBI:30659 biolink:ChemicalSubstance D-thyroxine The D-enantiomer of thyroxine. Beilstein:2954910|CAS:51-49-0|DrugBank:DB00509|Drug_Central:846|PMID:15206581|PMID:20020587|PMID:20483419|PMID:2062236|PMID:21035598|Wikipedia:Dextrothyroxine phenio.json D-T4|D-thyroxine|DT4|O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-D-tyrosine|dextrothyroxine http://purl.obolibrary.org/obo/CHEBI_30659 3_STAR
CHEBI:30660 biolink:ChemicalSubstance thyroxine An iodothyronine compound having iodo substituents at the 3-, 3'-, 5- and 5'-positions. Beilstein:2228514|CAS:300-30-1|PMID:15206581|PMID:24375501|PMID:9824273 phenio.json 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid|DL-Thyroxine|O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-DL-tyrosine|Thx|thyroxine http://purl.obolibrary.org/obo/CHEBI_30660 3_STAR
CHEBI:30661 biolink:ChemicalSubstance thyronine A tyrosine derivative where the phenolic hydrogen of tyrosine is substituted by 4-hydroxyphenyl. CAS:1034-10-2|Gmelin:419747|PMID:15643926|Reaxys:2947040 phenio.json 2-amino-3-[4-(4-hydroxyphenoxy)phenyl]propanoic acid|O-(4-hydroxyphenyl)-DL-tyrosine|thyronine http://purl.obolibrary.org/obo/CHEBI_30661 3_STAR
CHEBI:30682 biolink:ChemicalSubstance ruthenium atom CAS:7440-18-8|WebElements:Ru phenio.json 44Ru|Ru|Ruthenium|rutenio|ruthenium http://purl.obolibrary.org/obo/CHEBI_30682 3_STAR
CHEBI:30684 biolink:ChemicalSubstance alpha-D-glucosyl group The glycosyl group formed from alpha-D-glucopyranose. phenio.json alpha-D-glucopyranosyl|alpha-D-glucopyranosyl group|alpha-glucopyranosyl group|alpha-glucosyl http://purl.obolibrary.org/obo/CHEBI_30684 3_STAR
CHEBI:30687 biolink:ChemicalSubstance osmium atom CAS:7440-04-2|Gmelin:16234|WebElements:Os phenio.json 76Os|Os|osmio|osmium http://purl.obolibrary.org/obo/CHEBI_30687 3_STAR
CHEBI:30697 biolink:ChemicalSubstance beta-D-glucosyl group A D-glucosyl group obtained by removing the hydroxy group from the hemiacetal function of beta-D-glucose and, by extension, of a lower oligosaccharide having beta-D-glucose at the reducing end. The unsubstituted parent of the class of beta-D-glucosyl groups. PMID:28979944 phenio.json beta-D-glucopyranosyl|beta-D-glucopyranosyl group|beta-D-glucosyl|beta-D-glucosyl group|beta-glucopyranosyl group|beta-glucosyl http://purl.obolibrary.org/obo/CHEBI_30697 3_STAR
CHEBI:30703 biolink:ChemicalSubstance tetrathiomolybdate(2-) CAS:16330-92-0|Gmelin:2452|MolBase:788 phenio.json (T-4)-tetrathioxomolybdate(2-)|[MoS4](2-)|tetrasulfidomolybdate(2-)|tetrasulfidomolybdate(VI)|tetrathiomolybdate|tetrathiomolybdate(2-)|tetrathioxomolybdate(2-)|thiomolybdate http://purl.obolibrary.org/obo/CHEBI_30703 3_STAR
CHEBI:30725 biolink:ChemicalSubstance aflatoxin B1 exo-8,9-epoxide CAS:42583-46-0|KEGG:C19586 phenio.json (6aS,7aS,8aR,8bR)-4-methoxy-2,3,6a,7a,8a,8b-hexahydrocyclopenta[c]oxireno[4',5']furo[3',2':4,5]furo[2,3-h]chromene-1,10-dione|2,3-Epoxyaflatoxin B1|Aflatoxin B1 2,3-epoxide|Aflatoxin B1 8,9-epoxide|Aflatoxin B1 exo-8,9-oxide|Aflatoxin B1-2,3-oxide http://purl.obolibrary.org/obo/CHEBI_30725 3_STAR
CHEBI:30737 biolink:ChemicalSubstance trichloromethyl(.) Beilstein:1697502|CAS:3170-80-7|Gmelin:1835 phenio.json CCl3(.)|trichloromethyl|trichloromethyl free radical|trichloromethyl radical|trichloromethyl(.) http://purl.obolibrary.org/obo/CHEBI_30737 3_STAR
CHEBI:30740 biolink:ChemicalSubstance ethylene glycol bis(2-aminoethyl)tetraacetic acid A diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively. CAS:67-42-5|Gmelin:234970|PMID:11034152|PMID:18804143|Reaxys:1717370|Wikipedia:EGTA_(chemical) phenio.json 2,2',2'',2'''-[ethane-1,2-diylbis(oxyethane-2,1-diylnitrilo)]tetraacetic acid|3,12-bis(carboxymethyl)-6,9-dioxa-3,12-diazatetradecanedioic acid|EGTA|Egtazic acid|H4egta|[ethylenebis(oxyethylenenitrilo)]tetraacetic acid|ethylene glycol bis(beta-aminoethyl ether)-N,N,N',N'-tetraacetic acid|ethylene glycol-O,O'-bis(2-aminoethyl)-N,N,N',N'-tetraacetic acid http://purl.obolibrary.org/obo/CHEBI_30740 3_STAR
CHEBI:30742 biolink:ChemicalSubstance ethylene glycol A 1,2-glycol compound produced via reaction of ethylene oxide with water. CAS:107-21-1|Gmelin:943|KEGG:C01380|KEGG:C15588|KNApSAcK:C00007409|MetaCyc:GLYCOL|PDBeChem:EDO|PMID:10349109|PMID:15716482|PMID:16901854|PMID:17186009|PMID:17336832|PMID:17439666|PMID:17979222|PMID:18612987|PMID:23764541|PMID:23827374|PMID:24045699|PMID:24643482|PMID:25108762|PMID:9463526|PPDB:1310|Reaxys:505945|UM-BBD_compID:c0542|Wikipedia:Ethylene_Glycol phenio.json 1,2-Dihydroxyethane|1,2-ETHANEDIOL|1,2-Ethanediol|2-Hydroxyethanol|Ethanediol|Ethylene glycol|Glycol|HO-CH2-CH2-OH|Monoethylene glycol|ethane-1,2-diol|ethylene glycol http://purl.obolibrary.org/obo/CHEBI_30742 3_STAR
CHEBI:30744 biolink:ChemicalSubstance oxaloacetic acid An oxodicarboxylic acid that is succinic acid bearing a single oxo group. CAS:328-42-7|Gmelin:1042886|HMDB:HMDB0000223|KEGG:C00036|KNApSAcK:C00001197|LIPID_MAPS_instance:LMFA01170061|MetaCyc:OXALACETIC_ACID|PDBeChem:OAA|PMID:15710237|PMID:17190852|PMID:19793063|PMID:21825143|PMID:22451473|PMID:28322963|PMID:4014670|PMID:8422384|Patent:US2011064679|Reaxys:1705475|Wikipedia:Oxaloacetic_acid phenio.json 2-Oxobutanedioic acid|2-oxobutanedioic acid|2-oxosuccinic acid|3-carboxy-3-oxopropanoic acid|OAA|Oxalacetic acid|Oxaloacetic acid|Oxosuccinic acid|keto-succinic acid|ketosuccinic acid|oxobutanedioic acid http://purl.obolibrary.org/obo/CHEBI_30744 3_STAR
CHEBI:30745 biolink:ChemicalSubstance phenylacetic acid A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. CAS:103-82-2|Drug_Central:4624|ECMDB:ECMDB04128|Gmelin:68976|HMDB:HMDB0000209|KEGG:C07086|KNApSAcK:C00000750|MetaCyc:PHENYLACETATE|PDBeChem:PAC|PMID:12147706|PMID:12569987|PMID:15057459|PMID:15506622|PMID:15646820|PMID:17622769|PMID:2083978|PMID:24587751|PMID:24631718|PMID:7544181|PMID:7716788|Reaxys:1099647|Wikipedia:Phenylacetic_acid|YMDB:YMDB00891 phenio.json 2-PHENYLACETIC ACID|2-Phenylethanoic acid|Benzeneacetic acid|Benzylformic acid|Omega-Phenylacetic acid|PA|Phenylacetic acid|alpha-toluic acid|benzeneacetic acid|omega-phenylacetic acid|phenylacetic acid http://purl.obolibrary.org/obo/CHEBI_30745 3_STAR
CHEBI:30746 biolink:ChemicalSubstance benzoic acid A compound comprising a benzene ring core carrying a carboxylic acid substituent. CAS:65-85-0|DrugBank:DB03793|Drug_Central:4664|Gmelin:2946|HMDB:HMDB0001870|KEGG:C00180|KEGG:C00539|KEGG:D00038|KNApSAcK:C00000207|LINCS:LSM-37118|MetaCyc:BENZOATE|PDBeChem:BEZ|PMID:16728954|PMID:17439666|PMID:18314336|PPDB:1475|Reaxys:636131|Wikipedia:Benzoic_Acid|YMDB:YMDB02301 phenio.json Aromatic carboxylic acid|BENZOIC ACID|Benzenecarboxylic acid|Benzeneformic acid|Benzenemethanoic acid|Benzoesaeure|Benzoic acid|Dracylic acid|E210|Phenylcarboxylic acid|Phenylformic acid|acide benzoique|benzoic acid http://purl.obolibrary.org/obo/CHEBI_30746 3_STAR
CHEBI:30747 biolink:ChemicalSubstance 4-chlorobenzoic acid A monochlorobenzoic acid carrying a chloro substituent at position 4. CAS:74-11-3|DrugBank:DB03728|Gmelin:3034|KEGG:C02370|MetaCyc:CPD-615|PDBeChem:174|PMID:21184141|PMID:21595458|PMID:22142728|PMID:23529656|PMID:24222753|Reaxys:907196 phenio.json 4-CHLORO-BENZOIC ACID|4-Chlorobenzoic acid|4-chlorobenzoic acid|p-chlorbenzoic acid|p-chlorobenzoic acid http://purl.obolibrary.org/obo/CHEBI_30747 3_STAR
CHEBI:30748 biolink:ChemicalSubstance 2,4-dichlorobenzoic acid A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2 and 4 are substituted by chloro groups. CAS:50-84-0|Gmelin:562565|KEGG:C06670|PMID:15787461|Reaxys:1868192 phenio.json 2,4-Dichlorobenzoic acid|2,4-dichlorobenzoic acid http://purl.obolibrary.org/obo/CHEBI_30748 3_STAR
CHEBI:30749 biolink:ChemicalSubstance 4-chlorophenylacetic acid A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-chlorophenyl group. CAS:1878-66-6|Gmelin:602466|KEGG:C03077|MetaCyc:CPD-1786|PMID:3994362|PMID:6240395|PMID:637537|PMID:7076135|PMID:7217006|Patent:US4305955|Patent:US4374148|Reaxys:1072816 phenio.json (4-chlorophenyl)acetic acid|(p-chlorophenyl)acetic acid|4-Chlorophenylacetic acid|4-chlorobenzeneacetic acid|p-chlorophenylacetic acid http://purl.obolibrary.org/obo/CHEBI_30749 3_STAR
CHEBI:30751 biolink:ChemicalSubstance formic acid The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. BPDB:1749|CAS:64-18-6|DrugBank:DB01942|Gmelin:1008|HMDB:HMDB0000142|KEGG:C00058|KNApSAcK:C00001182|LIPID_MAPS_instance:LMFA01010040|MetaCyc:FORMATE|PDBeChem:FMT|PMID:12591956|PMID:14637377|PMID:15811469|PMID:16120414|PMID:16185830|PMID:16222862|PMID:16230297|PMID:16445901|PMID:16465784|PMID:18034701|PMID:18397576|PMID:22080171|PMID:22280475|PMID:22304812|PMID:22385261|PMID:22447125|PMID:22483350|PMID:22499553|PMID:22540994|PMID:22606986|PMID:22622393|PMID:3946945|PMID:7361809|Patent:CN101481304|Reaxys:1209246|Wikipedia:Formic_acid phenio.json Acide formique|Ameisensaeure|FORMIC ACID|Formic acid|H-COOH|HCO2H|HCOOH|Methanoic acid|aminic acid|bilorin|formic acid|formylic acid|hydrogen carboxylic acid|methoic acid http://purl.obolibrary.org/obo/CHEBI_30751 3_STAR
CHEBI:30753 biolink:ChemicalSubstance 4-aminobenzoic acid An aminobenzoic acid in which the amino group is para to the carboxy group. CAS:150-13-0|DrugBank:DB02362|Drug_Central:2049|ECMDB:ECMDB01392|Gmelin:50150|HMDB:HMDB0001392|KEGG:C00568|KEGG:D02456|KNApSAcK:C00001401|PDBeChem:PAB|PMID:12039592|PMID:14745019|PMID:15115392|PMID:1527790|PMID:16290145|PMID:17149871|PMID:17743450|PMID:17800214|PMID:19469519|PMID:22767283|PMID:22994574|PMID:23063996|PMID:23084339|PMID:23144588|PMID:23471007|PMID:3599019|PMID:3820215|PMID:3950915|PMID:8411009|PMID:9406595|Reaxys:471605|Wikipedia:4-Aminobenzoic_acid|YMDB:YMDB00493 phenio.json 1-Amino-4-carboxybenzene|4-AMINOBENZOIC ACID|4-Amino-benzoic acid|4-Aminobenzoesaeure|4-Aminobenzoic acid|4-Carboxyaniline|4-Carboxyphenylamine|4-aminobenzoic acid|ABEE|PABA|gamma-Aminobenzoic acid|gamma-aminobenzoic acid|p-Aminobenzoesaeure|p-aminobenzoic acid|p-carboxyaniline|p-carboxyphenylamine|para-aminobenzoic acid http://purl.obolibrary.org/obo/CHEBI_30753 3_STAR
CHEBI:30754 biolink:ChemicalSubstance anthranilic acid An aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central nervous system. CAS:118-92-3|DrugBank:DB04166|Gmelin:3397|HMDB:HMDB0001123|KEGG:C00108|KNApSAcK:C00007382|MetaCyc:ANTHRANILATE|PDBeChem:BE2|PMID:11680877|PMID:19745702|PMID:20511543|PMID:22321994|PMID:22341575|PMID:22784643|PMID:28166217|PMID:9784247|Reaxys:471803|Wikipedia:Anthranilic_acid phenio.json 2-AMINOBENZOIC ACID|2-Aminobenzoesaeure|2-aminobenzoic acid|2-carboxyaniline|Anthranilic acid|Vitamin L1|o-Aminobenzoesaeure|o-Aminobenzoic acid|o-aminobenzoic acid|o-carboxyaniline http://purl.obolibrary.org/obo/CHEBI_30754 3_STAR
CHEBI:30761 biolink:ChemicalSubstance 3-aminobenzoate Beilstein:1867698|CAS:2906-33-4|Gmelin:131189 phenio.json 3-aminobenzoate|3-aminobenzoic acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_30761 3_STAR
CHEBI:30762 biolink:ChemicalSubstance salicylate A monohydroxybenzoate that is the conjugate base of salicylic acid. CAS:63-36-5|Gmelin:3417|KEGG:C00805|PMID:16669002|PMID:16934829|Reaxys:3605209|UM-BBD_compID:c0043 phenio.json 2-hydroxybenzoate|2-hydroxybenzoic acid ion(1-)|Salicylate|o-hydroxybenzoate|sal|salicylate http://purl.obolibrary.org/obo/CHEBI_30762 3_STAR
CHEBI:30763 biolink:ChemicalSubstance 4-hydroxybenzoic acid A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. CAS:99-96-7|DrugBank:DB04242|ECMDB:ECMDB00500|Gmelin:3102|HMDB:HMDB0000500|KEGG:C00156|KNApSAcK:C00000856|PDBeChem:PHB|PMID:17185273|PMID:22770225|PMID:24128482|PMID:24236566|Reaxys:970950|Wikipedia:4-Hydroxybenzoic_acid|YMDB:YMDB00495 phenio.json 4-Hydroxybenzoic acid|4-carboxyphenol|4-hydroxybenzoic acid|P-HYDROXYBENZOIC ACID|p-hydroxybenzoic acid|p-salicylic acid http://purl.obolibrary.org/obo/CHEBI_30763 3_STAR
CHEBI:30764 biolink:ChemicalSubstance 3-hydroxybenzoic acid A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc. CAS:99-06-9|Gmelin:3338|HMDB:HMDB0002466|KEGG:C00587|KNApSAcK:C00040822|PDBeChem:3HB|PMID:21539432|PMID:23113660|PMID:23392766|PMID:23718125|PMID:28166217|Reaxys:508160|Wikipedia:3-Hydroxybenzoic_acid phenio.json 3-HYDROXYBENZOIC ACID|3-Hydroxybenzoic acid|3-carboxyphenol|3-hydroxybenzoic acid|m-Hydroxybenzoic acid|m-hydroxybenzoic acid|m-salicylic acid http://purl.obolibrary.org/obo/CHEBI_30764 3_STAR
CHEBI:30765 biolink:ChemicalSubstance tropic acid A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group. CAS:552-63-6|KEGG:C01456|KNApSAcK:C00035885|PMID:17439666|PMID:1796606|PMID:20077079|PMID:22467254|PMID:6856668|PMID:9023182|PMID:9535182|Reaxys:2209199|Wikipedia:Tropic_acid phenio.json (+-)-tropic acid|2-phenylhydracrylic acid|3-hydroxy-2-phenylpropanoic acid|3-hydroxy-2-phenylpropionic acid|Tropic acid|alpha-(Hydroxymethyl)phenylacetic acid|alpha-(hydroxymethyl)benzeneacetic acid|alpha-phenyl-beta-hydroxypropionic acid|beta-hydroxyhydratropic acid http://purl.obolibrary.org/obo/CHEBI_30765 3_STAR
CHEBI:30766 biolink:ChemicalSubstance (S)-tropic acid Beilstein:2803708 phenio.json (2S)-3-hydroxy-2-phenylpropanoic acid http://purl.obolibrary.org/obo/CHEBI_30766 3_STAR
CHEBI:30767 biolink:ChemicalSubstance (R)-tropic acid Beilstein:3198309 phenio.json (2R)-3-hydroxy-2-phenylpropanoic acid http://purl.obolibrary.org/obo/CHEBI_30767 3_STAR
CHEBI:30768 biolink:ChemicalSubstance propionic acid A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group. Beilstein:506071|CAS:79-09-4|DrugBank:DB03766|Gmelin:1821|KEGG:C00163|KEGG:D02310|LIPID_MAPS_instance:LMFA01010003|PDBeChem:PPI|PMID:15868474|PMID:1628870|PMID:16763906|PPDB:1341 phenio.json CH3-CH2-COOH|PA|PROPANOIC ACID|Propanoic acid|Propionic acid|Propionsaeure|acide propanoique|acide propionique|carboxyethane|ethanecarboxylic acid|ethylformic acid|metacetonic acid|methylacetic acid|propanoic acid|propioic acid|propionic acid|propoic acid|pseudoacetic acid http://purl.obolibrary.org/obo/CHEBI_30768 3_STAR
CHEBI:30769 biolink:ChemicalSubstance citric acid A tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. BPDB:1359|CAS:77-92-9|DrugBank:DB04272|Drug_Central:666|Gmelin:4240|HMDB:HMDB0000094|KEGG:C00158|KEGG:D00037|KNApSAcK:C00007619|MetaCyc:CIT|PDBeChem:CIT|PMID:11762832|PMID:11782123|PMID:11857437|PMID:14537820|PMID:15311880|PMID:15934243|PMID:16232627|PMID:17190852|PMID:17357118|PMID:17604395|PMID:18298573|PMID:18960216|PMID:19288211|PMID:22115968|PMID:22192423|PMID:22264346|PMID:22373571|PMID:22509852|Reaxys:782061|Wikipedia:Citric_Acid phenio.json 2-Hydroxy-1,2,3-propanetricarboxylic acid|2-Hydroxytricarballylic acid|2-hydroxypropane-1,2,3-tricarboxylic acid|3-Carboxy-3-hydroxypentane-1,5-dioic acid|CITRIC ACID|Citric acid|Citronensaeure|E330|H3cit http://purl.obolibrary.org/obo/CHEBI_30769 3_STAR
CHEBI:3077 biolink:ChemicalSubstance betamethasone Beilstein:3176546|CAS:378-44-9|DrugBank:DB00443|Drug_Central:348|KEGG:D00244|Patent:US3053865|Patent:US3104246|VSDB:1854|Wikipedia:Betamethasone phenio.json 16beta-Methyl-1,4-pregnadiene-9alpha-fluoro-11beta,17alpha,21-triol-3,20-dione|9-Fluoro-16beta-methylprednisolone|9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione|9alpha-Fluoro-16beta-methylprednisolone|Betadexamethasone|Rinderon|beta-Methasone alcohol|betametasona|betamethasone|betamethasonum http://purl.obolibrary.org/obo/CHEBI_3077 3_STAR
CHEBI:30772 biolink:ChemicalSubstance butyric acid A straight-chain saturated fatty acid that is butane in which one of the terminal methyl groups has been oxidised to a carboxy group. CAS:107-92-6|DrugBank:DB03568|Gmelin:26242|HMDB:HMDB0000039|KEGG:C00246|KNApSAcK:C00001180|LIPID_MAPS_instance:LMFA01010004|MetaCyc:BUTYRIC_ACID|PDBeChem:BUA|PMID:10736622|PMID:10956204|PMID:11201044|PMID:11208715|PMID:11238216|PMID:11305323|PMID:12068484|PMID:13678314|PMID:14962641|PMID:1542095|PMID:15809727|PMID:15810631|PMID:15938880|PMID:19318247|PMID:19366864|PMID:19703412|PMID:21699495|PMID:22038864|PMID:22194341|PMID:22322557|PMID:22339023|PMID:22466881|Reaxys:906770|Wikipedia:Butyric_acid phenio.json 1-butanoic acid|1-butyric acid|1-propanecarboxylic acid|4:0|BUTANOIC ACID|Butanoate|Butanoic acid|Buttersaeure|Butyric acid|C4:0|CH3-[CH2]2-COOH|acide butanoique|acide butyrique|butanic acid|butanoic acid|butoic acid|butyric acid|ethylacetic acid|n-butanoic acid|n-butyric acid|propanecarboxylic acid|propylformic acid http://purl.obolibrary.org/obo/CHEBI_30772 3_STAR
CHEBI:30775 biolink:ChemicalSubstance fluoroacetic acid A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine. CAS:144-49-0|Gmelin:25730|KEGG:C06108|KNApSAcK:C00001196|PDBeChem:FAH|PMID:17141253|PMID:17425556|PMID:18803668|PMID:19069133|PMID:19279811|PMID:21411227|Reaxys:1739053|Wikipedia:Fluoroacetic_acid phenio.json Cymonic acid|Fluoroacetic acid|Gifblaar poison|HFA|Monofluoressigsaure|UN 2642|acide-monofluoracetique|fluoroacetic acid|monofluoroacetic acid http://purl.obolibrary.org/obo/CHEBI_30775 3_STAR
CHEBI:30776 biolink:ChemicalSubstance hexanoic acid A C6, straight-chain saturated fatty acid. CAS:142-62-1|ECMDB:ECMDB21229|Gmelin:185066|HMDB:HMDB0000535|KEGG:C01585|KNApSAcK:C00001218|LIPID_MAPS_instance:LMFA01010006|MetaCyc:HEXANOATE|PDBeChem:6NA|PMID:10685018|PMID:1556177|PMID:24357269|PMID:24924750|Reaxys:773837|Wikipedia:Hexanoic_acid|YMDB:YMDB01424 phenio.json 1-hexanoic acid|1-pentanecarboxylic acid|6:0|C6:0|CH3-[CH2]4-COOH|HEXANOIC ACID|Hexanoate|Hexanoic acid|Hexylic acid|Pentanecarboxylic acid|butylacetic acid|caproic acid|capronic acid|hexanoic acid|hexoic acid|n-Caproic acid|n-hexanoic acid|n-hexoic acid|n-hexylic acid|pentiformic acid|pentylformic acid http://purl.obolibrary.org/obo/CHEBI_30776 3_STAR
CHEBI:30778 biolink:ChemicalSubstance gallic acid A trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5. CAS:149-91-7|Gmelin:27336|HMDB:HMDB0005807|KEGG:C01424|KNApSAcK:C00002647|LINCS:LSM-37191|MetaCyc:CPD-183|PMID:11032918|PMID:14598907|PMID:17426744|PMID:18314336|PMID:19812218|PMID:20441561|PMID:21805983|PMID:24010549|PMID:24342507|Reaxys:2050274|Wikipedia:Gallic_acid phenio.json 3,4,5-Trihydroxybenzoic acid|3,4,5-trihydroxybenzoic acid|Gallic acid|Pyrogallol-5-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_30778 3_STAR
CHEBI:30779 biolink:ChemicalSubstance succinate(1-) A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxy groups of succinic acid. Gmelin:325292|Reaxys:3904279 phenio.json 3-carboxypropanoate|Butanedioic acid, conjugate base|HOOC-CH2-CH2-COO(-)|hydrogen succinate http://purl.obolibrary.org/obo/CHEBI_30779 3_STAR
CHEBI:3078 biolink:ChemicalSubstance betamethasone sodium phosphate An organic sodium salt that is the disodium salt of betamethasone phosphate. CAS:151-73-5|DrugBank:DB00443|KEGG:D00972 phenio.json 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 21-(disodium phosphate)|Betamethasone 21-disodium phosphate|Betamethazone disodium phosphate|disodium 9-fluoro-11beta,17-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-21-yl phosphate http://purl.obolibrary.org/obo/CHEBI_3078 3_STAR
CHEBI:30780 biolink:ChemicalSubstance maleate(2-) A C4-dicarboxylate that is the Z-isomer of but-2-enedioate(2-) Gmelin:49853|Reaxys:3588415 phenio.json (2Z)-but-2-enedioate|male|maleate http://purl.obolibrary.org/obo/CHEBI_30780 3_STAR
CHEBI:30781 biolink:ChemicalSubstance butynedioic acid An acetylenic compound that is acetylene in which the hydrogens are replaced by carboxy groups. CAS:142-45-0|Gmelin:26624|KEGG:C03248|PMID:10843633|PMID:12978816|Reaxys:878357|Wikipedia:Acetylenedicarboxylic_acid phenio.json 2-Butynedioic acid|Acetylenedicarboxylic acid|but-2-ynedioic acid http://purl.obolibrary.org/obo/CHEBI_30781 3_STAR
CHEBI:30782 biolink:ChemicalSubstance acetylenedicarboxylate(1-) A dicarboxylic acid monoanion that is the conjugate base of butynedioic acid. Gmelin:533093|Reaxys:3538404 phenio.json 3-carboxyprop-2-ynoate http://purl.obolibrary.org/obo/CHEBI_30782 3_STAR
CHEBI:30789 biolink:ChemicalSubstance 4-sulfobenzoic acid A sulfobenzoic acid in which the sulfonic acid and carboxylic acid groups are in a para-relationship. CAS:636-78-2|Gmelin:1524793|KEGG:C02236|PMID:16028199|PMID:18080250|PMID:6438215|Reaxys:2212420 phenio.json 4-Sulfobenzoic acid|4-sulfobenzoic acid|4-sulphobenzoic acid|HO3S-C6H4-COOH|p-sulfobenzoic acid|para-sulfobenzoic acid http://purl.obolibrary.org/obo/CHEBI_30789 3_STAR
CHEBI:3079 biolink:ChemicalSubstance betanidin CAS:2181-76-2|DrugBank:DB00217|KEGG:C08539|KNApSAcK:C00001583 phenio.json (1E,2S)-1-{(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene]ethylidene}-5,6-dihydroxy-2,3-dihydro-1H-indolium-2-carboxylate|(2S)-4-{2-[(2S)-2-carboxy-5,6-dihydroxy-2,3-dihydro-1H-indol-1-yl]ethenyl}-2,3-dihydropyridine-2,6-dicarboxylic acid|2,6-Pyridinedicarboxylic acid, 4-(2-(2-carboxy-2,3-dihydro-5,6-dihydroxy-1H-indol-1-yl)ethenyl)-2,3-dihydro-, (S-(R*,R))-|Betanidin http://purl.obolibrary.org/obo/CHEBI_3079 3_STAR
CHEBI:30793 biolink:ChemicalSubstance 2-chlorobenzoic acid A monochlorobenzoic acid having the chloro group at the 2-position. CAS:118-91-2|Gmelin:165221|KEGG:C02357|MetaCyc:CPD-256|PMID:18623396|PMID:20149490|PMID:21312330|PMID:2743216|PMID:8846991|PMID:8934785|Reaxys:907340 phenio.json 2-Chlorobenzoic acid|2-chlorobenzoic acid|o-Chlorobenzoic acid|o-chlorobenzoic acid http://purl.obolibrary.org/obo/CHEBI_30793 3_STAR
CHEBI:30794 biolink:ChemicalSubstance malonic acid An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group. CAS:141-82-2|DrugBank:DB02175|Gmelin:2550|HMDB:HMDB0000691|KEGG:C00383|KNApSAcK:C00001193|LIPID_MAPS_instance:LMFA01170041|MetaCyc:MALONATE|PDBeChem:MLA|PMID:22770225|Reaxys:1751370|Wikipedia:Malonic_acid phenio.json H2malo|HOOC-CH2-COOH|MALONIC ACID|Malonic acid|Propanedioic acid|propanedioic acid http://purl.obolibrary.org/obo/CHEBI_30794 3_STAR
CHEBI:30795 biolink:ChemicalSubstance malonate(1-) Beilstein:3904186|Gmelin:324637 phenio.json HOOC-CH2-COO(-)|Hmalo|Malonic acid, conjugate base|carboxyacetate http://purl.obolibrary.org/obo/CHEBI_30795 3_STAR
CHEBI:30796 biolink:ChemicalSubstance (R)-malic acid An optically active form of malic acid having (R)-configuration. CAS:636-61-3|HMDB:HMDB0000744|KEGG:C00497|MetaCyc:CPD-660|PDBeChem:MLT|PMID:13842473|PMID:22735334|PMID:8620111|Reaxys:1723540|Wikipedia:Malic_acid phenio.json (+)-D-malic acid|(2R)-2-hydroxybutanedioic acid|(R)-2-hydroxybutanedioic acid|2-HYDROXY-SUCCINIC ACID|D-Malic acid|D-malic acid http://purl.obolibrary.org/obo/CHEBI_30796 3_STAR
CHEBI:30797 biolink:ChemicalSubstance (S)-malic acid An optically active form of malic acid having (S)-configuration. CAS:97-67-6|HMDB:HMDB0000156|KEGG:C00149|KNApSAcK:C00001192|MetaCyc:MAL|PDBeChem:LMR|PMID:22452826|PMID:23472183|Reaxys:1723541 phenio.json (-)-L-malic acid|(2S)-2-hydroxybutanedioic acid|(S)-(-)-Hydroxysuccinic acid|L-2-Hydroxybutanedioic acid|L-Apple acid|L-Malic acid|L-malic acid|Malate|Malic acid|S-2-Hydroxybutanedioic acid http://purl.obolibrary.org/obo/CHEBI_30797 3_STAR
CHEBI:3080 biolink:ChemicalSubstance Betanin CAS:7659-95-2|KEGG:C08540|KNApSAcK:C00001584 phenio.json Betanin http://purl.obolibrary.org/obo/CHEBI_3080 2_STAR
CHEBI:30800 biolink:ChemicalSubstance phthalate(1-) A phthalate that is the conjugate base of phthalic acid. Gmelin:328025|Reaxys:1876115 phenio.json 2-carboxybenzoate|hydrogen phthalate http://purl.obolibrary.org/obo/CHEBI_30800 3_STAR
CHEBI:30801 biolink:ChemicalSubstance terephthalate(1-) Beilstein:3590108|Gmelin:328026 phenio.json 4-carboxybenzoate|hydrogen terephthalate http://purl.obolibrary.org/obo/CHEBI_30801 3_STAR
CHEBI:30802 biolink:ChemicalSubstance isophthalic acid A benzenedicarboxylic acid that is benzene substituted by carboxy groups at position 1 and 3. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and terephthalic acids. CAS:121-91-5|Gmelin:27618|MetaCyc:CPD0-1267|PMID:24101250|Reaxys:1909332|Wikipedia:Isophthalic_acid phenio.json IPA|benzene-1,3-dicarboxylic acid|m-benzenedicarboxylic acid|meta-benzenedicarboxylic acid http://purl.obolibrary.org/obo/CHEBI_30802 3_STAR
CHEBI:30803 biolink:ChemicalSubstance isophthalate(2-) Beilstein:3906186|Gmelin:328933 phenio.json 1,3-benzenedicarboxylate|benzene-1,3-dicarboxylate|isophthalate http://purl.obolibrary.org/obo/CHEBI_30803 3_STAR
CHEBI:30804 biolink:ChemicalSubstance isophthalate(1-) A dicarboxylic acid monoanion that is the conjugate base of isophthalic acid. Gmelin:1947083|MetaCyc:CPD0-1267 phenio.json 3-carboxybenzoate|hydrogen isophthalate http://purl.obolibrary.org/obo/CHEBI_30804 3_STAR
CHEBI:30805 biolink:ChemicalSubstance dodecanoic acid A straight-chain, twelve-carbon medium-chain saturated fatty acid with strong bactericidal properties; the main fatty acid in coconut oil and palm kernel oil. CAS:143-07-7|DrugBank:DB03017|Drug_Central:4642|Gmelin:103520|HMDB:HMDB0000638|KEGG:C02679|KNApSAcK:C00001221|LIPID_MAPS_instance:LMFA01010012|MetaCyc:DODECANOATE|PDBeChem:DAO|PMID:19387482|PMID:26884207|Reaxys:1099477|UM-BBD_compID:c0566|Wikipedia:Lauric_acid phenio.json 1-undecanecarboxylic acid|ABL|C12 fatty acid|C12:0|CH3-[CH2]10-COOH|Coconut oil fatty acids|DAO|Dodecanoic acid|Dodecylcarboxylate|Dodecylic acid|Duodecyclic acid|Duodecylic acid|LAURIC ACID|Lauric acid|Laurinsaeure|Laurostearic acid|N-dodecanoic acid|Undecane-1-carboxylic acid|Vulvic acid|dodecanoic acid|dodecoic acid|lauric acid|n-dodecanoic acid http://purl.obolibrary.org/obo/CHEBI_30805 3_STAR
CHEBI:30807 biolink:ChemicalSubstance tetradecanoate A long-chain fatty acid anion that is the conjugate base of myristic acid; major species at pH 7.3. Gmelin:335122|KEGG:C06424|Reaxys:3589340 phenio.json 1-tetradecanecarboxylate|CH3-[CH2]12-COO(-)|Tetradecanoate|myristate|n-tetradecan-1-oate|n-tetradecoate|tetradecanoate|tetradecoate http://purl.obolibrary.org/obo/CHEBI_30807 3_STAR
CHEBI:30813 biolink:ChemicalSubstance decanoic acid A C10, straight-chain saturated fatty acid. Beilstein:1754556|CAS:334-48-5|DrugBank:DB03600|ECMDB:ECMDB21204|Gmelin:69184|HMDB:HMDB0000511|KEGG:C01571|KNApSAcK:C00001213|LIPID_MAPS_instance:LMFA01010010|MetaCyc:CPD-3617|PDBeChem:DKA|PMID:19168249|PMID:20661498|PMID:24284257|PMID:24357269|YMDB:YMDB00677 phenio.json 1-nonanecarboxylic acid|10:0|C10:0|CH3-[CH2]8-COOH|DECANOIC ACID|Decanoate|Decanoic acid|Decylic acid|Dekansaeure|Kaprinsaeure|capric acid|caprinic acid|decanoic acid|decoic acid|n-Capric acid|n-decanoic acid|n-decoic acid|n-decylic acid http://purl.obolibrary.org/obo/CHEBI_30813 3_STAR
CHEBI:30814 biolink:ChemicalSubstance digallic acid Beilstein:2177723|CAS:536-08-3|KEGG:C01572 phenio.json 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoic acid|Digallic acid|Gallic acid 3-monogallate http://purl.obolibrary.org/obo/CHEBI_30814 3_STAR
CHEBI:30816 biolink:ChemicalSubstance vanillic acid A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. Beilstein:2208364|CAS:121-34-6|DrugBank:DB02130|Gmelin:1472811|HMDB:HMDB0000484|KEGG:C06672|KNApSAcK:C00002682|PDBeChem:VNL|PMID:20482617|PMID:24078147|PMID:24314059|YMDB:YMDB01802 phenio.json 4-Hydroxy-3-methoxybenzoic acid|4-hydroxy-3-methoxybenzoic acid|Vanillic acid http://purl.obolibrary.org/obo/CHEBI_30816 3_STAR
CHEBI:30817 biolink:ChemicalSubstance trans-urocanic acid A urocanic acid in which the double bond of the carboxyethene moiety has E configuration. Beilstein:81405|CAS:104-98-3|CAS:3465-72-3|DrugBank:DB01971|HMDB:HMDB0034174|KEGG:C00785|PDBeChem:URO|PMID:9724745|Patent:RU2445307|Reaxys:81403|Wikipedia:Urocanic_acid phenio.json (2E)-3-(1H-imidazol-4-yl)acrylic acid|(2E)-3-(1H-imidazol-4-yl)prop-2-enoic acid|(E)-3-(1H-imidazol-4-yl)-2-propenoic acid|Urocanic acid|trans-urocanic acid http://purl.obolibrary.org/obo/CHEBI_30817 3_STAR
CHEBI:3082 biolink:ChemicalSubstance betaxolol A propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydoxy is substituted by a 4-[2-(cyclopropylmethoxy)ethyl]phenyl group and one of the hydrogens attached to the amino group is substituted by isopropyl. It is a selective beta1-receptor blocker and is used in the treatment of glaucoma as well as hypertension, arrhythmias, and coronary heart disease. It is also used to reduce non-fatal cardiac events in patients with heart failure. CAS:63659-18-7|DrugBank:DB00195|Drug_Central:356|HMDB:HMDB0014341|KEGG:C06849|KEGG:D07526|LINCS:LSM-1255|PMID:10891117|PMID:1361581|PMID:14971904|PMID:15993593|PMID:1865331|PMID:2569884|Patent:DE2649605|Patent:US4252984|Reaxys:1991268|Wikipedia:Betaxolol phenio.json 1-(4-(2-(cyclopropylmethoxy)ethyl)phenoxy)-3-((1-methylethyl)amino)-2-propanol|1-(isopropylamino)-3-[p-(cyclopropylmethoxyethyl)phenoxy]-2-propanol|1-{4-[2-(cyclopropylmethoxy)ethyl]phenoxy}-3-(propan-2-ylamino)propan-2-ol|betaxolol|betaxololum http://purl.obolibrary.org/obo/CHEBI_3082 3_STAR
CHEBI:30820 biolink:ChemicalSubstance 2-oxooctadecanoic acid A 2-oxo monocarboxylic acid that is octadecanoic acid (stearic acid) in which the hydrogens at position 2 have been replaced by an oxo group. KEGG:C00869|LIPID_MAPS_instance:LMFA01060119|PMID:26630345|Reaxys:1789750 phenio.json 2-Oxooctadecanoic acid|2-oxo-octadecanoic acid|2-oxooctadecanoic acid|2-oxostearic acid http://purl.obolibrary.org/obo/CHEBI_30820 3_STAR
CHEBI:30823 biolink:ChemicalSubstance oleate A C18, long straight-chain monounsaturated fatty acid anion; and the conjugate base of oleic acid, arising from deprotonation of the carboxylic acid group. CAS:115-06-0|Gmelin:344067|PMID:12429352|Reaxys:1913148 phenio.json (9Z)-octadec-9-enoate|(9Z)-octadecenoate|(Z)-9-octadecenoic acid, ion(1-)|Oleat|cis-9-octadecenoate|oleic acid anion http://purl.obolibrary.org/obo/CHEBI_30823 3_STAR
CHEBI:30825 biolink:ChemicalSubstance elaidate A long-chain fatty acid anion that is the conjugate base of elaidic acid; shown to exert detrimental effects on mitochondrial lipid composition and function. Gmelin:344068|Reaxys:1913149 phenio.json (9E)-octadec-9-enoate|(9E)-octadecenoate|9-trans-octadecenoate|Delta(9)-trans-octadecenoate|trans-9-octadecenoate|trans-Delta(9)-octadecenoate http://purl.obolibrary.org/obo/CHEBI_30825 3_STAR
CHEBI:30830 biolink:ChemicalSubstance 4-hydroxybutyric acid A 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group. CAS:591-81-1|DrugBank:DB01440|KEGG:C00989|KEGG:C01991|LIPID_MAPS_instance:LMFA01050006|PMID:15927467|PMID:3361576|Reaxys:1720582|Wikipedia:Oxybate phenio.json 3-carboxypropoxy acid|4-Hydroxyalkanoic acid|4-Hydroxybutanoate|4-Hydroxybutanoic acid|4-Hydroxybutyric acid|4-Hydroxycarboxylic acid|4-hydroxy-butyric acid|4-hydroxybutanoic acid|GHB|Gamma Hydroxybutyric Acid|Xyrem|gamma-Hydroxybutyric acid|gamma-hydroxybutyric acid|oxy-n-butyric acid http://purl.obolibrary.org/obo/CHEBI_30830 3_STAR
CHEBI:30831 biolink:ChemicalSubstance 2-oxobutanoic acid A 2-oxo monocarboxylic acid that is the 2-oxo derivative of butanoic acid. CAS:600-18-0|DrugBank:DB04553|Gmelin:601216|HMDB:HMDB0000005|KEGG:C00109|KNApSAcK:C00019675|LIPID_MAPS_instance:LMFA01060002|MetaCyc:2-OXOBUTANOATE|PDBeChem:2KT|Reaxys:1700514|Wikipedia:Alpha-Ketobutyric_acid phenio.json 2-KETOBUTYRIC ACID|2-Ketobutanoic acid|2-Ketobutyric acid|2-Oxobutanoic acid|2-Oxobutyric acid|2-oxobutanoic acid|3-methyl pyruvic acid|alpha-Ketobutyrate|alpha-Ketobutyric acid|alpha-ketobutyric acid|alpha-oxo-n-butyric acid http://purl.obolibrary.org/obo/CHEBI_30831 3_STAR
CHEBI:30832 biolink:ChemicalSubstance adipic acid An alpha,omega-dicarboxylic acid that is the 1,4-dicarboxy derivative of butane. CAS:124-04-9|Drug_Central:3474|FAO/WHO_standards:174|Gmelin:3166|HMDB:HMDB0000448|KEGG:C06104|KEGG:D08839|KNApSAcK:C00001178|LIPID_MAPS_instance:LMFA01170048|MetaCyc:ADIPATE|PDBeChem:0L1|PMID:22770225|PMID:24491734|PMID:24895214|Reaxys:1209788|Wikipedia:Adipic_acid phenio.json 1,4-butanedicarboxylic acid|1,6-hexanedioic acid|Adipic acid|Adipinsaeure|E 355|E-355|E355|INS No. 355|adipic acid|adipinic acid|hexanedioic acid http://purl.obolibrary.org/obo/CHEBI_30832 3_STAR
CHEBI:30833 biolink:ChemicalSubstance adipate(1-) A dicarboxylic acid monoanion that is the conjugate base of adipic acid. Gmelin:326744|Reaxys:3904589 phenio.json 5-carboxypentanoate|hexanedioic acid, conjugate base|hydrogen adipate http://purl.obolibrary.org/obo/CHEBI_30833 3_STAR
CHEBI:30835 biolink:ChemicalSubstance 2-methylcitric acid Beilstein:1794854|CAS:6061-96-7 phenio.json 2-hydroxy-1,2,3-butanetricarboxylic acid|2-hydroxybutane-1,2,3-tricarboxylic acid|3-C-carboxy-2,4-dideoxy-2-methylpentaric acid http://purl.obolibrary.org/obo/CHEBI_30835 3_STAR
CHEBI:30837 biolink:ChemicalSubstance allantoic acid A member of the class of ureas that consists of acetic acid in which the two methyl hydrogens are replaced by carbamoylamino groups respectively. CAS:99-16-1|Gmelin:240954|HMDB:HMDB0001209|KEGG:C00499|KNApSAcK:C00007470|MetaCyc:ALLANTOATE|PDBeChem:1AL|PMID:11852104|PMID:22725647|Reaxys:1790227|Wikipedia:Allantoic_acid phenio.json Allantoic acid|bis(carbamoylamino)acetic acid|bis[(aminocarbonyl)amino]acetic acid|diureidoacetic acid http://purl.obolibrary.org/obo/CHEBI_30837 3_STAR
CHEBI:30838 biolink:ChemicalSubstance itaconic acid A dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a carboxylic acid group. CAS:97-65-4|ECMDB:ECMDB02092|Gmelin:240640|HMDB:HMDB0002092|KEGG:C00490|KNApSAcK:C00033964|LIPID_MAPS_instance:LMFA01170063|MetaCyc:ITACONATE|PMID:18584171|PMID:23420787|PMID:23610393|PMID:24169454|Reaxys:1759501|Wikipedia:Itaconic_acid|YMDB:YMDB00716 phenio.json 2-methylenesuccinic acid|2-methylidenebutanedioic acid|2-propene-1,2-dicarboxylic acid|Itaconic acid|Methylenesuccinic acid|methylenebutanedioic acid|propylenedicarboxylic acid http://purl.obolibrary.org/obo/CHEBI_30838 3_STAR
CHEBI:30839 biolink:ChemicalSubstance orotate Beilstein:3651747|CAS:73-97-2|Gmelin:464718 phenio.json 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate|orotate http://purl.obolibrary.org/obo/CHEBI_30839 3_STAR
CHEBI:3084 biolink:ChemicalSubstance bethanechol The carbamic acid ester of 2-methylcholine. A slowly hydrolysed muscarinic agonist with no nicotinic effects, it is used as its chloride salt to increase smooth muscle tone, as in the gastrointestinal tract following abdominal surgery, treatment of gastro-oesophageal reflux disease, and as an alternative to catheterisation in the treatment of non-obstructive urinary retention. Beilstein:1773706|CAS:674-38-4|DrugBank:DB01019|Drug_Central:358|KEGG:C06850|LINCS:LSM-5196|PMID:17889543 phenio.json (2-hydroxypropyl)trimethylammonium carbamate|2-(carbamoyloxy)-N,N,N-trimethylpropan-1-aminium|2-carbamoyloxypropyl-trimethylazanium|Bethanechol|amidopropyldimethylbetaine|carbamoyl-beta-methylcholine|carbamyl-beta-methylcholine http://purl.obolibrary.org/obo/CHEBI_3084 3_STAR
CHEBI:30841 biolink:ChemicalSubstance 3-hydroxypyruvic acid A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a hydroxy group. It is an intermediate involved in the glycine and serine metabolism. CAS:1113-60-6|DrugBank:DB02951|HMDB:HMDB0001352|KEGG:C00168|KNApSAcK:C00007563|PDBeChem:3PY|PMID:13163046|PMID:13328834|PMID:13522577|PMID:13522578|PMID:13564115|PMID:13798280|PMID:20989501|Reaxys:1721079|Wikipedia:Hydroxypyruvic_acid phenio.json 3-HYDROXYPYRUVIC ACID|3-Hydroxypyruvic acid|3-hydroxy-2-oxopropanoic acid|Hydroxypyruvic acid http://purl.obolibrary.org/obo/CHEBI_30841 3_STAR
CHEBI:30842 biolink:ChemicalSubstance oxomalonic acid Beilstein:1754123|CAS:473-90-5|DrugBank:DB03589|Gmelin:482034|KEGG:C00830|PDBeChem:MAK phenio.json ALPHA-KETOMALONIC ACID|Ketomalonic acid|Mesoxalic acid|Oxomalonic acid|oxopropanedioic acid http://purl.obolibrary.org/obo/CHEBI_30842 3_STAR
CHEBI:30843 biolink:ChemicalSubstance oxomalonate(1-) Gmelin:325478 phenio.json carboxy(oxo)acetate http://purl.obolibrary.org/obo/CHEBI_30843 3_STAR
CHEBI:30844 biolink:ChemicalSubstance hydroxymalonate(1-) phenio.json carboxy(hydroxy)acetate http://purl.obolibrary.org/obo/CHEBI_30844 3_STAR
CHEBI:30845 biolink:ChemicalSubstance 2-furoic acid A furoic acid having the carboxylic acid group located at position 2. CAS:88-14-2|Chemspider:10251740|FooDB:FDB000951|Gmelin:3056|HMDB:HMDB0000617|KEGG:C01546|KNApSAcK:C00000151|PDBeChem:FOA|PMID:12587683|PMID:16306695|PMID:18492059|PMID:19938546|PMID:20393580|PMID:22031465|PMID:23421908|PMID:26378464|PMID:29097752|Reaxys:110149|Wikipedia:2-Furoic_acid phenio.json 2-FUROIC ACID|2-Furancarboxylic acid|2-Furoic acid|2-carboxyfuran|2-furanoic acid|2-furoic acid|Furan-2-carbonsaeure|Pyromucic acid|acide 2-furoique|acido 2-furoico|alpha-furancarboxylic acid|alpha-furoic acid|furan-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_30845 3_STAR
CHEBI:30848 biolink:ChemicalSubstance urate(1-) CAS:3106-08-9 phenio.json 7,9-dihydro-1H-purine-2,6,8(3H)-trione, ion(1-)|uric acid monoanion|uric acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_30848 3_STAR
CHEBI:30849 biolink:ChemicalSubstance L-arabinose The L-enantiomer of arabinose. CAS:5328-37-0|PMID:17336832|PMID:23545138|PMID:23949136|PMID:24078190|PMID:24195072 phenio.json L-Ara|L-arabino-pentose|L-arabinose http://purl.obolibrary.org/obo/CHEBI_30849 3_STAR
CHEBI:30850 biolink:ChemicalSubstance 3-propylmalic acid A dicarboxylic acid that is malic acid in which one of the hydrogens at position 3 is substituted by a propyl group. KEGG:C02123 phenio.json 2-hydroxy-3-propylbutanedioic acid|3-propylmalic acid http://purl.obolibrary.org/obo/CHEBI_30850 3_STAR
CHEBI:30851 biolink:ChemicalSubstance keto-phenylpyruvic acid A 2-oxo monocarboxylic acid that is 3-phenylpropanoic acid substituted by an oxo group at position 2. It is an intermediate metabolite in the phenylalanine pathway. CAS:156-06-9|DrugBank:DB03884|ECMDB:ECMDB00205|Gmelin:972243|HMDB:HMDB0000205|KEGG:C00166|KNApSAcK:C00000751|PDBeChem:PPY|PMID:132040|PMID:153583|PMID:16742815|PMID:20504690|PMID:2291475|PMID:4025205|PMID:719897|PMID:8216688|PMID:9869358|Reaxys:2207312|Wikipedia:Phenylpyruvic_acid|YMDB:YMDB00786 phenio.json 2-oxo-3-phenylpropanoic acid|3-PHENYLPYRUVIC ACID|3-Phenyl-2-oxopropanoate|3-phenyl-2-oxopropanoic acid|3-phenylpyruvic acid|Phenylbrenztraubensaeure|Phenylpyruvate|Phenylpyruvic acid|alpha-Ketohydrocinnamic acid|alpha-oxo-benzenepropanoic acid|beta-phenylpyruvic acid|keto-Phenylpyruvate http://purl.obolibrary.org/obo/CHEBI_30851 3_STAR
CHEBI:30852 biolink:ChemicalSubstance galactaric acid A hexaric acid resulting from formal oxidative ring cleavage of galactose. CAS:526-99-8|Gmelin:165629|HMDB:HMDB0000639|KEGG:C00879|MetaCyc:D-GALACTARATE|PMID:11675026|PMID:12459157|PMID:1288842|PMID:16667263|PMID:23052862|Patent:WO2010072902|Reaxys:1728117|Wikipedia:Galactaric_acid phenio.json (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid|Galactaric acid|Galactarsaeure|Galactosaccharic acid|Galaktarsaeure|Mucic acid|Mucinsaeure|Saccharolactic acid|Schleimsaeure|acido galactarico|acido mucico|meso-galactaric acid http://purl.obolibrary.org/obo/CHEBI_30852 3_STAR
CHEBI:30853 biolink:ChemicalSubstance glycyrrhetinic acid A pentacyclic triterpenoid that is olean-12-ene substituted by a hydroxy group at position 3, an oxo group at position 11 and a carboxy group at position 30. CAS:1449-05-4|CAS:471-53-4|Drug_Central:3178|KEGG:C02283|KEGG:D00156|KNApSAcK:C00003521|PDBeChem:CBW|PMID:14411793|PMID:17166674|PMID:18771671|PMID:24386942|Reaxys:2229654|Wikipedia:Glycyrrhetinic_acid phenio.json 18beta-glycyrrhetic acid|3beta-hydroxy-11-oxoolean-12-en-30-oic acid|Enoxolone|Glycyrrhetinic acid http://purl.obolibrary.org/obo/CHEBI_30853 3_STAR
CHEBI:30854 biolink:ChemicalSubstance indole-3-acetate An indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-acetic acid. Gmelin:329972|Reaxys:3906817 phenio.json (indol-3-yl)acetate|1H-indol-3-ylacetate|2-(indol-3-yl)ethanoate http://purl.obolibrary.org/obo/CHEBI_30854 3_STAR
CHEBI:30859 biolink:ChemicalSubstance 3-maleylpyruvic acid Beilstein:1725756|KEGG:C02167 phenio.json (2Z)-4,6-dioxohept-2-enedioic acid|Maleylpyruvate|Maleylpyruvic acid http://purl.obolibrary.org/obo/CHEBI_30859 3_STAR
CHEBI:3086 biolink:ChemicalSubstance betulin A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. CAS:473-98-3|HMDB:HMDB0036838|KEGG:C08618|KNApSAcK:C00003740|PMID:10075776|PMID:19222115|PMID:19537177|PMID:19821831|PMID:21537960|PMID:21598174|PMID:21643657|PMID:21647548|PMID:22864237|PMID:22978210|PMID:22978211|PMID:23017394|PMID:23158079|PMID:23203108|PMID:23267736|Reaxys:2064515|Wikipedia:Betulin phenio.json (3beta)-lup-20(29)-ene-3,28-diol|Betuline|Betulinol|Betulol|Trochol http://purl.obolibrary.org/obo/CHEBI_3086 3_STAR
CHEBI:30860 biolink:ChemicalSubstance methylmalonic acid A dicarboxylic acid that is malonic acid in which one of the methylene hydrogens is substituted by a methyl group. CAS:516-05-2|DrugBank:DB04183|Gmelin:50008|HMDB:HMDB0000202|KEGG:C02170|LIPID_MAPS_instance:LMFA01170118|MetaCyc:CPD-546|PDBeChem:DXX|PMID:11673368|PMID:15770414|PMID:17190852|PMID:21478039|PMID:21652239|PMID:21687976|PMID:21748409|PMID:21802231|PMID:21896502|PMID:22104738|PMID:22233538|PMID:22301932|PMID:22332180|PMID:22377700|PMID:22422209|PMID:22424943|PMID:22509143|PMID:22537172|PMID:22770225|Reaxys:1756084|Wikipedia:Methylmalonic_acid phenio.json 1,1-Ethanedicarboxylic acid|2-methylmalonic acid|Isosuccinic acid|METHYLMALONIC ACID|Methylmalonic acid|alpha-methylmalonic acid|methylpropanedioic acid http://purl.obolibrary.org/obo/CHEBI_30860 3_STAR
CHEBI:30861 biolink:ChemicalSubstance methylmalonate(1-) A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of methylmalonic acid. Gmelin:142213|Reaxys:5499681 phenio.json 2-carboxypropanoate http://purl.obolibrary.org/obo/CHEBI_30861 3_STAR
CHEBI:30864 biolink:ChemicalSubstance (S)-dihydroorotate A dihydroorotate that is the conjugate base of (S)-dihydroorotic acid. Gmelin:1484350|MetaCyc:DI-H-OROTATE phenio.json (4S)-2,6-dioxohexahydropyrimidine-4-carboxylate|(S)-4,5-dihydroorotate|(S)-dihydroorotate|4,5-dihydro-L-orotate http://purl.obolibrary.org/obo/CHEBI_30864 3_STAR
CHEBI:30865 biolink:ChemicalSubstance dihydroorotic acid A pyrimidinemonocarboxylic acid that results from the base-catalysed cyclisation of N(alpha)-carbethoxyasparagine. Beilstein:155267|CAS:155-54-4|DrugBank:DB02129|Patent:US2773872|Reaxys:83959|Wikipedia:4,5-Dihydroorotic_acid phenio.json 2,6-dioxohexahydropyrimidine-4-carboxylic acid|4,5-dihydroorotic acid|5,6-dihydro-orotic acid|DL-dihydroortotic acid|Hydroorotic acid http://purl.obolibrary.org/obo/CHEBI_30865 3_STAR
CHEBI:30866 biolink:ChemicalSubstance (R)-dihydroorotic acid Beilstein:83958 phenio.json (4R)-2,6-dioxohexahydropyrimidine-4-carboxylic acid|(R)-4,5-dihydroorotic acid|4,5-dihydro-D-orotic acid http://purl.obolibrary.org/obo/CHEBI_30866 3_STAR
CHEBI:30867 biolink:ChemicalSubstance dihydroorotate A monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of dihydroorotic acid. phenio.json 2,6-dioxohexahydropyrimidine-4-carboxylate|4,5-dihydroorotate http://purl.obolibrary.org/obo/CHEBI_30867 3_STAR
CHEBI:3087 biolink:ChemicalSubstance betulinic acid A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-carboxy substituents. It is found in the bark and other plant parts of several species of plants including Syzygium claviflorum. It exhibits anti-HIV, antimalarial, antineoplastic and anti-inflammatory properties. CAS:472-15-1|HMDB:HMDB0030094|KEGG:C08619|KNApSAcK:C00003741|LIPID_MAPS_instance:LMPR0106140004|PMID:14595673|PMID:15083202|PMID:20075711|PMID:7489361|PMID:8176401|Patent:RU2445317|Patent:RU2458933|Patent:US2012237629|Reaxys:2711110|Wikipedia:Betulinic_acid phenio.json 3beta-hydroxylup-20(29)-en-28-oic acid|Betulinic acid|Mairin http://purl.obolibrary.org/obo/CHEBI_3087 3_STAR
CHEBI:30879 biolink:ChemicalSubstance alcohol A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom. KEGG:C00069 phenio.json Alcohol|alcohols|an alcohol http://purl.obolibrary.org/obo/CHEBI_30879 3_STAR
CHEBI:30881 biolink:ChemicalSubstance xanthine-8-carboxylic acid KEGG:C03314 phenio.json 2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_30881 3_STAR
CHEBI:30882 biolink:ChemicalSubstance 2-oxoglutaramic acid Beilstein:2354281|CAS:18465-19-5|KEGG:C00940 phenio.json 2-Ketoglutaramate|2-Oxoglutaramic acid|5-amino-2,5-dioxopentanoic acid|alpha-Ketoglutaramate http://purl.obolibrary.org/obo/CHEBI_30882 3_STAR
CHEBI:30885 biolink:ChemicalSubstance lupinic acid Beilstein:1227755 phenio.json 3-{6-[(2E)-4-hydroxy-3-methylbut-2-en-1-ylamino]-9H-purin-9-yl}-alanine http://purl.obolibrary.org/obo/CHEBI_30885 3_STAR
CHEBI:30887 biolink:ChemicalSubstance isocitric acid A tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group. CAS:320-77-4|DrugBank:DB01727|ECMDB:ECMDB04088|HMDB:HMDB0000193|KEGG:C00311|KNApSAcK:C00001188|MetaCyc:Isocitrate|PMID:17439666|PMID:23989918|PMID:24702026|Reaxys:1727945|Wikipedia:Isocitric_acid|YMDB:YMDB00026 phenio.json 1-Hydroxypropane-1,2,3-tricarboxylic acid|1-Hydroxytricarballylic acid|1-hydroxypropane-1,2,3-tricarboxylic acid|3-carboxy-2,3-dideoxypentaric acid|Isocitric acid http://purl.obolibrary.org/obo/CHEBI_30887 3_STAR
CHEBI:30889 biolink:ChemicalSubstance L-threo-isocitric acid The (1S,2R)-stereoisomer of isocitric acid. Reaxys:1727948 phenio.json (1S,2R)-1-hydroxypropane-1,2,3-tricarboxylic acid|3-carboxy-2,3-dideoxy-D-threo-pentaric acid http://purl.obolibrary.org/obo/CHEBI_30889 3_STAR
CHEBI:30896 biolink:ChemicalSubstance L-threo-isocitrate(3-) An isocitrate(3-) that is the conjugate base of L-threo-isocitric acid. phenio.json (1S,2R)-1-hydroxypropane-1,2,3-tricarboxylate http://purl.obolibrary.org/obo/CHEBI_30896 3_STAR
CHEBI:30897 biolink:ChemicalSubstance L-erythro-isocitrate(3-) An isocitrate(3-) that is the conjugate base of L-erythro-isocitric acid. phenio.json (1R,2R)-1-hydroxypropane-1,2,3-tricarboxylate http://purl.obolibrary.org/obo/CHEBI_30897 3_STAR
CHEBI:3090 biolink:ChemicalSubstance bicalutamide A racemate comprising of equal amounts of (R)-bicalutamide and (S)-bicalutamide. It is an oral non-steroidal antiandrogen used in the treatment of prostate cancer and hirsutism. CAS:90357-06-5|DrugBank:DB01128|Drug_Central:367|HMDB:HMDB0015260|KEGG:C08160|KEGG:D00961|LINCS:LSM-1437|PMID:11915584|PMID:12015321|PMID:12017896|PMID:12421104|PMID:12959312|PMID:15509184|PMID:17313204|PMID:18062751|PMID:19194583|PMID:23527766|PMID:30784326|PMID:31099426|Patent:EP100172|Patent:US4636505|Reaxys:5364666|Wikipedia:Bicalutamide phenio.json (+-)-bicalutamide|(RS)-4'-cyano-alpha',alpha',alpha',-trifluoro-3-(4-fluorophenylsulphonyl)-2-hydroxy-2-methylpropiono-m-toluidide|(RS)-bicalutamide|Bicadex|Bical|Bicalox|Bicamide|Bicatlon|Bicusan|Binabic|Bypro|Calumid|Calutide|Calutol|Casodex|Cosudex|ICI 176,334|ICI 176334|ICI-176334|Kalumid|Ormandyl|bicalutamida|bicalutamide|bicalutamidum|rac-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide|racemic bicalutamide http://purl.obolibrary.org/obo/CHEBI_3090 3_STAR
CHEBI:30903 biolink:ChemicalSubstance (-)-homoisocitric acid Beilstein:5812906|Beilstein:7478627|KEGG:C05662 phenio.json (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid http://purl.obolibrary.org/obo/CHEBI_30903 3_STAR
CHEBI:30904 biolink:ChemicalSubstance homoisocitrate(3-) KEGG:C05662 phenio.json 1-Hydroxybutane-1,2,4-tricarboxylate|1-hydroxybutane-1,2,4-tricarboxylate|3-Carboxy-2-hydroxyadipate|Homoisocitrate|homoisocitrate http://purl.obolibrary.org/obo/CHEBI_30904 3_STAR
CHEBI:30907 biolink:ChemicalSubstance 4-fumarylacetoacetic acid Beilstein:1726101|CAS:28613-33-4|KEGG:C01061|KNApSAcK:C00007599 phenio.json (2E)-4,6-dioxooct-2-enedioic acid|4-Fumarylacetoacetic acid|Fumarylacetoacetone http://purl.obolibrary.org/obo/CHEBI_30907 3_STAR
CHEBI:30909 biolink:ChemicalSubstance 1-alkyl-sn-glycero-3-phosphocholine A glycerophosphocholine that consists of L-alpha-glycerophosphocholine carrying an unspecified alkyl substituent at position 1. KEGG:C04317 phenio.json 1-Alkyl-2-lyso-sn-glycero-3-phosphocholine|1-Organyl-2-lyso-sn-glycero-3-phosphocholine|1-Radyl-2-lyso-sn-glycero-3-phosphocholine|a 1-O-alkyl-sn-glycero-3-phosphocholine http://purl.obolibrary.org/obo/CHEBI_30909 3_STAR
CHEBI:30911 biolink:ChemicalSubstance glucitol Beilstein:1721909|Gmelin:83165|Wikipedia:Sorbitol phenio.json Sorbitol|glucitol|gulitol|rel-(2R,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol http://purl.obolibrary.org/obo/CHEBI_30911 3_STAR
CHEBI:30912 biolink:ChemicalSubstance 1-piperideine-2-carboxylic acid Beilstein:110800|CAS:2756-89-0|FooDB:FDB022415|HMDB:HMDB0001084|KEGG:C04092|PMID:131119|PMID:1873475|PMID:19130530|PMID:7654748 phenio.json 1,2-didehydropiperidine-2-carboxylic acid|3,4,5,6-tetrahydro-2-pyridinecarboxylic acid|3,4,5,6-tetrahydropyridine-2-carboxylic acid|Delta(1)-pipecolic acid|Delta(1)-piperidine-2-carboxylic acid|delta(1)-piperideine-2-carboxylic acid|delta1-piperideine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_30912 3_STAR
CHEBI:30913 biolink:ChemicalSubstance L-pipecolic acid The L-enantiomer of pipecolic acid. It is a metabolite of lysine. Beilstein:4291591|Beilstein:81093|CAS:3105-95-1|Gmelin:648299|HMDB:HMDB0000716|KEGG:C00408|KNApSAcK:C00000210|KNApSAcK:C00001387|MetaCyc:L-PIPECOLATE|PMID:12743469|PMID:24431009|Reaxys:81093 phenio.json (2S)-piperidine-2-carboxylic acid|(S)-(-)-pipecolic acid|(S)-pipecolic acid|(S)-piperidine-2-carboxylic acid|2-Piperidinecarboxylic acid|L-(-)-pipecolic acid|Pipecolic acid|Pipecolinic acid http://purl.obolibrary.org/obo/CHEBI_30913 3_STAR
CHEBI:30915 biolink:ChemicalSubstance 2-oxoglutaric acid An oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle. CAS:328-50-7|DrugBank:DB02926|Gmelin:602480|HMDB:HMDB0000208|KEGG:C00026|KNApSAcK:C00000769|MetaCyc:2-KETOGLUTARATE|PDBeChem:AKG|PMID:17439666|PMID:18990406|PMID:20155414|PMID:20200292|PMID:20583149|PMID:20636327|PMID:21964641|Reaxys:1705689|Wikipedia:Alpha-Ketoglutaric_acid phenio.json 2-Ketoglutaric acid|2-oxopentanedioic acid|Oxoglutaric acid|alpha-Ketoglutaric acid|alpha-ketoglutaric acid http://purl.obolibrary.org/obo/CHEBI_30915 3_STAR
CHEBI:30916 biolink:ChemicalSubstance 2-oxoglutarate(1-) A dicarboxylic acid monoanion resulting from selective deprotonation of the 1-carboxy group of 2-oxoglutaric acid. Gmelin:2159365|Reaxys:4132418 phenio.json 2-ketoglutarate|4-carboxy-2-oxobutanoate http://purl.obolibrary.org/obo/CHEBI_30916 3_STAR
CHEBI:30918 biolink:ChemicalSubstance 3-dehydroshikimic acid A 4-oxo monocarboxylic acid that is shikimic acid in which the allylic hydroxy group has been oxidised to the corresponding keto group. DrugBank:DB04347|KEGG:C02637|KNApSAcK:C00019663|PMID:10514257|Reaxys:2938338|Wikipedia:3-Dehydroshikimic_acid phenio.json (-)-3-dehydroshikimic acid|(4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid|3-Dehydroshikimate|3-dehydroshikimic acid|5-Dehydroshikimate|5-dehydroshikimic acid http://purl.obolibrary.org/obo/CHEBI_30918 3_STAR
CHEBI:3092 biolink:ChemicalSubstance bicuculline A benzylisoquinoline alkaloid that is 6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline which is substituted at the 5-pro-S position by a (6R)-8-oxo-6,8-dihydrofuro[3,4-e][1,3]benzodioxol-6-yl group. A light-sensitive competitive antagonist of GABAA receptors. It was originally identified in 1932 in plant alkaloid extracts and has been isolated from Dicentra cucullaria, Adlumia fungosa, Fumariaceae, and several Corydalis species. Beilstein:98786|CAS:485-49-4|KEGG:C09364|KNApSAcK:C00001820|PMID:27579770|PMID:29137474|PMID:29949743|PMID:30858801|Wikipedia:Bicuculline phenio.json (6R)-6-[(5S)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one|Bicculine|Bicucullin|Bicuculline|d-Bicuculline http://purl.obolibrary.org/obo/CHEBI_3092 3_STAR
CHEBI:30920 biolink:ChemicalSubstance 3-hydroxy-3-methylglutarate(1-) A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of 3-hydroxy-3-methylglutaric acid. phenio.json 4-carboxy-3-hydroxy-3-methylbutanoate http://purl.obolibrary.org/obo/CHEBI_30920 3_STAR
CHEBI:30921 biolink:ChemicalSubstance glutarate(2-) A dicarboxylic acid dianion obtained by deprotonation of both the carboxy groups of glutaric acid. Gmelin:240388|Reaxys:3904695 phenio.json glutarate|pentanedioate http://purl.obolibrary.org/obo/CHEBI_30921 3_STAR
CHEBI:30923 biolink:ChemicalSubstance 4-hydroxy-2-oxoglutaric acid An oxo dicarboxylic acid comprising glutaric acid having oxo- and hydroxy substituents at the 2- and 4-positions respectively. Beilstein:1780096|CAS:1187-99-1|KEGG:C01127 phenio.json 2-hydroxy-4-oxopentanedioic acid|4-Hydroxy-2-oxoglutaric acid http://purl.obolibrary.org/obo/CHEBI_30923 3_STAR
CHEBI:30924 biolink:ChemicalSubstance L-tartrate(2-) Beilstein:3906378|CAS:87-69-4|Gmelin:305937|KEGG:C00898 phenio.json (+)-tartrate|(2R,3R)-2,3-dihydroxybutanedioate|(2R,3R)-2,3-dihydroxysuccinate|(2R,3R)-tartrate|(R,R)-Tartrate|L-threarate http://purl.obolibrary.org/obo/CHEBI_30924 3_STAR
CHEBI:30926 biolink:ChemicalSubstance 3-oxalomalic acid Beilstein:1797015|CAS:3687-15-8|CAS:89304-26-7|KEGG:C01990|LINCS:LSM-5156 phenio.json 1-hydroxy-3-oxo-1,2,3-propanetricarboxylic acid|1-hydroxy-3-oxopropane-1,2,3-tricarboxylic acid|3-Oxalomalic acid http://purl.obolibrary.org/obo/CHEBI_30926 3_STAR
CHEBI:30927 biolink:ChemicalSubstance D-tartrate(2-) Beilstein:5740672|Gmelin:326909|MetaCyc:D-TARTRATE phenio.json (-)-tartrate|(2S,3S)-2,3-dihydroxybutanedioate|(2S,3S)-2,3-dihydroxysuccinate|(2S,3S)-tartrate|(S,S)-tartrate|D-threarate http://purl.obolibrary.org/obo/CHEBI_30927 3_STAR
CHEBI:30928 biolink:ChemicalSubstance meso-tartrate(2-) Beilstein:3906377|Gmelin:326908 phenio.json (2R,3S)-2,3-dihydroxybutanedioate|(2R,3S)-2,3-dihydroxysuccinate|(2R,3S)-tartrate|erythrarate|meso-tartaric acid dianion|meso-tartrate http://purl.obolibrary.org/obo/CHEBI_30928 3_STAR
CHEBI:30929 biolink:ChemicalSubstance 2,3-dihydroxybutanedioate A tartaric acid anion that is the conjugate base of 3-carboxy-2,3-dihydroxypropanoate. Beilstein:1876435 phenio.json 2,3-dihydroxybutanedioate|2,3-dihydroxysuccinate|tartrate http://purl.obolibrary.org/obo/CHEBI_30929 3_STAR
CHEBI:30933 biolink:ChemicalSubstance 3-phosphonooxypyruvic acid A carboxyalkyl phosphate that is pyruvic acid substituted at position 3 by a 3-phosphonooxy group. Beilstein:4246841|CAS:3913-50-6|KEGG:C03232|KNApSAcK:C00019657|PDBeChem:HPV phenio.json 2-oxo-3-(phosphonooxy)propanoic acid|3-Phosphohydroxypyruvic acid|3-Phosphonooxypyruvic acid|Hydroxypyruvic acid phosphate|phosphohydroxypyruvic acid http://purl.obolibrary.org/obo/CHEBI_30933 3_STAR
CHEBI:30934 biolink:ChemicalSubstance D-citramalate(2-) A citramalate(2-) that is the conjugate base of D-citramalic acid. KEGG:C02612 phenio.json (2R)-2-hydroxy-2-methylbutanedioate|(2R)-2-hydroxy-2-methylsuccinate|(3R)-Citramalate|(3R)-citramalate|(R)-2-methylmalate|D-citramalate http://purl.obolibrary.org/obo/CHEBI_30934 3_STAR
CHEBI:30935 biolink:ChemicalSubstance 3-phosphonopyruvic acid A 2-oxo monocarboxylic acid that is pyruvic acid substituted at position 3 by a phospho group. Chemspider:10709816|DrugBank:DB02522|KEGG:C02798|KNApSAcK:C00000801|PDBeChem:PPR|Reaxys:3539337 phenio.json 2-oxo-3-phosphonopropanoate|2-oxo-3-phosphonopropanoic acid|2-oxo-3-phosphonopropionic acid|3-Phosphonopyruvate|3-phosphonopyruvic acid|PHOSPHONOPYRUVATE http://purl.obolibrary.org/obo/CHEBI_30935 3_STAR
CHEBI:30936 biolink:ChemicalSubstance L-citramalate(2-) A citramalate(2-) that is the conjugate acid of L-citramalic acid. KEGG:C02614|MetaCyc:S-CITRAMALATE phenio.json (2S)-2-hydroxy-2-methylbutanedioate|(2S)-2-hydroxy-2-methylsuccinate|(3S)-Citramalate|(3S)-citramalate|(S)-2-Methylmalate|(S)-citramalate|L-Citramalate|S-Citramalate http://purl.obolibrary.org/obo/CHEBI_30936 3_STAR
CHEBI:30938 biolink:ChemicalSubstance 6-aminopenicillanate Gmelin:604420|KEGG:C02954 phenio.json (2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_30938 3_STAR
CHEBI:30939 biolink:ChemicalSubstance 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate The 5alpha,9alpha,10beta-diastereomer of copalyl diphosphate. KEGG:C11901|KNApSAcK:C00000876|LIPID_MAPS_instance:LMPR0104030002 phenio.json (+)-Copalyl diphosphate|1alpha,4aalpha,8abeta-labda-8(20),13-dien-15-yl trihydrogen diphosphate|3-methyl-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate|Copalyl diphosphate|Labdadienyl diphosphate|copalyl diphosphate http://purl.obolibrary.org/obo/CHEBI_30939 3_STAR
CHEBI:30943 biolink:ChemicalSubstance tyvelose CAS:5658-12-8|DrugBank:DB04028 phenio.json 3,6-dideoxy-D-arabino-hexose|3,6-dideoxy-D-mannose|Tyv http://purl.obolibrary.org/obo/CHEBI_30943 3_STAR
CHEBI:30944 biolink:ChemicalSubstance ascarylose A dideoxyhexose that is L-arabinohexose in which the hydroxy groups at positions 3 and 6 are replaced by hydrogen. MetaCyc:CPD-9396 phenio.json 3,6-dideoxy-L-arabino-hexose|3,6-dideoxy-L-mannose http://purl.obolibrary.org/obo/CHEBI_30944 3_STAR
CHEBI:3095 biolink:ChemicalSubstance biguanide Beilstein:507183|CAS:56-03-1|Gmelin:240093|KEGG:C07672 phenio.json 1,2,3-triimidodicarbonic diamide|Biguanide|H2N-C(=NH)-NH-C(=NH)-NH2|Hbig|biguanide|imidodicarbonimidic diamide http://purl.obolibrary.org/obo/CHEBI_3095 3_STAR
CHEBI:30953 biolink:ChemicalSubstance pyrazine A diazine that is benzene in which the carbon atoms at positions 1 and 4 have been replaced by nitrogen atoms. CAS:290-37-9|Gmelin:1733|HMDB:HMDB0034176|PMID:24964033|Reaxys:103905|Wikipedia:Pyrazine phenio.json 1,4-Diazin|1,4-diazine|Pyrazin|p-diazine|paradiazine|pyrazine|pyz http://purl.obolibrary.org/obo/CHEBI_30953 3_STAR
CHEBI:30956 biolink:ChemicalSubstance trichloroacetic acid A monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. CAS:76-03-9|Drug_Central:3627|Gmelin:2842|KEGG:C11150|KEGG:D08633|MetaCyc:CPD-9675|PMID:12573897|PMID:16298895|PMID:16815816|PMID:16901594|PMID:21269351|PMID:21332915|PMID:21457391|PMID:21497335|PMID:21523508|PMID:21529453|PMID:21549800|PMID:21716542|Reaxys:970119|Wikipedia:Trichloroacetic_Acid phenio.json TCA|Trichloressigsaeure|Trichloroacetic acid|trichloracetic acid|trichloroacetic acid|trichloroethanoic acid http://purl.obolibrary.org/obo/CHEBI_30956 3_STAR
CHEBI:30959 biolink:ChemicalSubstance 4-pyridoxate A pyridoxate that is the conjugate base of 4-pyridoxic acid, obtained by deprotonation of the carboxy group. MetaCyc:CPD-1112|PMID:31442449|PMID:31989305 phenio.json 3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylate|3-hydroxy-5-(hydroxymethyl)-2-methylisonicotinate|3-hydroxy-5-(hydroxymethyl)-2-methylpyridine-4-carboxylate|4-pyridoxate|4-pyridoxinate|4-pyridoxylate http://purl.obolibrary.org/obo/CHEBI_30959 3_STAR
CHEBI:309594 biolink:ChemicalSubstance oxybuprocaine A benzoate ester in which 4-amino-3-butoxybenzoic acid and 2-(diethylamino)ethanol have combined to form the ester bond; an ester-based local anaesthetic (ester "caine") used especially in ophthalmology and otolaryngology. CAS:99-43-4|DrugBank:DB00892|Drug_Central:3016|HMDB:HMDB0015029|KEGG:D08319|LINCS:LSM-2069|PMID:25360701|PMID:3598888|PMID:6621359|PMID:8214534|PMID:9013953|PMID:9989796|Patent:GB654484|Reaxys:2288926|Wikipedia:Oxybuprocaine phenio.json 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate|4-Amino-3-butoxy-2-(diethylamino)ethyl ester benzoic acid|4-Amino-3-butoxy-benzoic acid 2-diethylamino-ethyl ester|4-Amino-3-n-butoxy-benzoesaeure-diaethylaminoaethylester|BENOXINATE|Benoxil|Benoxinate|Butoxyaminobenzoyldiethylaminoethanol|Oxbarukain|Oxibuprokain|Oxybucaine|Oxyriprocaine|oxibuprocaina|oxybuprocaine|oxybuprocainum http://purl.obolibrary.org/obo/CHEBI_309594 3_STAR
CHEBI:30960 biolink:ChemicalSubstance 5-pyridoxate A pyridoxate that is the conjugate base of 5-pyridoxic acid, obtained by deprotonation of the carboxy group. KEGG:C04773 phenio.json 3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate|5-Pyridoxate|5-hydroxy-4-(hydroxymethyl)-6-methylnicotinate|5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate|5-pyridoxate http://purl.obolibrary.org/obo/CHEBI_30960 3_STAR
CHEBI:30968 biolink:ChemicalSubstance azetidine Beilstein:102384|CAS:503-29-7|Gmelin:986 phenio.json azacyclobutane|azetidine|trimethylene imine|trimethylenimine http://purl.obolibrary.org/obo/CHEBI_30968 3_STAR
CHEBI:3098 biolink:ChemicalSubstance bile acid Any member of a group of hydroxy-5beta-cholanic acids occuring in bile, where they are present as the sodium salts of their amides with glycine or taurine. In mammals bile acids almost invariably have 5beta-configuration. KEGG:C01558 phenio.json 5beta-bile acid|5beta-bile acids|Bile acid|Bile salt|Gallensaeure|Gallensaeuren|bile acids http://purl.obolibrary.org/obo/CHEBI_3098 3_STAR
CHEBI:30985 biolink:ChemicalSubstance 4,4'-bipyridine A bipyridine in which the two pyridine moieties are linked by a bond between positions C-4 and C-4'. CAS:553-26-4|Gmelin:3759|PMID:24022647|PMID:24358992|PMID:24446585|Reaxys:113176|Wikipedia:4,4%27-Bipyridine phenio.json 4,4'-bipyridine|4,4'-bipyridyl|4,4'-bpy|4,4'-dipyridine|4,4'-dipyridyl|4,4-Bipyridin|4-(4-pyridyl)pyridine|gamma,gamma'-bipyridyl|gamma,gamma'-dipyridyl http://purl.obolibrary.org/obo/CHEBI_30985 3_STAR
CHEBI:31 biolink:ChemicalSubstance (+)-menthone A menthone that is cyclohexanone substituted by a methyl and an isopropyl group at positions 5 and 2 respectively (the 2R,5S-stereoisomer). Beilstein:5245020|CAS:3391-87-5|KEGG:C11390|KNApSAcK:C00010903|Reaxys:2041367 phenio.json (+)-Menthone|(1S,4R)-menthone|(1S,4R)-p-menthan-3-one|(2R,5S)-2-isopropyl-5-methylcyclohexanone|(2R,5S)-5-methyl-2-(propan-2-yl)cyclohexanone http://purl.obolibrary.org/obo/CHEBI_31 3_STAR
CHEBI:31003 biolink:ChemicalSubstance triacontanoic acid A C30, very long straight-chain, saturated fatty acid. CAS:506-50-3|Gmelin:1622816|LIPID_MAPS_instance:LMFA01010030|Reaxys:1803689 phenio.json 1-triacontanoic acid|CH3-[CH2]28-COOH|Triacontansaeure|melissic acid|myricic acid|n-triacontanoic acid|triacontanoic acid|triacontoic acid http://purl.obolibrary.org/obo/CHEBI_31003 3_STAR
CHEBI:31004 biolink:ChemicalSubstance triacontanoate A straight-chain saturated fatty acid anion that is the conjugate base of melissic acid, arising from deprotonation of the carboxylic acid group. Gmelin:383247 phenio.json CH3-[CH2]28-COO(-)|Triacontanoat|melissate|n-triacontanoate|triacontanoate|triacontoate http://purl.obolibrary.org/obo/CHEBI_31004 3_STAR
CHEBI:31009 biolink:ChemicalSubstance hexacosanoic acid A 26-carbon, straight-chain, saturated fatty acid. CAS:506-46-7|Gmelin:374172|LIPID_MAPS_instance:LMFA01010026|PMID:1911873|PMID:19135040|Reaxys:1799681 phenio.json C26:0|CH3-[CH2]24-COOH|Hexacosansaeure|ceratinic acid|ceric acid|cerinic acid|cerotic acid|cerotinic acid|cerylic acid|hexacosanoic acid|hexacosoic acid|hexaeicosanoic acid|n-C26:0|n-hexacosanoic acid http://purl.obolibrary.org/obo/CHEBI_31009 3_STAR
CHEBI:31011 biolink:ChemicalSubstance valerate A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals. CAS:10023-74-2|Gmelin:325619|PMID:17314444|PMID:18783570|Reaxys:3903735 phenio.json CH3-[CH2]3-COO(-)|n-propylacetate|pentanoate|pentanoic acid, ion(1-) http://purl.obolibrary.org/obo/CHEBI_31011 3_STAR
CHEBI:31013 biolink:ChemicalSubstance cerotate The conjugate base of cerotic acid. Gmelin:374171|PMID:3244051 phenio.json CH3-[CH2]24-COO(-)|cerate|ceratinate|cerinate|cerotate|cerylate|hexacosanoate|n-hexacosanoate http://purl.obolibrary.org/obo/CHEBI_31013 3_STAR
CHEBI:31014 biolink:ChemicalSubstance tetracosanoate A straight-chain saturated fatty acid anion that is the conjugate base of tetracosanoic acid (lignoceric acid), formed by deprotonation of the carboxy group. Gmelin:373325|MetaCyc:TETRACOSANOATE phenio.json CH3-[CH2]22-COO(-)|Lignocerat|Tetracosanoat|lignocerate|n-tetracosanoate|tetracosanate|tetracosanoate|tetracosoate|tetraeicosanoate http://purl.obolibrary.org/obo/CHEBI_31014 3_STAR
CHEBI:3103 biolink:ChemicalSubstance bilobalide A terpenoid trilactone found in extracts of Ginkgo biloba. Beilstein:5303543|CAS:33570-04-6|KEGG:C07605|KNApSAcK:C00011512 phenio.json (3aS,8R,8aS,9R,10aS)-9-tert-butyl-8,9-dihydroxydihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione http://purl.obolibrary.org/obo/CHEBI_3103 3_STAR
CHEBI:310312 biolink:ChemicalSubstance isoliquiritigenin A member of the class of chalcones that is trans-chalcone hydroxylated at C-2', -4 and -4'. Beilstein:1914296|CAS:961-29-5|KEGG:C08650|KNApSAcK:C00006925|LIPID_MAPS_instance:LMPK12120096|MetaCyc:CPD-3041|PDBeChem:HCC|PMID:11501051|PMID:11853176|PMID:14510590|PMID:14640516|PMID:15878356|PMID:19067384|PMID:20146476|PMID:21158449|PMID:21691759|PMID:21720042|PMID:21815175|PMID:21866899|PMID:21945440|PMID:22076338|Patent:CN101524341|Patent:CN102247339|Reaxys:1914296|Wikipedia:Isoliquiritigenin phenio.json (2E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one|(E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone|(E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)-2-propene-1-one|2',4,4'-TRIHYDROXYCHALCONE|2',4,4'-Trihydroxychalcone|4,2',4'-Trihydroxychalcone|Isoliquiritigenin|isoliquiritigenin|trans-2',4,4'-trihydroxychalcone http://purl.obolibrary.org/obo/CHEBI_310312 3_STAR
CHEBI:31073 biolink:ChemicalSubstance 2,3-Dioxo-6-nitro-7-sulfamoylbenzo(f)quinoxaline CAS:118876-58-7|KEGG:C13667|LINCS:LSM-3054 phenio.json 2,3-Dioxo-6-nitro-7-sulfamoylbenzo[f]quinoxaline|NBQX http://purl.obolibrary.org/obo/CHEBI_31073 2_STAR
CHEBI:31082 biolink:ChemicalSubstance 2-hydroxy-6-oxonona-2,4,7-trienedioic acid KEGG:C12624 phenio.json 2-Hydroxy-6-ketononatrienedioate|2-hydroxy-6-oxonona-2,4,7-trienedioic acid http://purl.obolibrary.org/obo/CHEBI_31082 3_STAR
CHEBI:31107 biolink:ChemicalSubstance 3-amino-4,7-dihydroxycoumarin A hydroxycoumarin that is 4,7-dihydroxycoumarin bearing an additional amino substituent at positions 3. KEGG:C12468|PMID:16274243|Reaxys:1075671 phenio.json 3-Amino-4,7-dihydroxycoumarin http://purl.obolibrary.org/obo/CHEBI_31107 3_STAR
CHEBI:31111 biolink:ChemicalSubstance 3-dimethylallyl-4-hydroxybenzoic acid A monohydroxybenzoic acid that is 4-hydroxybenzoic acid bearing an additional dimethylallyl substituent at position 3. KEGG:C12458|PMID:10801869|PMID:12480894|PMID:12618544|PMID:14622269|PMID:15218104|Patent:WO2009098287|Reaxys:2644226 phenio.json 4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoic acid|4-hydroxy-3-prenylbenzoic acid http://purl.obolibrary.org/obo/CHEBI_31111 3_STAR
CHEBI:3112 biolink:ChemicalSubstance biperiden A member of the class of piperidines that is N-propylpiperidine in which the methyl hydrogens have been replaced by hydroxy, phenyl, and 5-norbornen-2-yl groups. A muscarinic antagonist affecting both the central and peripheral nervous systems, it is used in the treatment of all forms of Parkinson's disease. Beilstein:290038|CAS:514-65-8|DrugBank:DB00810|Drug_Central:374|KEGG:C07941|KEGG:D00779|LINCS:LSM-1235|PMID:10877003|PMID:12873507|PMID:25160769|PMID:25466702|PMID:2579237|PMID:26479221|PMID:28216067|Patent:US2789110|Wikipedia:Biperiden phenio.json 1-(bicyclo[2.2.1]hept-5-en-2-yl)-1-phenyl-3-(piperidin-1-yl)propan-1-ol|1-Bicyclo[2.2.1]hept-5-en-2-yl-1-phenyl-3-piperidin-1-yl-propan-1-ol|alpha-5-norbornen-2-yl-alpha-phenyl-1-piperidinepropanol|alpha-bicyclo[2.2.1]hept-5-en-2-yl-alpha-phenyl-1-piperidinepropanol|biperiden|biperidene|biperideno|biperidenum http://purl.obolibrary.org/obo/CHEBI_3112 3_STAR
CHEBI:31121 biolink:ChemicalSubstance 4'''-demalonylsalvianin Beilstein:4645651|CAS:168753-27-3|KEGG:C12641|KNApSAcK:C00006775 phenio.json 3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside|4'''-Demalonylsalvianin|Monodemalonylsalvianin|pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-(6-O-malonyl-beta-D-glucoside) http://purl.obolibrary.org/obo/CHEBI_31121 3_STAR
CHEBI:31128 biolink:ChemicalSubstance 4-hydroxyphenyl acetate A phenyl acetate obtained by formal condensation of the carboxy group of acetic acid with one of the hydroxy groups of hydroquinone. Beilstein:1940871|CAS:3233-32-7|KEGG:C13636 phenio.json 1,4-Benzenediol, monoacetate|4-Hydroxyphenyl acetate|4-Hydroxyphenylacetate|4-acetoxyphenol|4-hydroxyphenyl acetate|hydroquinone monoacetate http://purl.obolibrary.org/obo/CHEBI_31128 3_STAR
CHEBI:31132 biolink:ChemicalSubstance 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylic acid KEGG:C12248|KNApSAcK:C00007532 phenio.json 4-(carbamoylamino)-5-hydroxy-2-oxo-2,5-dihydro-1H-imidazole-5-carboxylic acid|5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate http://purl.obolibrary.org/obo/CHEBI_31132 3_STAR
CHEBI:31157 biolink:ChemicalSubstance (+)-abscisic aldehyde Beilstein:2506041|KEGG:C13455|KNApSAcK:C00007236 phenio.json (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienal|2-cis-(+)-abscisic aldehyde|Abscisic aldehyde http://purl.obolibrary.org/obo/CHEBI_31157 3_STAR
CHEBI:31159 biolink:ChemicalSubstance aceclofenac A monocarboxylic acid that is the carboxymethyl ester of diclofenac. A non-steroidal anti-inflammatory drug related to diclofenac, it is used in the management of osteoarthritis, rheumatoid arthritis, and ankylosing spondylitis. CAS:89796-99-6|Drug_Central:43|KEGG:D01545|LINCS:LSM-5762|PMID:11511027|PMID:22807412|PMID:23261744|PMID:23944964|Patent:ES8404783|Patent:US4548952|Reaxys:4884476|Wikipedia:Aceclofenac phenio.json (2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetoxy)acetic acid|2-[(2',6'-dichlorophenyl)amino]phenylacetoxyacetic acid|2-[(2,6-dichlorophenyl)amino]benzeneacetic acid carboxymethyl ester|2-[(2,6-dichlorophenyl)amino]phenylacetoxyacetic acid|Cincofen|Clanza|Hifenac|PR-82/3|aceclofenac|aceclofenaco|aceclofenacum|glycolic acid [o-(2,6-dichloroanilino)phenyl]acetate ester http://purl.obolibrary.org/obo/CHEBI_31159 3_STAR
CHEBI:31168 biolink:ChemicalSubstance spiramycin II A macrolide antibiotic produced by various Streptomyces species. CAS:24916-51-6|KEGG:C12891|KEGG:D02420|LIPID_MAPS_instance:LMPK05000002|PMID:15127585|PMID:16496680|PMID:20843520|PMID:2232146|PMID:23866271|PMID:24790408|PMID:25081985|PMID:25164320|PMID:3793330|PMID:4077347|PMID:6655800|PMID:7154255|PMID:7321185|PMID:7321187|Patent:WO2011147316|Reaxys:25081792 phenio.json (4R,5S,6S,7R,9R,10R,11E,13E,16R)-6-{[(2S,3R,4R,5S,6R)-5-{[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-10-{[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-4-yl acetate|Acetylspiramycin|Acetylspiramycinum|Foromacidin B|Foromacidine B|Spiramycin 2|Spiramycin B http://purl.obolibrary.org/obo/CHEBI_31168 3_STAR
CHEBI:31174 biolink:ChemicalSubstance adapalene A naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether. CAS:106685-40-9|DrugBank:DB00210|Drug_Central:87|KEGG:D01112|LINCS:LSM-37048|PMID:11594670|PMID:12833014|PMID:25016424|PMID:26398439|PMID:26483036|Patent:EP199636|Patent:US4717720|Wikipedia:Adapalene phenio.json 6-(3-(1-Adamantyl)-4-methoxyphenyl)-2-naphthoic acid|6-(3-adamantan-1-yl-4-methoxyphenyl)naphthalene-2-carboxylic acid|Adaferin|Differine|adapalene|adapaleno|adapalenum http://purl.obolibrary.org/obo/CHEBI_31174 3_STAR
CHEBI:31175 biolink:ChemicalSubstance adefovir pivoxil An organic phosphonate that is the dipivoxil ester of adefovir. A prodrug for adefovir, an HIV-1 reverse transcriptase inhibitor, adefovir pivoxil is used to treat chronic hepatitis B viral infection. CAS:142340-99-6|DrugBank:DB00718|Drug_Central:88|HMDB:HMDB0014856|KEGG:D01655|PMID:10728465|PMID:12099163|PMID:25237370|PMID:25493022|PMID:25834334|PMID:26082614|PMID:26110616|PMID:26427083|PMID:26431662|PMID:26447622|PMID:26462447|PMID:26885037|PMID:26889227|PMID:26908332|PMID:27010143|PMID:27079793|PMID:27247753|PMID:27301512|PMID:27386642|PMID:27664568|PMID:27698751|PMID:27877054|PMID:27977591|PMID:28123560|PMID:30508954|PMID:31919749|PMID:32159854|PMID:32406123|Reaxys:29413415 phenio.json (((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(oxymethylene) 2,2-dimethylpropanoate|({[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphoryl)bis(oxymethanediyl) bis(2,2-dimethylpropanoate)|9-(2-((-Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine|9-(2-((Bis((pivaloyloxy)methoxy)phosphinyl)methoxy)ethyl)adenine|Adefovir dipivoxil|GS 0840|GS 840|GS-0840|hepsera|preveon http://purl.obolibrary.org/obo/CHEBI_31175 3_STAR
CHEBI:31181 biolink:ChemicalSubstance aklavinone Beilstein:3041138|CAS:16234-96-1|KEGG:C12424 phenio.json Aclavinone|Aklavinon|Aklavinone|aklavinone|methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate http://purl.obolibrary.org/obo/CHEBI_31181 3_STAR
CHEBI:31183 biolink:ChemicalSubstance alclofenac An aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash. CAS:22131-79-9|Drug_Central:107|KEGG:D01252|PMID:18796|PMID:19205|PMID:21068|PMID:236805|PMID:237493|PMID:241593|PMID:241595|PMID:241596|PMID:241597|PMID:241598|PMID:241600|PMID:241601|PMID:241602|PMID:241603|PMID:24426|PMID:4279126|PMID:509935|PMID:6103793|PMID:6106453|PMID:6109575|PMID:6120697|PMID:6141199|PMID:7853459|PMID:7905004|Patent:BE704368|Reaxys:2116510|Wikipedia:Alclofenac phenio.json (4-Allyloxy-3-chlorphenyl)essigsaeure|3-Chloro-4-(2-propenyloxy)benzeneacetic acid|[3-chloro-4-(prop-2-en-1-yloxy)phenyl]acetic acid|[4-(allyloxy)-3-chlorophenyl]acetic acid|alclofenac|alclofenaco|alclofenacum http://purl.obolibrary.org/obo/CHEBI_31183 3_STAR
CHEBI:31184 biolink:ChemicalSubstance alclometasone dipropionate A prednisolone compound having an alpha-chloro substituent at the 7-position, an alpha-methyl substituent at the 16-position and O-propanoyl groups at the 17- and 21-positions. Beilstein:6493669|CAS:66734-13-2|DrugBank:DB00240|Drug_Central:4493|KEGG:D01820 phenio.json (7alpha,11beta,16alpha)-7-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate|Alclometasone dipropionate http://purl.obolibrary.org/obo/CHEBI_31184 3_STAR
CHEBI:31186 biolink:ChemicalSubstance alfacalcidol A member of the class of D3 vitamins that is calciol in which the hydrogen at the 1alpha position is replaced by a hydroxy group. It is an active metabolite of cholecalciferol, which performs important functions in regulation of the calcium balance and the bone metabolism. CAS:41294-56-8|DrugBank:DB01436|Drug_Central:130|HMDB:HMDB0015504|KEGG:D01518|PMID:17438884|PMID:17668216|PMID:20827552|PMID:22527138|PMID:22607568|PMID:24119718|PMID:24414552|Reaxys:2064794 phenio.json (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3-diol|(5Z,7E)-9,10-seco-5,7,10(19)-cholestatrien-1alpha,3beta-diol|1alpha-hydroxy-vitamin D3|1alpha-hydroxycholecalciferol|1alpha-hydroxyvitamin D3|9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta-diol|Alsiodol|alfacalcidol|alfacalcidolum http://purl.obolibrary.org/obo/CHEBI_31186 3_STAR
CHEBI:31199 biolink:ChemicalSubstance amcinonide CAS:51022-69-6|DrugBank:DB00288|Drug_Central:150|KEGG:D01387|Patent:DE2437847|Wikipedia:Amcinonide phenio.json 16alpha,17alpha-(cyclopentane-1,1-diyldioxy)-9-fluoro-11beta-hydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate|Triamcinolonacetatcyclopentanonid|amcinonida|amcinonide|amcinonidum http://purl.obolibrary.org/obo/CHEBI_31199 3_STAR
CHEBI:31205 biolink:ChemicalSubstance amlexanox A pyridochromene-derived monocarboxylic acid having an amino substituent at the 2-position, an oxo substituent at the 5-position and an isopropyl substituent at the 7-position. Beilstein:556384|CAS:68302-57-8|DrugBank:DB01025|Drug_Central:182|KEGG:D01828|LINCS:LSM-5432|PMID:12873507|PMID:3989816|Wikipedia:Amlexanox phenio.json 2-Amino-7-isopropyl-5-oxo-5H-(1)benzopyrano(2,3-b)pyridine-3-carboxylic acid|2-amino-5-oxo-7-(propan-2-yl)-5H-chromeno[2,3-b]pyridine-3-carboxylic acid|amlexanox|amlexanoxo|amlexanoxum http://purl.obolibrary.org/obo/CHEBI_31205 3_STAR
CHEBI:31206 biolink:ChemicalSubstance ammonium chloride An inorganic chloride having ammonium as the counterion. CAS:12125-02-9|Gmelin:10120|KEGG:C12538|KEGG:D01139|Wikipedia:Ammonium_Chloride phenio.json Ammonium chloride|Ammoniumchlorid|NH4Cl|[NH4]Cl|ammonium chloride|azanium chloride http://purl.obolibrary.org/obo/CHEBI_31206 3_STAR
CHEBI:31221 biolink:ChemicalSubstance Anetholtrithion CAS:532-11-6|Drug_Central:218|KEGG:D01584|LINCS:LSM-5969 phenio.json Anetholtrithion|Trithioanethole|anethole dithiolthione|sulfarlem|sulfogal|sulfralem|tiopropen|trithioanethole http://purl.obolibrary.org/obo/CHEBI_31221 2_STAR
CHEBI:31224 biolink:ChemicalSubstance disodium bis[mu-tartrato(4-)]diantimonate(2-) CAS:34521-09-0|Gmelin:2126025|KEGG:D01503 phenio.json Natriumantimonyltartrat|Stibnal|antimony sodium tartrate|antimonyl sodium tartrate|diantimony ditartrate disodium|disodium bis{mu-[2-(hydroxy-1kappaO)-3-(hydroxy-2kappaO)butanedioato(4-)-1kappaO(4):2kappaO(4)]}diantimonate(2-)|disodium bis{mu-[2-(hydroxy-1kappaO)-3-(hydroxy-2kappaO)succinato(4-)-1kappaO(4):2kappaO(4)]}diantimonate(2-)|sodium tartar emetic http://purl.obolibrary.org/obo/CHEBI_31224 3_STAR
CHEBI:31225 biolink:ChemicalSubstance antipyrine A pyrazolone derivative that is 1,2-dihydropyrazol-3-one substituted with methyl groups at N-1 and C-5 and with a phenyl group at N-2. CAS:60-80-0|DrugBank:DB01435|Drug_Central:861|HMDB:HMDB0015503|KEGG:C13244|KEGG:D01776|LINCS:LSM-3038|PMID:24345239|PMID:25038548|PMID:25435228|PMID:25631541|PMID:26703262|PMID:3425858|Reaxys:157775|Wikipedia:Antipyrine phenio.json 1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one|1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one|2,3-Dimethyl-1-phenyl-5-pyrazolone|Antipyrine|Phenazone|fenazona|phenazone|phenazonum http://purl.obolibrary.org/obo/CHEBI_31225 3_STAR
CHEBI:31227 biolink:ChemicalSubstance apigenin 7-O-neohesperidoside An apigenin derivative having an alpha-(1->2)-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group. CAS:17306-46-6|HMDB:HMDB0038848|KEGG:C12627|KNApSAcK:C00004157|LINCS:LSM-20984|MetaCyc:APIGENIN-7-O-NEOHESPERIDOSIDE|PMID:15631081|PMID:15974126|PMID:19771866|PMID:20222420|Reaxys:73879|Wikipedia:Rhoifolin phenio.json 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside|7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one|Apigenin 7-O-neohesperidoside|Apigenin-7-O-rhamnoglucoside|Rhoifolin|Rhoifoloside http://purl.obolibrary.org/obo/CHEBI_31227 3_STAR
CHEBI:31232 biolink:ChemicalSubstance Aranidipine CAS:86780-90-7|Drug_Central:234|KEGG:D01562 phenio.json Aranidipine|Sapresta (TN)|sapresta http://purl.obolibrary.org/obo/CHEBI_31232 2_STAR
CHEBI:31236 biolink:ChemicalSubstance aripiprazole An N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It is an antipsychotic drug used for the treatment of Schizophrenia, and other mood disorders. CAS:129722-12-9|Chemspider:54790|DrugBank:DB01238|Drug_Central:242|FooDB:FDB004879|HMDB:HMDB0005042|KEGG:C12564|KEGG:D01164|LINCS:LSM-5776|PDBeChem:9SC|PMID:12063084|PMID:12784105|PMID:14998222|PMID:15019558|PMID:15189766|PMID:15257633|PMID:15825673|PMID:16401666|PMID:16508892|PMID:16554739|PMID:16648324|PMID:16880478|PMID:17115868|PMID:17472545|PMID:17501690|PMID:18021764|PMID:18646161|PMID:18720421|PMID:18765484|PMID:18788833|PMID:19412463|PMID:19956463|PMID:20201815|PMID:30292748|PMID:30411049|PMID:30856161|PMID:31152368|PMID:31320322|PMID:32891516|PMID:33064050|PMID:33347031|Patent:EP367141|Patent:US5006528|Wikipedia:Aripiprazole phenio.json 7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butyloxy)-3,4-dihydro-2(1H)-quinolinone|7-[4-[4-[2,3-bis(chloranyl)phenyl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one|7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-1,2,3,4-tetrahydroquinolin-2-one|7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-3,4-dihydroquinolin-2(1H)-one|Abilify|Abilify Discmelt|Abilify Maintena|Abilify MyCite|Abilitat|Arpizol|Asprito|Discmelt|OPC 14597|OPC 31|OPC-14597|OPC-31|Pripiprazole|aripiprazol|aripiprazole|aripiprazolum http://purl.obolibrary.org/obo/CHEBI_31236 3_STAR
CHEBI:31243 biolink:ChemicalSubstance atazanavir sulfate CAS:229975-97-7|DrugBank:DB01072|KEGG:D01276 phenio.json Reyataz|dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate sulfate http://purl.obolibrary.org/obo/CHEBI_31243 3_STAR
CHEBI:3127 biolink:ChemicalSubstance bisoprolol CAS:66722-44-9|DrugBank:DB00612|Drug_Central:380|KEGG:C06852|KEGG:D02342|LINCS:LSM-1886|Patent:BE859425|Patent:US4258062|Wikipedia:Bisoprolol phenio.json (+-)-1-((alpha-(2-Isopropoxyethoxy)-p-tolyl)oxy)-3-(isopropylamino)-2-propanol|(RS)-1-(4-(2-Isopropoxyethoxymethyl)phenoxy)-3-(isopropylamino)-2-propanol|1-{4-[(2-isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)propan-2-ol|Bisoprolol|bisoprolol|bisoprololum http://purl.obolibrary.org/obo/CHEBI_3127 3_STAR
CHEBI:31276 biolink:ChemicalSubstance betamethasone dipropionate A steroid ester that is betamethasone in which the hydroxy hydrogens at positions 17 and 21 are replaced by propanoyl groups. It is used in combination with calcipotriene hydrate, a synthetic vitamin D analogue, for the topical treatment of plaque psoriasis in adult patients. CAS:5593-20-4|DrugBank:DB00443|Drug_Central:353|KEGG:D01637|PMID:23621170|PMID:24533503|PMID:24593129|PMID:24684739|PMID:24684740|PMID:24980277|PMID:25279474|PMID:25307472|PMID:25355140|PMID:25410121|PMID:25412565|PMID:25556056|PMID:25566573|PMID:25607705|PMID:26094549|PMID:26444907|PMID:26659941|Reaxys:3638108|Wikipedia:Betamethasone_Dipropionate phenio.json 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione-17,21-dipropionate|9-fluoro-11beta-hydroxy-16beta-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate|Betamethasone 17,21-dipropionate http://purl.obolibrary.org/obo/CHEBI_31276 3_STAR
CHEBI:31277 biolink:ChemicalSubstance betamethasone valerate A steroid ester that is betamethasone in which the hydroxy group at the 17alpha position has been converted to the corresponding pentanoate ester. Beilstein:4240001|CAS:2152-44-5|DrugBank:DB00443|Drug_Central:354|KEGG:D01357|Patent:NL6406615 phenio.json 9-Fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione-17-valerate|9-fluoro-11beta,21-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate|9-fluoro-11beta,21-dihydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate|Betamethasone 17-valerate http://purl.obolibrary.org/obo/CHEBI_31277 3_STAR
CHEBI:31286 biolink:ChemicalSubstance bifonazole A racemate comprising equimolar amounts of R- and S-bifonazole. It is a broad spectrum antifungal drug used for the treatment of fungal skin and nail infections. CAS:60628-96-8|DrugBank:DB04794|HMDB:HMDB0015583|KEGG:D01775|PMID:21746947|PMID:23066185|PMID:23283047|PMID:23467055|PMID:23586591|PMID:24215461|PMID:24849495|Reaxys:618427|Wikipedia:Bifonazole phenio.json (+-)-1-(p,alpha-Diphenylbenzyl)imidazole|(+-)-bifonazole|(+-)1-([1,1'-Biphenyl]-4-ylphenylmethyl)-1H-imidazole|(RS)-bifonazole|1-((4-Biphenylyl)phenylmethyl)-1H-imidazole|1-(alpha-(4-Biphenylyl)benzyl)imidazole|Mycospor|bifonazol|bifonazole|bifonazolum|rac-1-[biphenyl-4-yl(phenyl)methyl]-1H-imidazole|rac-bifonazole|racemic bifonazole http://purl.obolibrary.org/obo/CHEBI_31286 3_STAR
CHEBI:31296 biolink:ChemicalSubstance Blonanserin CAS:132810-10-7|Drug_Central:388|KEGG:D01176 phenio.json AD 5423|AD-5423|Blonanserin|lonasen http://purl.obolibrary.org/obo/CHEBI_31296 2_STAR
CHEBI:31302 biolink:ChemicalSubstance Bromazepam CAS:1812-30-2|Drug_Central:399|HMDB:HMDB0015511|KEGG:D01245 phenio.json Bromazepam|Lectopam (TN)|durazanil http://purl.obolibrary.org/obo/CHEBI_31302 2_STAR
CHEBI:31305 biolink:ChemicalSubstance Bromperidol CAS:10457-90-6|Drug_Central:407|KEGG:D01101|LINCS:LSM-5849 phenio.json Bromperidol|azurene|bromoperidol|bromperidol HCl|bromperidol hydrochloride|impromen|tesoprel http://purl.obolibrary.org/obo/CHEBI_31305 2_STAR
CHEBI:31307 biolink:ChemicalSubstance Bropirimine CAS:56741-95-8|Drug_Central:3689|KEGG:C13127|KEGG:D01666|PDBeChem:977 phenio.json Bropirimine http://purl.obolibrary.org/obo/CHEBI_31307 2_STAR
CHEBI:31312 biolink:ChemicalSubstance Bucillamine CAS:65002-17-7|Drug_Central:414|KEGG:D01809 phenio.json Bucillamine|N-(2-Mercapto-2-methylpropionyl)-L-cysteine|rimatil|thiobutarit|tiobutarit http://purl.obolibrary.org/obo/CHEBI_31312 2_STAR
CHEBI:3133 biolink:ChemicalSubstance bitolterol The di-4-toluate ester of (+-)-N-tert-butylnoradrenaline (colterol). A pro-drug for colterol, a beta2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema. CAS:30392-40-6|DrugBank:DB00901|Drug_Central:384|KEGG:C06853|KEGG:D07534|PMID:3278878|PMID:473792|Patent:DE2015573|Patent:US4138581|Reaxys:2229527|Wikipedia:Bitolterol phenio.json 4-(2-(tert-butylamino)-1-hydroxyethyl)-o-phenylene di-p-toluate|4-[2-(tert-butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluate|4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate)|bis(4-methylbenzoic acid) 4-[2-(tert-butylamino)-1-hydroxyethyl]-1,2-phenylene ester|bitolterol|bitolterolum http://purl.obolibrary.org/obo/CHEBI_3133 3_STAR
CHEBI:31331 biolink:ChemicalSubstance Cadralazine CAS:64241-34-5|Drug_Central:461|HMDB:HMDB0041845|KEGG:D01804 phenio.json Cadralazine|cadral|cadraten|cadrilan http://purl.obolibrary.org/obo/CHEBI_31331 2_STAR
CHEBI:31348 biolink:ChemicalSubstance capecitabine A carbamate ester that is cytidine in which the hydrogen at position 5 is replaced by fluorine and in which the amino group attached to position 4 is converted into its N-(penyloxy)carbonyl derivative. Capecitabine is a antineoplastic agent used in the treatment of cancers. CAS:154361-50-9|DrugBank:DB01101|Drug_Central:480|HMDB:HMDB0015233|KEGG:C12650|KEGG:D01223|LINCS:LSM-5705|Reaxys:8583270|Wikipedia:Capecitabine phenio.json (1-(5-Deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinyl)-carbamic acid pentyl ester|5'-deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine|Capecitabin|Pentyl [1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-2-oxo-1,2-dihydropyrimidin-4-yl]carbamate|Xeloda|capecitabina|capecitabine|capecitabinum|pentyl 1-(5-deoxy-beta-D-ribofuranosyl)-5-fluoro-1,2-dihydro-2-oxo-4-pyrimidinecarbamate http://purl.obolibrary.org/obo/CHEBI_31348 3_STAR
CHEBI:31355 biolink:ChemicalSubstance carboplatin A platinum coordination entity with cis square-planar geometry in which platinum(II) is coordinated to two ammonia ligands and a bidentate cyclobutane-1,1-dicarboxylate ligand. CAS:41575-94-4|DrugBank:DB00958|Gmelin:1044703|Gmelin:51428|HMDB:HMDB0015093|KEGG:D01363|LINCS:LSM-4265|PDBeChem:QPT|PMID:11666286|PMID:14568240|PMID:15896850|PMID:16411667|PMID:17180231|PMID:17497898|PMID:17655933|PMID:18336396|PMID:1855275|PMID:19774597|PMID:21629880|PMID:22525758|PMID:23143236|PMID:23275170|PMID:23396873|PMID:24121332|PMID:25195879|PMID:25195881|PMID:26000441|PMID:26239545|PMID:26327386|PMID:26893290|PMID:28511060|PMID:29632935|PMID:31567140|PMID:31930743|PMID:32072678|PMID:32487607|PMID:32579504|PMID:33052033|PMID:33324858|PMID:33542435|PMID:33716231|PMID:33807309|PMID:33814494|PMID:33829940|PMID:33885718|PMID:9654475|Patent:DE2329485|Reaxys:11327310|Reaxys:11335262|Reaxys:15523471|Wikipedia:Carboplatin phenio.json (SP-4-2)-diammine[cyclobutane-1,1-dicarboxylato(2-)-kappa(2)O,O']platinum|Carboplatin|Paraplatin|carboplatin|carboplatine|carboplatino|carboplatinum|cbdca|cis-(1,1-cyclobutanedicarboxylato)diammineplatinum(II)|cis-diammine(1,1-cyclobutanedicarboxylato)platinum|cis-diammine(1,1-cyclobutanedicarboxylato)platinum(II) http://purl.obolibrary.org/obo/CHEBI_31355 3_STAR
CHEBI:31359 biolink:ChemicalSubstance carminomycin A toxic anthracycline antibiotic that is produced by Actinomadura carminata and also has potent antineoplastic activity. CAS:39472-31-6|Drug_Central:510|KEGG:C12432|MetaCyc:CPD-15734|PMID:1020931|PMID:1020945|PMID:1037187|PMID:1037188|PMID:1101812|PMID:210711|PMID:21199801|PMID:334058|PMID:350145|PMID:3631931|PMID:411416|PMID:629523|PMID:6546298|PMID:6582798|PMID:677842|PMID:677851|PMID:677854|PMID:6943332|PMID:79334|PMID:798543|PMID:883801|PMID:883808|PMID:911158|PMID:999239|Patent:US2006100421|Patent:WO2006104668|Reaxys:1674904 phenio.json (1S,3S)-3-acetyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside|CCRIS 961|Karminomycin|O-Demethyldaunomycin|carubicin http://purl.obolibrary.org/obo/CHEBI_31359 3_STAR
CHEBI:31360 biolink:ChemicalSubstance Carmofur CAS:61422-45-5|Drug_Central:511|KEGG:D01784|LINCS:LSM-5293 phenio.json 1-hexylcarbamoyl-5-fluorouracil|Carmofur|mifurol|yamaful http://purl.obolibrary.org/obo/CHEBI_31360 2_STAR
CHEBI:313639 biolink:ChemicalSubstance profenamine A member of the class of phenothiazines that is phenothiazine in which the hydrogen attached to the nitrogen is substituted by a 2-(diethylamino)propyl group. An antimuscarinic, it is used as the hydrochloride for the symptomatic treatment of Parkinson's disease. CAS:522-00-9|DrugBank:DB00392|Drug_Central:1086|HMDB:HMDB0014536|KEGG:D08426|LINCS:LSM-1342|PMID:17459789|PMID:6539933|Patent:US2607773|Reaxys:89828|Wikipedia:Ethopropazine phenio.json 10-(2-diethylaminopropyl)phenothiazine|10-[2-(diethylamino)-1-propyl]phenothiazine|10-[2-(diethylamino)-2-methylethyl]phenothiazine|10-[2-(diethylamino)propyl]phenothiazine|2-diethylamino-1-propyl-N-dibenzoparathiazine|N,N-diethyl-1-(10H-phenothiazin-10-yl)-2-propanamine|N,N-diethyl-1-(10H-phenothiazin-10-yl)propan-2-amine|N,N-diethyl-alpha-methyl-10H-phenothiazine-10-ethanamine|ethopropazine|profenamina|profenamine|profenaminum http://purl.obolibrary.org/obo/CHEBI_313639 3_STAR
CHEBI:31389 biolink:ChemicalSubstance chelidonine Beilstein:4275089|Beilstein:97913|CAS:476-32-4|KEGG:C12242|KNApSAcK:C00024623|LINCS:LSM-2715 phenio.json (+)-chelidonine|Chelidonin|Chelidonine|Helidonine|Khelidonin|Stylophorin|chelidonine http://purl.obolibrary.org/obo/CHEBI_31389 3_STAR
CHEBI:31394 biolink:ChemicalSubstance Chlormadinone acetate CAS:302-22-7|Drug_Central:600|KEGG:C12729|KEGG:D01299 phenio.json Chlormadinone acetate|chlormadinon|chlormadinon acetate|chlormadinone acetate|menstridyl http://purl.obolibrary.org/obo/CHEBI_31394 2_STAR
CHEBI:31398 biolink:ChemicalSubstance ciclopirox olamine The ethanolamine salt of ciclopirox. A broad spectrum antigfungal agent, it also exhibits antibacterial activity against many Gram-positive and Gram-negative bacteria, and has anti-inflammatory properties. It is used a a topical treatment of fungal skin and nail infections. Beilstein:6494273|CAS:41621-49-2|DrugBank:DBSALT001147|KEGG:D01364|PMID:17346860|PMID:17540482|PMID:20196642|PMID:22114686|PMID:24273151|PMID:27138296|PMID:27396756|PMID:29535812|PMID:29908958|PMID:31006674|PMID:31334080|PMID:32140390|PMID:33051708|PMID:33784251|PMID:33796559 phenio.json 2-hydroxyethanaminium 6-cyclohexyl-4-methyl-2-oxopyridin-1(2H)-olate|Batrafen|Brumixol|HOE 296|HOE-296|Loprox|Micoxolamina|Mycoster|ciclopirox ethanolamine salt http://purl.obolibrary.org/obo/CHEBI_31398 3_STAR
CHEBI:31399 biolink:ChemicalSubstance cilnidipine A diesterified 1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium channel blocker, it is used as an antihypertensive. CAS:132203-70-4|Drug_Central:642|KEGG:D01173|Patent:EP161877|Patent:US4672068|Wikipedia:Cilnidipine phenio.json (+-)-(E)-cinnamyl 2-methoxyethyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate|2-methoxyethyl (2E)-3-phenylprop-2-en-1-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate|cilnidipine http://purl.obolibrary.org/obo/CHEBI_31399 3_STAR
CHEBI:31401 biolink:ChemicalSubstance cilostazol A lactam that is 3,4-dihydroquinolin-2(1H)-one in which the hydrogen at position 6 is substituted by a 4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy group. Beilstein:3632017|CAS:73963-72-1|DrugBank:DB01166|Drug_Central:644|KEGG:D01896|LINCS:LSM-3491|PMID:17500510|PMID:9873372|Patent:BE878548|Patent:US4277479|VSDB:1939|Wikipedia:Cilostazol phenio.json 3,4-dihydro-6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-2(1H)-quinolinone|6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydro-2(1H)-quinolinone|6-(4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydrocarbostyril|6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)-butoxy]-3,4-dihydro-1H-quinolin-2-one|6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one|cilostazol|cilostazolum http://purl.obolibrary.org/obo/CHEBI_31401 3_STAR
CHEBI:31403 biolink:ChemicalSubstance cinnarizine Beilstein:626121|CAS:298-57-7|Chemspider:1264793|DrugBank:DB00568|Drug_Central:654|KEGG:D01295|LINCS:LSM-42858|PMID:12609783|PMID:24134630|PMID:28386684|PMID:28567501|PMID:29175776|PMID:29807074|PMID:30322124|PMID:30803454|PMID:30868302|PMID:31420703|PMID:31707814|PMID:31750127|PMID:32597267|PMID:32904111|PMID:33359616|PMID:33946152|PMID:34466453|PMID:7000939|Patent:US2882271|Wikipedia:Cinnarizine phenio.json 1-(Diphenylmethyl)-4-(3-phenyl-2-propenyl)piperazine|1-(diphenylmethyl)-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine|1-Benzhydryl-4-cinnamylpiperazin|1-Cinnamyl-4-(diphenylmethyl)piperazine|cinarizina|cinnarizine|cinnarizinum http://purl.obolibrary.org/obo/CHEBI_31403 3_STAR
CHEBI:31413 biolink:ChemicalSubstance clobazam 7-Chloro-1H-1,5-benzodiazepine-2,4(3H,5H)-dione in which the hydrogen attached to the nitrogen at position 1 is substituted by a methyl group, whilst that attached to the other nitrogen is substituted by a phenyl group. It is used for the short-term management of acute anxiety and as an adjunct in the treatment of epilepsy in association with other antiepileptics. CAS:22316-47-8|DrugBank:DB00349|Drug_Central:682|HMDB:HMDB0014493|KEGG:D01253|PMID:11129898|PMID:12873507|PMID:16190747|PMID:1977910|PMID:19810886|PMID:21982812|PMID:22128252|PMID:22145708|PMID:22242724|PMID:22293514|PMID:22345881|PMID:22383262|PMID:22422635|PMID:22449211|PMID:22695038|PMID:22727658|PMID:22749457|PMID:22883278|PMID:22955137|PMID:22964442|PMID:22982618|PMID:23006671|Patent:BE707667|Patent:US3984398|Reaxys:758410|Wikipedia:Clobazam phenio.json 1-phenyl-5-methyl-8-chloro-1,2,4,5-tetrahydro-2,4-dioxo-3H-1,5-benzodiazepine|7-Chloro-1-methyl-5-phenyl-1,5-dihydro-benzo[b][1,4]diazepine-2,4-dione|7-chloro-1-methyl-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione|CLOBAZAM|clobazam|clobazamum http://purl.obolibrary.org/obo/CHEBI_31413 3_STAR
CHEBI:31414 biolink:ChemicalSubstance clobetasol propionate The 17-O-propionate ester of clobetasol. A potent corticosteroid, it is used to treat various skin disorders, including exzema and psoriasis. Beilstein:4769432|CAS:25122-46-7|DrugBank:DB01013|Drug_Central:4452|KEGG:D01272|Wikipedia:Clobetasol phenio.json 21-chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate|21-chloro-9-fluoro-11beta-hydroxy-16beta-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate|clobetasol 17-propanoate|clobetasol 17-propionate http://purl.obolibrary.org/obo/CHEBI_31414 3_STAR
CHEBI:31415 biolink:ChemicalSubstance Clobetasone butyrate CAS:25122-57-0|Drug_Central:3911|KEGG:D01273 phenio.json 21-Chloro-11-dehydrobetamethasone|Clobetasone butyrate|clobetasone 17-butyrate|clobetasone butyrate http://purl.obolibrary.org/obo/CHEBI_31415 2_STAR
CHEBI:31421 biolink:ChemicalSubstance Clorexolone CAS:2127-01-7|Drug_Central:712|KEGG:D01436 phenio.json Clorexolone|chlorexolone|clorexolon http://purl.obolibrary.org/obo/CHEBI_31421 2_STAR
CHEBI:31424 biolink:ChemicalSubstance Clotiapine CAS:2058-52-8|Drug_Central:717|KEGG:D01597|LINCS:LSM-19970 phenio.json Clothiapine|Clotiapine|clothiapin|clothiapine|entumine http://purl.obolibrary.org/obo/CHEBI_31424 2_STAR
CHEBI:31425 biolink:ChemicalSubstance Clotiazepam CAS:33671-46-4|Drug_Central:718|HMDB:HMDB0015512|KEGG:D01328 phenio.json Clotiazepam http://purl.obolibrary.org/obo/CHEBI_31425 2_STAR
CHEBI:31426 biolink:ChemicalSubstance cloxazolam CAS:24166-13-0|Drug_Central:721|KEGG:D01268 phenio.json cloxazolazepam http://purl.obolibrary.org/obo/CHEBI_31426 2_STAR
CHEBI:31446 biolink:ChemicalSubstance Cyclofenil CAS:2624-43-3|Drug_Central:753|KEGG:D01281 phenio.json Cyclofenil|cyclofenyl|cyclopenil|cyclophenil|cyclophenyl|fertodur|ondogyne http://purl.obolibrary.org/obo/CHEBI_31446 2_STAR
CHEBI:31448 biolink:ChemicalSubstance cyclothiazide 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted at positions 3, 5 and 6 by a 2-norbornen-5-yl group, chlorine, and a sulfonamide group, respectively. A thiazide diuretic, it has been used in the management of hypertension and oedema. Beilstein:722843|CAS:2259-96-3|DrugBank:DB00606|Drug_Central:761|KEGG:C12685|KEGG:D01256|LINCS:LSM-4421|PDBeChem:CYZ|PMID:19338354|Patent:US3275625|Wikipedia:Cyclothiazide phenio.json 3-(bicyclo[2.2.1]hept-5-en-2-yl)-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-chloro-3,4-dihydro-3-(2-norbornen-5-yl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-chloro-3,4-dihydro-3-(2-norbornen-5-yl)-7-sulfamoyl-1,2,4-benzothiadiazine 1,1-dioxide|6-chloro-3,4-dihydro-3-(5-norbornen-2-yl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-chloro-3-(2-norbornen-5-yl)-7-sulfamyl-3,4-dihydro-1,2,4-benzothiadiazine 1,1-dioxide|Cyclothiazide|ciclotiazida|cyclothiazide|cyclothiazidum http://purl.obolibrary.org/obo/CHEBI_31448 3_STAR
CHEBI:31463 biolink:ChemicalSubstance delphinidin 3-O-beta-D-glucoside An anthocyanin cation consisting of delphinidin having a beta-D-glucosyl residue attached at the 3-hydroxy position. CAS:50986-17-9|HMDB:HMDB0037997|KEGG:C12138|KNApSAcK:C00006698|LIPID_MAPS_instance:LMPK12010278|PMID:24493900|Reaxys:1695888|Wikipedia:Delphinidin-3-O-glucoside phenio.json 5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-3-yl beta-D-glucopyranoside|Delphinidin 3-O-beta-D-glucoside|Delphinidin 3-O-glucoside|Delphinidin 3-glucoside|delfinidin 3-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_31463 3_STAR
CHEBI:3148 biolink:ChemicalSubstance Boldine CAS:476-70-0|KEGG:C09365|KNApSAcK:C00001822|KNApSAcK:C00027304|LINCS:LSM-2047 phenio.json Boldine http://purl.obolibrary.org/obo/CHEBI_3148 2_STAR
CHEBI:31488 biolink:ChemicalSubstance N-acylsphinganine A ceramide consisting of sphinganine in which one of the amino hydrogens is substituted by a fatty acyl group. KEGG:C12126|LIPID_MAPS_class:LMSP0202 phenio.json Dihydroceramide|N-Acylsphinganine|N-acyldihydrosphingosine|N-acyldihydrosphingosines|N-acylsphinganines|an N-acylsphinganine|dihydroceramides http://purl.obolibrary.org/obo/CHEBI_31488 3_STAR
CHEBI:315019 biolink:ChemicalSubstance cilofungin A cyclic hexapeptide echinocandin antibiotic isolated from Aspergillus spp. By inhibiting the conversion of lanosterol to ergosterol, it invades a fungus' ability to synthesize cell walls. A modified form of echinocandin B, it is an antimycotic agent against Candida albicans. CAS:79404-91-4|PMID:2504601|PMID:2589848|PMID:2802565|PMID:3058017|PMID:3243737|Reaxys:7164873|Wikipedia:Cilofungin phenio.json 5.1:6-anhydro{(4R,5R)-4,5-dihydroxy-N(2)-[4-(octyloxy)benzoyl]-L-ornithyl-L-threonyl-(4R)-4-hydroxy-L-prolyl-(4S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-L-threonyl-(3S,4S)-3-hydroxy-4-methyl-L-proline}|LY-121019|LY121019|N-{(2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis[(1R)-1-hydroxyethyl]-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl}-4-(octyloxy)benzamide|cilofungin|cilofungina|cilofungine|cilofunginum http://purl.obolibrary.org/obo/CHEBI_315019 3_STAR
CHEBI:31515 biolink:ChemicalSubstance domperidone 1-[3-(Piperidin-1-yl)propyl]-1,3-dihydro-2H-benzimidazol-2-one in which the 4-position of the piperidine ring is substituted by a 5-chloro-1,3-dihydro-2H-benzimidazol-2-on-1-yl group. A dopamine antagonist, it is used as an antiemetic for the short-term treatment of nausea and vomiting, and to control gastrointestinal effects of dopaminergic drugs given in the management of parkinsonism. The free base is used in oral suspensions, while the maleate salt is used in tablet preparations. Beilstein:903774|CAS:57808-66-9|DrugBank:DB01184|Drug_Central:945|KEGG:D01745|LINCS:LSM-2850|Patent:DE2632870|Patent:US4066772 phenio.json 1-(3-(4-(5-chloro-2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)piperidin-1-yl)propyl)-1H-benzo[d]imidazol-2(3H)-one|5-chloro-1-(1-(3-(2-oxo-1-benzimidazolinyl)propyl)-4-piperidyl)-2-benzimidazolinone|5-chloro-1-(1-(3-(2-oxo-2,3-dihydrobenzo[d]imidazol-1-yl)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one|5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one|5-chloro-1-{1-[3-(2-oxo-2,3-dihydro-benzoimidazol-1-yl)-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one|domperidona|domperidone|domperidonum http://purl.obolibrary.org/obo/CHEBI_31515 3_STAR
CHEBI:31516 biolink:ChemicalSubstance Doramectin CAS:117704-25-3|KEGG:D01129 phenio.json Doramectin http://purl.obolibrary.org/obo/CHEBI_31516 2_STAR
CHEBI:31521 biolink:ChemicalSubstance doxifluridine A pyrimidine 5'-deoxyribonucleoside that is 5-fluorouridine in which the hydroxy group at the 5' position is replaced by a hydrogen. It is an oral prodrug of the antineoplastic agent 5-fluorouracil. Designed to circumvent the rapid degradation of 5-fluorouracil by dihydropyrimidine dehydrogenase in the gut wall, it is converted into 5-fluorouracil in the presence of pyrimidine nucleoside phosphorylase. CAS:3094-09-5|Drug_Central:958|HMDB:HMDB0060406|KEGG:C12739|KEGG:D01309|LINCS:LSM-6359|PMID:19101214|PMID:21234714|PMID:23564503|PMID:2947416|PMID:3020904|Patent:US4071680|Reaxys:890191 phenio.json 1-(beta-D-5-desoxyribofuranoxyl)-5-fluoruracil|5'-DFUR|5'-Dfur|5'-dFUrd|5'-deoxy-5-fluorouridine|5-fluoro-5'-deoxyuridine|Doxifluridine|Furtulon|Ro 21-9738|Ro 219738|doxifluridina|doxifluridine|doxifluridinum http://purl.obolibrary.org/obo/CHEBI_31521 3_STAR
CHEBI:31524 biolink:ChemicalSubstance droxidopa A serine derivative that is L-serine substituted at the beta-position by a 3,4-dihydroxyphenyl group. A prodrug for noradrenalone, it is used for treatment of neurogenic orthostatic hypotension CAS:23651-95-8|DrugBank:DB06262|Drug_Central:971|HMDB:HMDB0015627|KEGG:D01277|PMID:11710796|PMID:20063034|PMID:20207766|PMID:20220040|PMID:21705113|PMID:22561478|PMID:22610782|PMID:23224983|PMID:24224390|PMID:24326693|PMID:24517276|PMID:24644107|PMID:24729712|PMID:24883005|PMID:24944260|PMID:24958960|Patent:JP2005247828|Patent:NZ579368|Patent:US2008221170|Patent:US2012010293|Patent:US2013253061|Reaxys:7112431|Wikipedia:Droxidopa phenio.json (-)-(2S,3R)-2-amino-3-hydroxy-3-(3,4-dihydroxyphenyl)propanoic acid|(2S,3R)-3,4-dihydroxy-phenylserine|(betaR)-beta,3-dihydroxy-L-tyrosine|Dops|Droxydopa|L-DOPS|L-Dihydroxyphenylserine|L-Threodops|L-threo-dihydroxyphenylserine|Northera|SM 5688|droxidopa|droxidopum|threo-Dopaserine http://purl.obolibrary.org/obo/CHEBI_31524 3_STAR
CHEBI:31527 biolink:ChemicalSubstance dydrogesterone Beilstein:3121425|CAS:152-62-5|DrugBank:DB00378|Drug_Central:975|KEGG:D01217|Wikipedia:Dydrogesterone phenio.json 10alpha-Isopregnenone|6-Dehydro-retro-progesterone|9beta,10alpha-pregna-4,6-diene-3,20-dione|Hydrogesterone|Hydrogestrone|Isopregnenone|Retro-6-dehydroprogesterone|delta(6)-Retroprogesterone|delta(sup 6)-Retroprogesterone|didrogesterona|dydrogesterone|dydrogesteronum http://purl.obolibrary.org/obo/CHEBI_31527 3_STAR
CHEBI:31528 biolink:ChemicalSubstance Ebastine CAS:90729-43-4|Drug_Central:977|HMDB:HMDB0060159|KEGG:D01478 phenio.json Ebastine|Kestine (TN)|bastel|ebastel|ebastin|erostin|kestine http://purl.obolibrary.org/obo/CHEBI_31528 2_STAR
CHEBI:31529 biolink:ChemicalSubstance ecgonine methyl ester The O-debenzoyl analogue of cocaine. CAS:7143-09-1|DrugBank:DB04688|KEGG:C12448|PDBeChem:ECG|PMID:11469854|PMID:16472740|PMID:20052577|PMID:20077067|PMID:21046786|PMID:21885621|PMID:22018173|Reaxys:83529 phenio.json (1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-ol|Methyl ecgonine|methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_31529 3_STAR
CHEBI:31530 biolink:ChemicalSubstance edaravone A pyrazolone that is 2,4-dihydro-3H-pyrazol-3-one which is substituted at positions 2 and 5 by phenyl and methyl groups, respectively. Beilstein:609575|CAS:89-25-8|Drug_Central:4156|Gmelin:241147|HMDB:HMDB0006240|KEGG:C13008|KEGG:D01552|LINCS:LSM-5486|PMID:12935312|PMID:14758002|PMID:15304976|PMID:16545576|PMID:17280782|PMID:17997244|PMID:18485133|PMID:25348283|PMID:26196041|PMID:26778341|PMID:27018216|PMID:27037019|PMID:27056755|PMID:27116382|PMID:27128210 phenio.json 1-phenyl-3-methyl-5-oxo-2-pyrazoline|2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one|3-methyl-1-phenyl-2-pyrazolin-5-one|3-methyl-1-phenyl-5-pyrazolone|3-methyl-1-phenylpyrazol-5-one|5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one|C.I. developer 1|Edaravone|Radicut|developer Z|methylphenylpyrazolone|norphenazone|phenyl methyl pyrazolone|phenylmethylpyrazolone http://purl.obolibrary.org/obo/CHEBI_31530 3_STAR
CHEBI:31536 biolink:ChemicalSubstance emtricitabine An organofluorine compound that is 5-fluorocytosine substituted at the 1 position by a 2-(hydroxymethyl)-1,3-oxathiolan-5-yl group (2R,5S configuration). It is used in combination therapy for the treatment of HIV-1 infection. Beilstein:5908714|CAS:143491-57-0|DrugBank:DB00879|Drug_Central:1003|KEGG:C12599|KEGG:D01199|PDBeChem:ETV|PMID:11491420|PMID:14609348|PMID:14693538|PMID:15206508|PMID:15249567|PMID:15588339|PMID:15875341|PMID:15977972|PMID:16034488|PMID:16323102|PMID:16401810|PMID:17526857|PMID:19493710|PMID:22915463|PMID:22917277|PMID:22935078|PMID:23337366|PMID:23361642|PMID:25017682|Patent:US5538975|Patent:WO9214743|Wikipedia:Emtricitabine phenio.json (-)-(2R,5S)-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]cytosine|(-)-2'-deoxy-5-fluoro-3'-thiacytidine|(-)-FTC|(-)-beta-2',3'-dideoxy-5-fluoro-3'-thiacytidine|(-)-cis-4-amino-5-fluoro-1-(2-hydroxymethyl-1,3-oxathiolan-5-yl)-(1H)-pyrimidin-2-one|(2R-cis)-4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-pyrimidinone|4-Amino-5-fluoro-1-((2R,5S)-2-hydroxymethyl-[1,3]oxathiolan-5-yl)-1H-pyrimidin-2-one|4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-2(1H)-one|4-amino-5-fluoro-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one|5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl)cytosine|EMTRICITABINE|Emtricitabine http://purl.obolibrary.org/obo/CHEBI_31536 3_STAR
CHEBI:31537 biolink:ChemicalSubstance Enocitabine CAS:55726-47-1|Drug_Central:1012|KEGG:D01633 phenio.json Enocitabine|behenoylcytosine arabinoside|sunrabin http://purl.obolibrary.org/obo/CHEBI_31537 2_STAR
CHEBI:31539 biolink:ChemicalSubstance epalrestat A monocarboxylic acid that is 1,3-thiazolidine which is substituted on the nitrogen by a carboxymethyl group, at positions 2 and 4 by thioxo and oxo groups, respectively, and at position 5 by a 2-methyl-3-phenylprop-2-en-1-ylidene group. It is an inhibitor of aldose reductase (which catalyses the conversion of glucose to sorbitol) and is used for the treatment of some diabetic complications, including neuropathy. CAS:82159-09-9|Drug_Central:1021|KEGG:D01688|PDBeChem:EPR|PMID:19716319|PMID:22820572|PMID:23426701|PMID:24363998|PMID:3025043|Patent:EP47109|Patent:US4464382|Reaxys:4236712|Wikipedia:Epalrestat phenio.json 5-((1Z,2E)-2-methyl-3-phenylpropenylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid|5-((Z,E)-beta-methylcinnamylidene)-4-oxo-2-thioxo-3-thiazolidineacetic acid|Kinedak|ONO 2|ONO-2|ONO-2235|Ono 2235|epalrestat|epalrestatum|{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid http://purl.obolibrary.org/obo/CHEBI_31539 3_STAR
CHEBI:31547 biolink:ChemicalSubstance eplerenone CAS:107724-20-9|DrugBank:DB00700|Drug_Central:1032|KEGG:C12512|KEGG:D01115|Wikipedia:Eplerenone phenio.json 7alpha-methoxycarbonyl-3-oxo-9,11alpha-epoxy-17alpha-pregn-4-ene-21,17-carbolactone|Eplerenone|Epoxymexrenone|Inspra|eplerenone http://purl.obolibrary.org/obo/CHEBI_31547 3_STAR
CHEBI:31549 biolink:ChemicalSubstance epothilone A An epithilone that is epothilone C in which the double bond in the macrocyclic lactone ring has been oxidised to the corresponding epoxide (the 13R,14S diastereoisomer). KEGG:C12153|LIPID_MAPS_instance:LMPK04000040|PDBeChem:EP|PMID:10831849|PMID:11133086|PMID:16134928|PMID:18271516|PMID:9873670|Patent:DE4138042|Reaxys:7555910 phenio.json (-)-epothilone A|(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione|(1S,7S,10R,11S,12S,16R)-7-Hydroxy-11-(S)-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methyl-thiazol-4-yl)-vinyl]-4,17-dioxa-bicyclo[14.1.0]heptadecane-5,9-dione|EPOTHILONE A|Epo A|Epothilone A|epothilone A http://purl.obolibrary.org/obo/CHEBI_31549 3_STAR
CHEBI:31550 biolink:ChemicalSubstance epothilone B An epithilone that is epithilone D in which the double bond in the macrocyclic ring has been oxidised to the corresponding epoxide (the S,S stereoisomer). CAS:152044-54-7|DrugBank:DB03010|KEGG:C12154|KNApSAcK:C00044747|LIPID_MAPS_instance:LMPK04000041|PDBeChem:EPB|PMID:10831849|PMID:21743064|PMID:22234539|PMID:22688083|PMID:22918719|PMID:23205945|PMID:23214997|PMID:23801302|PMID:24374386|PMID:24470546|PMID:24583341|PMID:24913659|PMID:25694444|PMID:25721485|PMID:25765066|PMID:25919223|PMID:26081685|PMID:26308485|PMID:26316786|Reaxys:7556514 phenio.json (-)-epothilone B|(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione|EPO 906|Epo B|EpoB|epothilone B|patupilona|patupilone|patupilonum http://purl.obolibrary.org/obo/CHEBI_31550 3_STAR
CHEBI:31573 biolink:ChemicalSubstance Ethyl loflazepate CAS:29177-84-2|Drug_Central:1092|KEGG:D01293 phenio.json CM 6912|CM-6912|CM6912|Ethyl loflazepate|ethyl flucozepate|meilax|victan http://purl.obolibrary.org/obo/CHEBI_31573 2_STAR
CHEBI:31575 biolink:ChemicalSubstance ethylparaben An ethyl ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with ethanol, CAS:120-47-8|Drug_Central:4773|HMDB:HMDB0032573|KEGG:D01647|KNApSAcK:C00033837|PDBeChem:E4B|PMID:26901724|PMID:27106519|PMID:27377865|Reaxys:1101972|Wikipedia:Ethylparaben phenio.json 4-hydroxybenzoic acid ethyl ester|E-214|E214|Ethyl parahydroxybenzoate|ethyl 4-hydroxybenzoate|ethyl p-hydroxybenzoate|ethyl paraben|p-Oxybenzoesaeureaethylester|p-hydroxybenzoic acid ethyl ester http://purl.obolibrary.org/obo/CHEBI_31575 3_STAR
CHEBI:31577 biolink:ChemicalSubstance ethylenediamine derivative Any organic amino compound that is a derivative of ethylenediamine. phenio.json ethylenediamine derivatives http://purl.obolibrary.org/obo/CHEBI_31577 3_STAR
CHEBI:31580 biolink:ChemicalSubstance ethynodiol diacetate Beilstein:3040143|CAS:297-76-7|DrugBank:DB00823|Drug_Central:1095|KEGG:C12724|KEGG:D01294|LIPID_MAPS_instance:LMST02030124|Wikipedia:Ethynodiol_Diacetate phenio.json (3beta,17beta)-17-ethynylestr-4-ene-3,17-diyl diacetate|17alpha-Ethynyl-19-norandrost-4-ene-3beta,17-beta-diol diacetate|17alpha-Ethynyl-3,17-dihydroxy-4-estrene diacetate|17alpha-Ethynyl-4-estrene-3beta,17beta-diol diacetate|17alpha-Ethynylestr-4-ene-3beta,17beta-diol acetate|17alpha-ethynylestr-4-ene-3beta,17beta-diyl diacetate|19-Nor-17alpha-pregn-4-en-20-yne-3beta,17-diol diacetate|3beta, 17beta-Diacetoxy-17alpha-ethynyl-4-oestrene|3beta,17beta-Diacetoxy-19-nor-17alpha-pregn-4-en-20-yne|Ethynodiol diacetate http://purl.obolibrary.org/obo/CHEBI_31580 3_STAR
CHEBI:31583 biolink:ChemicalSubstance Etizolam CAS:40054-69-1|Drug_Central:1102|HMDB:HMDB0041890|KEGG:D01514 phenio.json AHR-3219|Etizolam|Y-7131|depas http://purl.obolibrary.org/obo/CHEBI_31583 2_STAR
CHEBI:31590 biolink:ChemicalSubstance Falecalcitriol CAS:83805-11-2|Drug_Central:1127|KEGG:D01662 phenio.json (+)-(5Z,7E)-26,26,26,27,27,27-Hexafluoro-9,10-secocholesta-5,7,10(19)-triene-1alpha,3beta,25-triol|Falecalcitoriol|Falecalcitriol|Hornel (TN)|flocacitriol|flocalcitriol|flocalcitrol http://purl.obolibrary.org/obo/CHEBI_31590 2_STAR
CHEBI:31596 biolink:ChemicalSubstance febuxostat A 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout. CAS:144060-53-7|DrugBank:DB04854|Drug_Central:1137|KEGG:D01206|LINCS:LSM-3064|PDBeChem:TEI|PMID:25724536|PMID:30844048|PMID:30919894|PMID:31267805|PMID:31332638|PMID:31335677|PMID:31378626|PMID:31447893|PMID:31449565|PMID:31499267|PMID:31531831|PMID:31560952|Wikipedia:Febuxostat phenio.json 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid|2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid|Adenuric|Donifoxate|Febuday|Feburic|Goturic|Goutex|TEI 6720|TEI-6720|TMX 67|TMX-67|Uloric|Zurig|febuxostat|febuxostatum http://purl.obolibrary.org/obo/CHEBI_31596 3_STAR
CHEBI:3160 biolink:ChemicalSubstance Botulinum toxin type A CAS:93384-43-1|KEGG:C07946|KEGG:D00783 phenio.json Botulin A|Botulinum toxin type A http://purl.obolibrary.org/obo/CHEBI_3160 2_STAR
CHEBI:31607 biolink:ChemicalSubstance Ferrous fumarate CAS:141-01-5|KEGG:D01194 phenio.json Ferrous fumarate http://purl.obolibrary.org/obo/CHEBI_31607 2_STAR
CHEBI:31611 biolink:ChemicalSubstance Fidarestat CAS:136087-85-9|KEGG:D01842 phenio.json Aldos (TN)|Fidarestat|SNK 860 http://purl.obolibrary.org/obo/CHEBI_31611 2_STAR
CHEBI:31612 biolink:ChemicalSubstance Floctafenine CAS:23779-99-9|Drug_Central:1178|KEGG:D01267 phenio.json Floctafenine|diralgan|floctafenin|idarac|novodolan http://purl.obolibrary.org/obo/CHEBI_31612 2_STAR
CHEBI:31622 biolink:ChemicalSubstance flunitrazepam A 1,4-benzodiazepinone that is nitrazepam substituted by a methyl group at position 1 and by a fluoro group at position 2'. It is a potent hypnotic, sedative, and amnestic drug used to treat chronic insomnia. CAS:1622-62-4|DrugBank:DB01544|Drug_Central:1202|HMDB:HMDB0015510|KEGG:D01230|PMID:11393809|PMID:17889|PMID:18070|PMID:19839|PMID:23506|PMID:23971077|PMID:25467462|PMID:25895512|PMID:26990972|PMID:27143233|PMID:27747877|PMID:27778423|PMID:28403803|PMID:29657737|PMID:29713800|PMID:30870640|PMID:31233253|PMID:31512527|PMID:31679602|PMID:862358|Reaxys:0702691|Wikipedia:Flunitrazepam phenio.json 1,3-dihydro-5-(o-fluorophenyl)-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one|1-methyl-7-nitro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2(1H)-one|5-(2-fluorophenyl)-1-methyl-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one|5-(o-fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one|Fluninoc|Flunipam|Flunita|Fluscand|Hipnosedon|Hypnodorm|Hypnor|Narcozep|Primum|RO 5-4200|RO-5-4200|RO-54200|RO54200|Rohypnol|Roipnol|Silece|Valsera|flunidazepam|flunitrazepam|flunitrazepamum|fluridrazepam http://purl.obolibrary.org/obo/CHEBI_31622 3_STAR
CHEBI:31623 biolink:ChemicalSubstance fluocinolone acetonide A fluorinated steroid that is flunisolide in which the hydrogen at position 9 is replaced by fluorine. A corticosteroid with glucocorticoid activity, it is used (both as the anhydrous form and as the dihydrate) in creams, gels and ointments for the treatment of various skin disorders. CAS:67-73-2|DrugBank:DB00591|Drug_Central:1204|HMDB:HMDB0014729|KEGG:D01825|PMID:21238799|PMID:21277557|PMID:21459216|PMID:23321234|PMID:23323586|Patent:US3014938|Patent:US3126375|Reaxys:1358396|Wikipedia:Fluocinolone_acetonide phenio.json (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS,12S)-4b,12-difluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one|6alpha,9alpha-difluoro-16alpha-hydroxyprednisolone 16,17-acetonide|6alpha-fluorotriamcinolone acetonide|Coriphate|Cortiplastol|Derma-Smoothe/FS|Dermalar|Flucinar|Flucort|Fluocet|Fluonid|Fluotrex|Fluovitif|Flupollon|Fluzon|Iluvien|Jellin|Localyn|Omniderm|Percutina|Prodermin|Radiocin|Retisert|Sinalar|Synalar|Synamol|Synandone|Synandrone|Synemol|Synotic|Synsac|Tefunote|acetonide de fluocinolone|acetonido de fluocinolona|fluocinolone 16,17-acetonide|fluocinolone acetonide|fluocinoloni acetonidum http://purl.obolibrary.org/obo/CHEBI_31623 3_STAR
CHEBI:31633 biolink:ChemicalSubstance formoterol fumarate A racemate consisting of equal amounts of arformoterol fumarate (the active enantiomer) and (S,S)-formoterol fumarate (the inactive enantiomer). It is used (particularly in its dihydrate form) as a direct-acting sympathomimetic and bronchodilator for the treatment of chronic obstructive pulmonary disease (any progressive respiratory disease that makes it harder to breathe over time, such as chronic bronchitis and emphysema). CAS:43229-80-7|DrugBank:DB00983|KEGG:D01373|PMID:18655841|PMID:20477569|Reaxys:8463050 phenio.json formoterol hemifumarate|rac-N-{2-hydroxy-5-[(1R)-1-hydroxy-2-{[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]phenyl}formamide (2E)-but-2-enedioate|rac-bis[(2R)-N-{(2R)-2-[3-(formylamino)-4-hydroxyphenyl]-2-hydroxyethyl}-1-(4-methoxyphenyl)propan-2-aminium] (2E)-but-2-enedioate http://purl.obolibrary.org/obo/CHEBI_31633 3_STAR
CHEBI:31638 biolink:ChemicalSubstance fulvestrant A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer. CAS:129453-61-8|DrugBank:DB00947|Drug_Central:1255|KEGG:D01161|LINCS:LSM-6504|PMID:18683044|PMID:19369092|PMID:21319872|PMID:21699443|PMID:25720568|Wikipedia:Fulvestrant phenio.json (7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol|7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol|Faslodex|ICI 182780|ICI-182780|fulvestrant|fulvestrantum http://purl.obolibrary.org/obo/CHEBI_31638 3_STAR
CHEBI:31649 biolink:ChemicalSubstance teprenone A terpene ketone in which a (9E,13E)-geranylgernayl group is bonded to one of the alpha-methyls of acetone (it is a mixture of 5E- and 5Z-geoisomers in a 3:2 ratio). CAS:6809-52-5|Drug_Central:2596|KEGG:C13297|KEGG:D01827|PMID:21645219|PMID:22004457|PMID:22548767|PMID:23229517|PMID:23289389|PMID:23684147|PMID:23792203|PMID:23942364|PMID:24008351|PMID:24098472|PMID:24531083|PMID:24573719|PMID:24582814|PMID:24631258|PMID:24633659|PMID:24695789|PMID:24737026|Reaxys:8717724 phenio.json (9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraen-2-one|Geranylgeranylacetone|Selbex|teprenona|teprenone|teprenonum http://purl.obolibrary.org/obo/CHEBI_31649 3_STAR
CHEBI:3165 biolink:ChemicalSubstance bradykinin A linear nonapeptide messenger belonging to the kinin group of proteins, with amino acid sequence RPPGFSPFR. Enzymatically produced from kallidin in the blood, it is a powerful vasodilator that causes smooth muscle contraction, and may mediate inflammation. CAS:58-82-2|PMID:11799074|PMID:11975815|PMID:13446366|PMID:13811230|PMID:14597148|PMID:15105283|PMID:16680069|PMID:18127230|PMID:27318425|PMID:27328010|PMID:27432758|PMID:27445816|PMID:7859389|PMID:8723398|PMID:9403361|Reaxys:24162492|Reaxys:2801232|Wikipedia:Bradykinin phenio.json Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg|BK|L-Arg-L-Pro-L-Pro-Gly-L-Phe-L-Ser-L-Pro-L-Phe-L-Arg|L-arginyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-seryl-L-prolyl-L-phenylalanyl-L-arginine|L-bradykinin|RPPGFSPFR http://purl.obolibrary.org/obo/CHEBI_3165 3_STAR
CHEBI:31652 biolink:ChemicalSubstance Gimeracil CAS:103766-25-2|Drug_Central:1293|KEGG:D01846 phenio.json 5-Chloro-2,4-dihydroxypyridine|5-Chloro-4-hydroxy-2-pyridone|Gimeracil|Ts-1 (TN)|gimestat http://purl.obolibrary.org/obo/CHEBI_31652 2_STAR
CHEBI:31653 biolink:ChemicalSubstance glafenine A carboxylic ester that is 2,3-dihydroxypropyl anthranilate in which the amino group is substituted by a 7-chloroquinolin-4-yl group. A non-steroidal anti-inflammatory drug, glafenine and its hydrochloride salt were used for the relief of all types of pain, but high incidence of anaphylactic reactions resulted in their withdrawal from the market. CAS:3820-67-5|Drug_Central:1297|KEGG:D01351|LINCS:LSM-4419|PMID:19567678|PMID:2210868|Patent:US3232944|Reaxys:497124|Wikipedia:Glafenine phenio.json 2,3-Dihydroxypropyl N-(7-chloro-4-quinolyl) anthranilate|2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate|4-((2-Carboxyphenyl)amino)-7-chloroquinoline alpha-monoglyceride|4-(2'-beta,gamma-Dihydroxypropoxycarbonylphenylamino)-7-chloroquinoline|Glafenin|Glaphenin|Glaphenine|Glicafan|Glifan|Glifanan|Glycerylaminophenaquine|glafenina|glafenine|glafeninum http://purl.obolibrary.org/obo/CHEBI_31653 3_STAR
CHEBI:31654 biolink:ChemicalSubstance gliclazide CAS:21187-98-4|DrugBank:DB01120|Drug_Central:1299|HMDB:HMDB0015252|KEGG:D01599|LINCS:LSM-5096|PMID:10048179|PMID:14871415|PMID:16631804|PMID:22118706|PMID:22183301|PMID:22411174|PMID:22732450|PMID:9226746|Reaxys:1657836|Wikipedia:Gliclazide phenio.json 1-(3-azabicyclo(3.3.0)oct-3-yl)-3-(p-tolylsulfonyl)urea|1-(hexahydrocyclopenta(c)pyrrol-2(1H)-yl)-3-(p-tolylsulfonyl)urea|Gliclazide|Glimicron|N-(hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl)-4-methylbenzenesulfonamide http://purl.obolibrary.org/obo/CHEBI_31654 3_STAR
CHEBI:31663 biolink:ChemicalSubstance Halcinonide CAS:3093-35-4|Drug_Central:4507|KEGG:D01308|PMID:26658258 phenio.json Halcinonide|alcinonide|halciderm|halcimat|halog http://purl.obolibrary.org/obo/CHEBI_31663 2_STAR
CHEBI:31664 biolink:ChemicalSubstance Haloperidol decanoate CAS:74050-97-8|Drug_Central:4496|KEGG:D01898 phenio.json Haloperidol decanoate|haldol decanoate http://purl.obolibrary.org/obo/CHEBI_31664 2_STAR
CHEBI:31669 biolink:ChemicalSubstance hexestrol CAS:5635-50-7|Drug_Central:1368|KEGG:C13101|KEGG:D01641|LINCS:LSM-4300 phenio.json Exestrol|Hexestrol|cycloestrol|dihydrodiethylstilbestrol|erythrohexestrol|hexanoestrol|hexestrofen|hexoestrol|hormoestrol|mesohexestrol http://purl.obolibrary.org/obo/CHEBI_31669 2_STAR
CHEBI:31674 biolink:ChemicalSubstance cortisol 17-butyrate Cortisol esterified with butyric acid at the 17-hydroxy group. CAS:13609-67-1|DrugBank:DB00741|Drug_Central:3959|KEGG:D01619|PMID:16566122|PMID:2265088|PMID:24504495|PMID:26085051|Reaxys:3634702|Wikipedia:Hydrocortisone-17-Butyrate phenio.json 11beta,21-dihydroxy-17alpha-butyryloxy-4-pregnene-3,20-dione|11beta,21-dihydroxy-3,20-dioxopregn-4-en-17-yl butanoate|17-O-butyrylcortisol|H-17-B|Hydrocortisone 17-butyrate|Hydrocortisone butyrate|Hydrocortisone-17alpha-butyrate http://purl.obolibrary.org/obo/CHEBI_31674 3_STAR
CHEBI:31684 biolink:ChemicalSubstance Ibudilast CAS:50847-11-5|Drug_Central:1406|HMDB:HMDB0015614|KEGG:D01385|LINCS:LSM-2357 phenio.json Ibudilast|KP-305|ketas http://purl.obolibrary.org/obo/CHEBI_31684 2_STAR
CHEBI:31687 biolink:ChemicalSubstance idebenone A member of the class of 1,4-benzoquinones which is substituted by methoxy groups at positions 2 and 3, by a methyl group at positions 5, and by a 10-hydroxydecyl group at positions 6. Initially developed for the treatment of Alzheimer's disease, benefits were modest; it was subsequently found to be of benefit for the symptomatic treatment of Friedreich's ataxia. CAS:58186-27-9|Chemspider:3558|DrugBank:DB09081|Drug_Central:1416|KEGG:D01750|LINCS:LSM-5505|PMID:11207459|PMID:15374364|PMID:18045357|PMID:18710357|PMID:19283347|PMID:19283350|PMID:20955109|PMID:22269948|PMID:23859348|PMID:2669658|PMID:30726629|PMID:32111141|PMID:33247801|PMID:33254077|PMID:33628024|PMID:7981485|PMID:7988944|Patent:DE2519730|Patent:US4271083|Reaxys:2001459|Wikipedia:Idebenone phenio.json 2,3-dimethoxy-5-methyl-6-(10'-hydroxydecyl)-1,4-benzoquinone|2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone|2-(10-hydroxydecyl)-5,6-dimethoxy-3-methyl-p-benzoquinone|2-(10-hydroxydecyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione|6-(10-hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone|6-(10-hydroxydecyl)-2,3-dimethoxy-5-methyl-p-benzoquinone|CV 2619|CV-2619|Raxone|idebenona|idebenone|idebenonum http://purl.obolibrary.org/obo/CHEBI_31687 3_STAR
CHEBI:31690 biolink:ChemicalSubstance imatinib methanesulfonate A methanesulfonate (mesylate) salt that is the monomesylate salt of imatinib. Used for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours. CAS:220127-57-1|DrugBank:DB00619|HMDB:HMDB0014757|KEGG:D01441|PMID:12047970|PMID:12616857|PMID:12669406|PMID:12975485|PMID:14760091|PMID:15059881|PMID:15161340|PMID:15206509|PMID:15250677|PMID:15601563|PMID:15727903|PMID:16570351|PMID:16805961|PMID:16835496|PMID:17212133|PMID:18422477|PMID:19073506|PMID:19258052|PMID:19508953|PMID:19542718|PMID:19568828|PMID:21084823|PMID:21333826|PMID:23462796|Patent:RU2365587|Patent:WO2004106326|Patent:WO2011161689|Patent:WO9903854|Reaxys:10229624 phenio.json 4-[(4-methylpiperazin-1-yl)methyl]-N-{4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl}benzamide methanesulfonate|Gleevec|Glivec|imatinib mesilate|imatinib mesylate|imatinib methansulfonate|imatinib monomesylate http://purl.obolibrary.org/obo/CHEBI_31690 3_STAR
CHEBI:31695 biolink:ChemicalSubstance indigo carmine An organic sodium salt resulting from the formal condensation of indigo carmine (acid form) with two equivalents of sodium hydroxide. It is an indicator at pH 11.5-14, changing from blue to yellow. CAS:860-22-0|HMDB:HMDB0059912|KEGG:D01563|PMID:24865501|PMID:24922336|PMID:25305623|PMID:25361489|PMID:25650249|PMID:25849647|PMID:25887729|PMID:26058926|PMID:26076807|PMID:26216072|PMID:26404013|Reaxys:905434|Wikipedia:Indigo_carmine phenio.json Acid blue 74|C.I. 73015|C.I. 75781|C.I. Acid Blue 74|C.I. Food Blue 1|C.I. Food Blue 1, disodium salt|C.I. Natural Blue 2|Disodium 3,3'-dioxo-(delta2,2'-biindoline)-5,5'-disulfonate|Disodium 5,5'-disulfoindigo|Disodium 5,5'-indigotin disulfonate|Disodium indigo-5,5-disulfonate|E 132|FD and C Blue No. 2|FD&C Blue No. 2|Indigo carmine|Indigocarmine|Indigotin-5,5'-disulfonic acid disodium salt|Indigotindisulfonate sodium|Natural blue 2|Sodium 5,5'-indigotindisulfonate|Sodium indigo-5,5'-bisulfonate|Sodium indigotindisulfonate|disodium (2E)-3-oxo-2-(3-oxo-5-sulfonato-1,3-dihydro-2H-indol-2-ylidene)-2,3-dihydro-1H-indole-5-sulfonate http://purl.obolibrary.org/obo/CHEBI_31695 3_STAR
CHEBI:31697 biolink:ChemicalSubstance indolin-2-one An indolinone carrying an oxo group at position 2. CAS:59-48-3|Gmelin:637057|KEGG:C12312|PMID:24433962|PMID:24500796|Reaxys:114692 phenio.json 1,3-dihydro-2H-indol-2-one|1,3-dihydroindol-2-one|2-indolinone|2-oxindole|Indolin-2-one|indolin-2-one|oxindole http://purl.obolibrary.org/obo/CHEBI_31697 3_STAR
CHEBI:3171 biolink:ChemicalSubstance bremazocine CAS:75684-07-0|KEGG:C11791 phenio.json Bremazocine http://purl.obolibrary.org/obo/CHEBI_3171 2_STAR
CHEBI:31719 biolink:ChemicalSubstance ipriflavone A member of the class of isoflavones that is isoflavone in which the hydrogen at position 7 is replaced by an isopropoxy group. A synthetic isoflavone, it was formerly used for the treatment of osteoporosis, although a randomised controlled study failed to show any benefit. It is still used to prevent osteoporosis in post-menopausal women. CAS:35212-22-7|Drug_Central:1477|HMDB:HMDB0032987|KEGG:D01338|LINCS:LSM-5981|PMID:11255425|PMID:17297162|PMID:21594876|PMID:23265084|PMID:24084576|PMID:24389340|PMID:24404906|PMID:7196240|PMID:8148667|PMID:8461568|PMID:9263607|PMID:9263610|PMID:9263615|PMID:9517377|PMID:9988779|Patent:DE2125245|Patent:US3833730|Patent:US3949085|Reaxys:4754346|Wikipedia:Ipriflavone phenio.json 7-(1-methylethoxy)-3-phenyl-4H-1-benzopyran-4-one|7-isopropoxy-3-phenyl-4H-chromen-4-one|7-isopropoxyisoflavone|FL-113|Iprosten|Osten|Yambolap|ipriflavona|ipriflavone|ipriflavonum http://purl.obolibrary.org/obo/CHEBI_31719 3_STAR
CHEBI:3172 biolink:ChemicalSubstance bretylium A quaternary ammonium cation having 2-bromobenzyl, ethyl and two methyl groups attached to the nitrogen. It blocks noradrenaline release from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation. Beilstein:4135284|CAS:59-41-6|DrugBank:DB01158|Drug_Central:394|KEGG:C06855|LINCS:LSM-5607|Wikipedia:Bretylium phenio.json (2-bromobenzyl)ethyldimethylaminium|2-bromo-N-ethyl-N,N-dimethylbenzenemethanaminium|N-(2-bromobenzyl)-N,N-dimethylethanaminium|N-ethyl-N,N-dimethyl-2-bromobenzenemethanaminium http://purl.obolibrary.org/obo/CHEBI_3172 3_STAR
CHEBI:3173 biolink:ChemicalSubstance bretylium tosylate The tosylate salt of bretylium. It blocks noradrenaline release from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation. Beilstein:5702258|CAS:61-75-6|DrugBank:DB01158|KEGG:D00645|Patent:US3038004 phenio.json (2-bromobenzyl)ethyldimethylammonium toluene-4-sulfonate|(2-bromobenzyl)ethyldimethylammonium tosylate|(o-bromobenzyl)ethyldimethylammonium p-toluenesulfonate|2-bromo-N-ethyl-N,N-dimethylbenzenemethanaminium 4-methylbenzenesulfonate|N-(2-bromobenzyl)-N,N-dimethylethanaminium 4-methylbenzenesulfonate|N-ethyl-N-o-bromobenzyl-N,N-dimethylammonium tosylate|bretylii tosilas|dimethylethyl-o-bromobenzylammonium-p-toluenesulphonate|tosilate de bretylium|tosilato de bretilio http://purl.obolibrary.org/obo/CHEBI_3173 3_STAR
CHEBI:31742 biolink:ChemicalSubstance kaempferol 3-O-beta-D-galactoside A beta-D-galactoside compound with a 4',5,7-trihydroxychromen-3-yl group at the anomeric position. CAS:23627-87-4|HMDB:HMDB0030864|KEGG:C12626|KNApSAcK:C00005137|LIPID_MAPS_instance:LMPK12111663|MetaCyc:CPD-7260|PMID:13534567|PMID:15631505|PMID:21923561|PMID:22117193|PMID:630002|Reaxys:1359975|Wikipedia:Trifolin phenio.json 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl beta-D-galactopyranoside|Kaempferol 3-O-beta-D-galactoside|Trifolin|Trifolioside http://purl.obolibrary.org/obo/CHEBI_31742 3_STAR
CHEBI:31743 biolink:ChemicalSubstance kaempferol 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside A sophoroside that is kaempferol attached to a beta-D-sophorosyl residue at position 3 via a glycosidic linkage. CAS:19895-95-5|KEGG:C12634|KNApSAcK:C00005165|MetaCyc:CPD-8067|PMID:14577635|PMID:17566335|PMID:895396|Reaxys:75115 phenio.json 3-((2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one|5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|Kaempferol 3-O-beta-D-sophoroside|Kaempferol-3-O-beta-D-sophoroside|Sophoraflavonoloside|kaempferol 3-O-sophoroside http://purl.obolibrary.org/obo/CHEBI_31743 3_STAR
CHEBI:31746 biolink:ChemicalSubstance kainic acid Beilstein:86660|CAS:487-79-6|Drug_Central:3201|KEGG:C12819|PDBeChem:KAI|Patent:GB795750|Patent:US2902492|Patent:US2954384 phenio.json (2S-(2alpha,3beta,4beta))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid|(3S,4R)-3-(carboxymethyl)-4-(prop-1-en-2-yl)-L-proline|Digenin|Digensaeure|Helminal|Kainic acid|Kainsaeure|L-alpha-kainic acid|acide kainique|acido kainico|acidum kainicum|alpha- Kainic acid|alpha-Kainic acid|digenic acid|kainic acid http://purl.obolibrary.org/obo/CHEBI_31746 3_STAR
CHEBI:3175 biolink:ChemicalSubstance brimonidine Beilstein:751629|CAS:59803-98-4|DrugBank:DB00484|Drug_Central:395|KEGG:C07886|KEGG:D07540|LINCS:LSM-3526|Patent:DE2309160|Patent:US3890319|Wikipedia:Brimonidine phenio.json 5-Bromo-6-(2-imidazolin-2-ylamino)quinoxaline|5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine|Brimonidine|Bromoxidine|brimonidina|brimonidine|brimonidinum http://purl.obolibrary.org/obo/CHEBI_3175 3_STAR
CHEBI:31755 biolink:ChemicalSubstance L-4-hydroxyphenylglycine The L-enantiomer of 4-hydroxyphenylglycine. CAS:32462-30-9|KEGG:C12323|KEGG:D05292|PDBeChem:D4P|PMID:11932455|Patent:EP0450684|Reaxys:3589845 phenio.json (2S)-amino(4-hydroxyphenyl)acetic acid|(2S)-amino(4-hydroxyphenyl)ethanoic acid http://purl.obolibrary.org/obo/CHEBI_31755 3_STAR
CHEBI:31759 biolink:ChemicalSubstance Lafutidine CAS:118288-08-7|CAS:206449-93-6|Drug_Central:1537|HMDB:HMDB0240216|KEGG:D01131 phenio.json FRG 8813|FRG-8813|Lafutidine|laflutidine|protecadin http://purl.obolibrary.org/obo/CHEBI_31759 2_STAR
CHEBI:3176 biolink:ChemicalSubstance brinzolamide Beilstein:9651552|CAS:138890-62-7|DrugBank:DB01194|KEGG:C07760|KEGG:D00652|LINCS:LSM-3677|PDBeChem:BZ1|Wikipedia:Brinzolamide phenio.json (4R)-4-(ethylamino)-2-(3-methoxypropyl)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide|Azopt|Brinzolamide http://purl.obolibrary.org/obo/CHEBI_3176 3_STAR
CHEBI:31763 biolink:ChemicalSubstance laricitrin A monomethoxyflavone that is the 3'-O-methyl derivative of myricetin. KEGG:C12633|KNApSAcK:C00004763|LIPID_MAPS_instance:LMPK12112482|MetaCyc:CPD-8605|PMID:17348681|PMID:20000402|PMID:22980782|Reaxys:1403010|Wikipedia:Laricitrin phenio.json 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one|3'-O-Methylmyricetin|3,4',5,5',7-Pentahydroxy-3'-methoxyflavone|Laricitrin http://purl.obolibrary.org/obo/CHEBI_31763 3_STAR
CHEBI:31767 biolink:ChemicalSubstance lead diacetate A lead coordination entity in which a central lead(2+) atom is coordinated to two acetate ions. Beilstein:1099661|Beilstein:6919265|CAS:301-04-2|Chemspider:8956|Gmelin:1042008|Gmelin:21797|Gmelin:327405|KEGG:D01945|PMID:1894216|PMID:19133285|PMID:21582050|PMID:21582051|PMID:21588188|PMID:25042713|PMID:25052592|PMID:25303036|PMID:27411820|PMID:27548299|PMID:32218311|PMID:32407153|PMID:33088349|PMID:33140846|PMID:33280449|PMID:33498064|PMID:33642811|PMID:33713589|PMID:33754266|PMID:33844168|PMID:4470991|Wikipedia:Lead(II)_acetate phenio.json Blei(II)-azetat|Bleidiacetat|Bleidiazetat|Bleizucker|Goulard powder|acetate de plomb|acetic acid lead salt|acetic acid lead(2+) salt|acetic acid, lead salt|acetic acid, lead(2+) salt|bis(acetato-kappa(2)O,O')lead|dibasic lead acetate|lead acetate|lead acetate (anhydrous)|lead di(acetate)|lead diacetate|lead dibasic acetate|lead(2+) acetate|lead(2+) diacetate|lead(II) acetate|plumbous acetate|salt of Saturn|sugar of Saturn|sugar of lead http://purl.obolibrary.org/obo/CHEBI_31767 3_STAR
CHEBI:31781 biolink:ChemicalSubstance lopinavir A dicarboxylic acid diamide that is amphetamine is substituted on nitrogen by a (2,6-dimethylphenoxy)acetyl group and on the carbon alpha- to nitrogen by a (1S,3S)-1-hydroxy-3-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1-yl)butanoyl]amino}-4-phenylbutyl group. An antiretroviral of the protease inhibitor class, it is used against HIV infections as a fixed-dose combination with another protease inhibitor, ritonavir. CAS:192725-17-0|DrugBank:DB01601|Drug_Central:1601|HMDB:HMDB0015539|KEGG:C12871|KEGG:D01425|LINCS:LSM-6027|PDBeChem:AB1|PMID:24014186|PMID:24518130|PMID:24566184|PMID:24805184|PMID:24906762|PMID:24958908|PMID:25120613|Reaxys:9309881 phenio.json (2S)-N-[(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxotetrahydropyrimidin-1(2H)-yl)butanamide|Lopinavir http://purl.obolibrary.org/obo/CHEBI_31781 3_STAR
CHEBI:31783 biolink:ChemicalSubstance lornoxicam A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 6-chloro-4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain, primarily resulting from inflammatory diseases of the joints, osteoarthritis, surgery, sciatica and other inflammations. CAS:70374-39-9|DrugBank:DB06725|Drug_Central:1609|KEGG:D01866|PMID:21789617|PMID:21968509|PMID:22306394|PMID:22459464|PMID:22502750|PMID:22545424|PMID:22584689|PMID:23215687|PMID:23273940|PMID:23385560|PMID:23411533|PMID:23428763|PMID:23556534|PMID:23567043|PMID:23656309|PMID:23657985|PMID:23713572|PMID:23781487|PMID:23818079|PMID:23827761|PMID:23829186|PMID:23884669|PMID:23931243|PMID:24029201|Patent:US2008014272|Reaxys:1039965|Wikipedia:Lornoxicam phenio.json 6-chloro-4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide|CCRIS 8589|Chlortenoxicam|Ro 13-9297|lornoxicam|lornoxicamum http://purl.obolibrary.org/obo/CHEBI_31783 3_STAR
CHEBI:31784 biolink:ChemicalSubstance loteprednol etabonate Beilstein:5461012|CAS:82034-46-6|DrugBank:DB00873|Drug_Central:1611|KEGG:D01689 phenio.json chloromethyl 17alpha-[(ethoxycarbonyl)oxy]-11beta-hydroxy-3-oxoandrosta-1,4-diene-17beta-carboxylate http://purl.obolibrary.org/obo/CHEBI_31784 3_STAR
CHEBI:3179 biolink:ChemicalSubstance bromobenzene The simplest member of the class of bromobenzenes, that is benzene in which a single hydrogen has been substituted by a bromine. A liquid at room temperature (m.p. -30degreeC; b.p.760 156degreeC), it is used as a solvent, particularly for large-scale crystallisations, and for the introduction of phenyl groups in organic synthesis. CAS:108-86-1|KEGG:C11036|MetaCyc:BROMOBENZENE|PMID:10996478|PMID:24318069|Reaxys:1236661|Wikipedia:Bromobenzene phenio.json Bromobenzene|C6H5Br|Monobromobenzene|PhBr|Phenyl bromide|bromobenzene http://purl.obolibrary.org/obo/CHEBI_3179 3_STAR
CHEBI:31790 biolink:ChemicalSubstance Lynestrenol CAS:52-76-6|Drug_Central:1620|KEGG:C13037|KEGG:D01580 phenio.json Lynestrenol|ethynylestrenol|linestrenol|orgametril|orgametrol http://purl.obolibrary.org/obo/CHEBI_31790 2_STAR
CHEBI:31794 biolink:ChemicalSubstance magnesium oxide CAS:1309-48-4|DrugBank:DB01377|KEGG:C12567|KEGG:D01167 phenio.json Magnesium oxide|MgO|magnesia|magnesia usta|magnesium monoxide http://purl.obolibrary.org/obo/CHEBI_31794 3_STAR
CHEBI:31798 biolink:ChemicalSubstance Malotilate CAS:59937-28-9|Drug_Central:1627|KEGG:D01770 phenio.json Malotilate|kantec http://purl.obolibrary.org/obo/CHEBI_31798 2_STAR
CHEBI:31801 biolink:ChemicalSubstance Maxacalcitol CAS:103909-75-7|Drug_Central:1638|KEGG:D01098 phenio.json 22-oxacalcitriol|Maxacalcitol|oxarol http://purl.obolibrary.org/obo/CHEBI_31801 2_STAR
CHEBI:31807 biolink:ChemicalSubstance Medazepam CAS:2898-12-6|Drug_Central:1654|KEGG:D01292 phenio.json Medazepam|medazepam HCl|medazepam hydrochloride|mezapam http://purl.obolibrary.org/obo/CHEBI_31807 2_STAR
CHEBI:3181 biolink:ChemicalSubstance bromocriptine Beilstein:741357|CAS:25614-03-3|DrugBank:DB01200|Drug_Central:403|KEGG:C06856|KEGG:D03165|LINCS:LSM-6550|Patent:DE1926045|Patent:US3752814|Wikipedia:Bromocriptine phenio.json (5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-3',6',18-trioxoergotaman|(5'alpha)-2-bromo-12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione|(5'alpha)-2-bromo-12'-hydroxy-5'-(2-methylpropyl)-2'-(propan-2-yl)-3',6',18-trioxoergotaman|(5'alpha)-2-bromo-12'-hydroxy-5'-isobutyl-2'-isopropyl-3',6',18-trioxoergotaman|2-bromo-alpha-ergocryptine|2-bromo-alpha-ergokryptin|2-bromo-alpha-ergokryptine|Bromocriptine|bromocriptine|bromocriptinum|bromocryptine|bromoergocriptine http://purl.obolibrary.org/obo/CHEBI_3181 3_STAR
CHEBI:31810 biolink:ChemicalSubstance fleroxacin A fluoroquinolone antibiotic that is 4-oxo-1,4-dihydroquinoline which is substituted at positions 1, 3, 6, 7 and 8 by 2-fluoroethyl, carboxy, fluoro, 4-methylpiperazin-1-yl and fluoro groups, respectively. It is active against many Gram-positive and Gram-negative bacteria. CAS:79660-72-3|DrugBank:DB04576|Drug_Central:1177|KEGG:C13179|KEGG:D01716|LINCS:LSM-6633|PMID:25143490|PMID:26963935|PMID:27301999|PMID:3095363|Patent:US4398029|Reaxys:4300996|Wikipedia:Fleroxacin phenio.json 6,8-difluoro-1-(2-fluoroethyl)-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid-|6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid|fleroxacin|fleroxacine|fleroxacino|fleroxacinum http://purl.obolibrary.org/obo/CHEBI_31810 3_STAR
CHEBI:31818 biolink:ChemicalSubstance Mepitiostane CAS:21362-69-6|Drug_Central:1699|KEGG:D01602 phenio.json Mepitiostane|S-10364|thioderon http://purl.obolibrary.org/obo/CHEBI_31818 2_STAR
CHEBI:31821 biolink:ChemicalSubstance Mequitazine CAS:29216-28-2|Drug_Central:1707|HMDB:HMDB0015204|KEGG:C12755|KEGG:D01324 phenio.json Mequitazine|metaplexan|nipolazin http://purl.obolibrary.org/obo/CHEBI_31821 2_STAR
CHEBI:31823 biolink:ChemicalSubstance mercury dichloride A mercury coordination entity made up of linear triatomic molecules in which a mercury atom is bonded to two chlorines. Water-soluble, it is highly toxic. Once used in a wide variety of applications, including preserving wood and anatomical specimens, embalming and disinfecting, as an intensifier in photography, as a mordant for rabbit and beaver furs, and freeing gold from lead, its use has markedly declined as less toxic alternatives have been developed. CAS:7487-94-7|Drug_Central:4787|Gmelin:100830|KEGG:C13377|KEGG:D01905|PMID:25042713|PMID:29079364|PMID:7980848|PMID:8991630|Reaxys:4937255 phenio.json ClHgCl|HgCl2|Mercuric chloride|Mercury(II) chloride|Quecksilber(II)-chlorid|Sublimat|Sulema|bichlorure de mercure|chlorure mercurique|corrosive mercury chloride|corrosive sublimate|dichloromercury|dichlorure de mercure|hydrargyrum bichloratum|mercuric bichloride|mercuric chloride|mercury bichloride|mercury dichloride|mercury perchloride|mercury(2+) chloride|mercury(II) chloride|perchloride of mercury|sublimate http://purl.obolibrary.org/obo/CHEBI_31823 3_STAR
CHEBI:31832 biolink:ChemicalSubstance methyl salicylate A benzoate ester that is the methyl ester of salicylic acid. CAS:119-36-8|Drug_Central:4245|KEGG:C12305|KEGG:D01087|KNApSAcK:C00030767|PMID:21249432|PMID:21287406|PMID:21327960|PMID:21404848|PMID:21609308|PMID:21790190|PMID:21936953|Reaxys:971516|Wikipedia:Methyl_salicylate phenio.json 2-(Methoxycarbonyl)phenol|2-Carbomethoxyphenol|2-Hydroxybenzoic acid methyl ester|Betula oil|Gaultheria oil|Methyl 2-hydroxybenzoate|Methyl o-hydroxybenzoate|Natural wintergreen oil|Oil of wintergreen|Spicewood Oil|Sweet birch oil|Teaberry oil|methyl salicylate http://purl.obolibrary.org/obo/CHEBI_31832 3_STAR
CHEBI:31835 biolink:ChemicalSubstance methylparaben A 4-hydroxybenzoate ester resulting from the formal condensation of the carboxy group of 4-hydroxybenzoic acid with methanol. It is the most frequently used antimicrobial preservative in cosmetics. It occurs naturally in several fruits, particularly in blueberries. CAS:99-76-3|Drug_Central:1766|HMDB:HMDB0032572|KEGG:D01400|PDBeChem:MPB|PMID:12115834|PMID:12387298|PMID:16938376|PMID:17306434|PMID:17351650|PMID:22734461|PMID:23068419|PMID:23324734|PMID:24083322|PMID:6631690|PMID:7334386|Wikipedia:Methylparaben phenio.json 4-hydroxybenzoic acid methyl ester|E 218|E218|FEMA No. 2710|INS No. 218|INS number 218|Maseptol|Metaben|Methaben|Methyl butex|Methyl chemosept|Methyl parahydroxybenzoate|Metoxyde|Moldex|Nipagin|Paridol|Preserval|Septos|Solbrol|Tegosept M|methyl 4-hydroxybenzoate|methyl p-hydroxybenzoate|methyl paraben|p-Oxybenzoesauremethylester|p-carbomethoxyphenol|p-hydroxybenzoic acid methyl ester|p-methoxycarbonylphenol http://purl.obolibrary.org/obo/CHEBI_31835 3_STAR
CHEBI:31856 biolink:ChemicalSubstance mithramycin CAS:18378-89-7|DrugBank:DB06810|Drug_Central:2223|KEGG:C12389|KEGG:D00468 phenio.json (1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose|Mithracin|Mithramycine|Mithramycinum|Plicamycin|Plicamycine|Plicamycinum|aureolic acid http://purl.obolibrary.org/obo/CHEBI_31856 3_STAR
CHEBI:31857 biolink:ChemicalSubstance Mizolastine CAS:108612-45-9|Drug_Central:1824|HMDB:HMDB0240233|KEGG:D01117|LINCS:LSM-5377 phenio.json Mizolastine|SL 85.0324|SL-85.0324|mistamine|mizollen|zolistan http://purl.obolibrary.org/obo/CHEBI_31857 2_STAR
CHEBI:31858 biolink:ChemicalSubstance Mizoribine CAS:50924-49-7|Drug_Central:3363|HMDB:HMDB0041934|KEGG:D01392 phenio.json Mizoribine|beta-Bredinin|bredinin http://purl.obolibrary.org/obo/CHEBI_31858 2_STAR
CHEBI:31859 biolink:ChemicalSubstance modafinil A racemate comprising equimolar amounts of armodafinil and (S)-modafinil. A central nervous system stimulant, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The optical enantiomers of modafinil have similar pharmacological actions in animals. CAS:68693-11-8|DrugBank:DB00745|HMDB:HMDB0014883|KEGG:D01832|PMID:17712350|PMID:22537794|PMID:23017017|PMID:23261131|PMID:24109471|PMID:24120858|PMID:24287166|PMID:24530829|Patent:DE2809625|Patent:US4177290|Reaxys:1978970|Wikipedia:Modafinil phenio.json (+-)-modafinil|2-(benzhydrylsulfinyl)acetamide|CEP-1538|CRL 40476|CRL-40476|Provigil|modafinil|modafinilo|modafinilum|rac-2-[(diphenylmethyl)sulfinyl]acetamide http://purl.obolibrary.org/obo/CHEBI_31859 3_STAR
CHEBI:31861 biolink:ChemicalSubstance molsidomine A member of the class of oxadiazoles that is 1,2,3-oxadiazole substituted by morpholin-4-yl and (ethoxycarbonyl)azanidyl groups at positions 3 and 5, respectively. It is used as a vasodilator drug for the treatment of myocardial ischemic syndrome and congestive heart failure. CAS:25717-80-0|Chemspider:4090|DrugBank:DB09282|Drug_Central:1831|HMDB:HMDB0245703|KEGG:D01320|PMID:14718172|PMID:24120390|PMID:24157421|PMID:25032121|PMID:25269886|PMID:26469102|PMID:26833172|PMID:27238492|PMID:27482866|PMID:27721541|PMID:27760216|PMID:27816693|PMID:27897441|PMID:27918857|PMID:28166419|PMID:29323543|PMID:29477039|PMID:30587924|PMID:30898683|PMID:31085310|PMID:32706246|PMID:34330056|PMID:34557650|Reaxys:3999414|Wikipedia:Molsidomine phenio.json 5-[(ethoxycarbonyl)amino]-3-(4-morpholinyl)-1,2,3-oxadiazolium inner salt|CAS 276|CAS-276|Corraton|Coruno|Corvaton|Covarsal|MolsiCare|Molsicor|Molsidolat|Morial|Morsydomine|Motazomin|N-(ethoxycarbonyl)-3-(morpholin-4-yl)-1,2,3-oxadiazol-3-ium-5-aminide|N-(ethoxycarbonyl)-3-morpholinosydnone imine|N-carboxy-3-morpholinosydnone imine ethyl ester|N-ethoxycarbonyl-3-morpholinosydnonimine|SIN-10|Sydnopharm|molsidomin|molsidomina|molsidomine|molsidominum http://purl.obolibrary.org/obo/CHEBI_31861 3_STAR
CHEBI:31864 biolink:ChemicalSubstance Montirelin CAS:90243-66-6|KEGG:D02588 phenio.json Montirelin http://purl.obolibrary.org/obo/CHEBI_31864 2_STAR
CHEBI:3188 biolink:ChemicalSubstance Bruceantin CAS:41451-75-6|KEGG:C08749|KNApSAcK:C00003699 phenio.json Bruceantin http://purl.obolibrary.org/obo/CHEBI_3188 2_STAR
CHEBI:31882 biolink:ChemicalSubstance N-methyl-D-aspartic acid An aspartic acid derivative having an N-methyl substituent and D-configuration. CAS:6384-92-5|HMDB:HMDB0002393|KEGG:C12269|MetaCyc:CPD-10705|PDBeChem:OEM|PMID:10514280|PMID:10893301|PMID:1967316|PMID:2170646|PMID:3351864|PMID:8568805|PMID:9572889|Reaxys:1724431|Wikipedia:N-Methyl-D-aspartic_acid phenio.json (R)-2-Methylamino-succinic acid|2-Methylamino-succinic acid|Methyl aspartic acid|N-Methyl aspartic acid|N-Methyl-D-aspartate|N-Methyl-D-aspartic acid|N-Methylaspartate|N-methyl-D-aspartic acid|NMDA http://purl.obolibrary.org/obo/CHEBI_31882 3_STAR
CHEBI:31883 biolink:ChemicalSubstance N-oleoyldopamine A fatty amide resulting from the formal condensation of the carboxy group of oleic acid with the amino group of dopamine. Synthesised in catecholaminergic neurons, it crosses the blood-brain barrier and might be considered as a carrier of dopamine into the brain. It is a transient receptor potential vanilloid type 1 (TRPV1) receptor agonist. CAS:105955-11-1|KEGG:C12272|LIPID_MAPS_instance:LMFA08020140|PMID:17166411|PMID:19309549|PMID:19901198|PMID:24817351|PMID:28400256 phenio.json (9Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enamide|N-(9Z-octadecanoyl)-dopamine|N-[2-(3,4-dihydroxyphenyl)ethyl]-9Z-octadecenamide|N-oleoyl dopamine|OLDA http://purl.obolibrary.org/obo/CHEBI_31883 3_STAR
CHEBI:31885 biolink:ChemicalSubstance N-acetyl-L-2-aminoadipic acid An N-acetyl-L-amino acid consisting of L-2-aminoadipic acid carrying an N-acetyl substituent. KEGG:C12986|PMID:22770225|Reaxys:21132196 phenio.json (2S)-2-acetamidohexanedioic acid|N2-Acetyl-L-aminoadipate http://purl.obolibrary.org/obo/CHEBI_31885 3_STAR
CHEBI:31891 biolink:ChemicalSubstance Naftopidil CAS:57149-07-2|Drug_Central:1873|KEGG:D01674|LINCS:LSM-4302 phenio.json Naftopidil|avishot|flivas|naftopidil HCl|naftopidil dihydrochloride|naftopidil hydrochloride|naftopil http://purl.obolibrary.org/obo/CHEBI_31891 2_STAR
CHEBI:31897 biolink:ChemicalSubstance nateglinide An N-acyl-D-phenylalanine resulting from the formal condensation of the amino group of D-phenylalanine with the carboxy group of trans-4-isopropylcyclohexanecarboxylic acid. An orally-administered, rapidly-absorbed, short-acting insulinotropic agent, it is used for the treatment of type 2 diabetes mellitus. CAS:105816-04-4|DrugBank:DB00731|Drug_Central:1886|HMDB:HMDB0014869|KEGG:C12508|KEGG:D01111|PMID:10820657|PMID:11585005|PMID:11724096|PMID:12652357|PMID:12918894|PMID:14748619|PMID:16178991|PMID:17253883|PMID:17573070|PMID:18200800|PMID:19337530|PMID:21801074|PMID:23229379|PMID:23675267|PMID:23867985|PMID:23872227|PMID:23935065|PMID:24563597|Patent:EP196222|Patent:US4816484|Wikipedia:Nateglinide phenio.json (-)-N-(trans-4-isopropylcyclohexanecarbonyl)-D-phenylalanine|A 4166|A-4166|AY 4166|AY-4166|AY4166|Fastic|N-[(trans-4-isopropylcyclohexyl)carbonyl]-D-phenylalanine|Starlix|Starsis|nateglinida|nateglinide|nateglinidum|trans-N-{[4-(1-methylethyl)cyclohexyl]carbonyl}-D-phenylalanine http://purl.obolibrary.org/obo/CHEBI_31897 3_STAR
CHEBI:31898 biolink:ChemicalSubstance nedaplatin CAS:95734-82-0|KEGG:C12862|KEGG:D01416 phenio.json (SP-4-3)-diammine[(hydroxy-kappaO)acetato(2-)-kappaO]platinum|(glycolato-O,O')diammineplatinum(II)|Nedaplatin|cis-diammine(glycolato)platinum|cis-diammine(glycolato)platinum(II) http://purl.obolibrary.org/obo/CHEBI_31898 3_STAR
CHEBI:31899 biolink:ChemicalSubstance nemonapride A racemate composed of (2S,3S)- and (2R,3R)-enantiomers of nemonapride. Highly potent dopamine D2-like receptor antagonist; selective over D1-like receptors (Ki values are 0.1 and 740 nM for D2-like and D1-like receptors respectively). Also potent 5-HT1A receptor agonist (IC50 = 34 nM) and has affinity for sigma receptors. CAS:75272-39-8|Drug_Central:1895|KEGG:C12915|KEGG:D01468|PMID:10049714|PMID:10363800|PMID:10435376|PMID:10587100|PMID:10823405|PMID:10862524|PMID:10898926|PMID:10917400|PMID:11817505|PMID:11929700|PMID:16020947|PMID:8328325|PMID:9016292|PMID:9031995|PMID:9095318|PMID:9228185|PMID:9310388|PMID:9325557|PMID:9369342|PMID:9766869|PMID:9774248|PMID:9934942|Patent:EP1273301|Patent:US5811547|Reaxys:5766104|Wikipedia:Nemonapride phenio.json (+-)-cis-N-(1-benzyl-2-methyl-3-pyrrolidinyl)-5-chloro-4-(methylamino)-o-anisamide|(+-)-cis-N-(1-benzyl-2-methylpyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylaminobenzamide|(+-)-nemonapride|Emilace|YM 09151-2|YM-09151|emonapride|nemonaprida|nemonapride|nemonapridum|rac-N-[(2S,3S)-1-benzyl-2-methylpyrrolidin-3-yl]-5-chloro-2-methoxy-4-(methylamino)benzamide|rac-nemonapride|racemic nemonapride http://purl.obolibrary.org/obo/CHEBI_31899 3_STAR
CHEBI:31902 biolink:ChemicalSubstance Nicergoline Beilstein:903548|CAS:27848-84-6|Drug_Central:1910|HMDB:HMDB0014837|KEGG:D01290|LINCS:LSM-3720 phenio.json (8beta)-10-methoxy-1,6-dimethylergoline-8-methanol 5-bromo-3-pyridinecarboxylate (ester)|10-methoxy-1,6-dimethylergoline-8beta-methanol 5-bromonicotinate|cergodum|duracebrol|nicergolent|nicotergoline http://purl.obolibrary.org/obo/CHEBI_31902 2_STAR
CHEBI:31903 biolink:ChemicalSubstance Niceritrol CAS:5868-05-3|Drug_Central:1911|KEGG:D01754 phenio.json Niceritrol|niceritrol tetrahydrochloride|nicotinic acid neopentanetetrayl ester|pentaerythritol tetranicotinate|pentaerythritoltetranicotinate|perycit http://purl.obolibrary.org/obo/CHEBI_31903 2_STAR
CHEBI:31905 biolink:ChemicalSubstance nicorandil A pyrimidinecarboxamide that is nicotinamide in which one of the hydrogens attached to the carboxamide nitrogen is replaced by a 2-(nitrooxy)ethyl group. It has both nitrate-like and ATP-sensitive potassium channel activator properties, and is used for the prevention and treatment of angina pectoris. CAS:65141-46-0|Drug_Central:1919|KEGG:C13280|KEGG:D01810|LINCS:LSM-6009|PMID:23841868|PMID:23845070|PMID:24685703|PMID:24837014|PMID:24952900|PMID:25319832|Patent:DE2714713|Patent:US4200640|Wikipedia:Nicorandil phenio.json 2-[(pyridin-3-ylcarbonyl)amino]ethyl nitrate|2-nicotinamidoethyl nitrate|Adancor|Ikorel|N-(2-hydroxyethyl)nicotinamide nitrate|Perisalol|SG 75|SG-75|Sigmart|nicorandil|nicorandilum http://purl.obolibrary.org/obo/CHEBI_31905 3_STAR
CHEBI:31911 biolink:ChemicalSubstance Nilvadipine CAS:75530-68-6|Drug_Central:1934|HMDB:HMDB0015657|KEGG:D01908|LINCS:LSM-6501 phenio.json FR-34235|Nilvadipine|nivadil|nivaldipine http://purl.obolibrary.org/obo/CHEBI_31911 2_STAR
CHEBI:31923 biolink:ChemicalSubstance novobiocic acid A hydroxycoumarin that is the aglycone of novobiocin. CAS:485-23-4|KEGG:C12474|PMID:11216669|PMID:12680772|PMID:237214|Reaxys:360687 phenio.json N-(4,7-Dihydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)benzamide|N-(4,7-dihydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide|Novobiocic acid http://purl.obolibrary.org/obo/CHEBI_31923 3_STAR
CHEBI:31927 biolink:ChemicalSubstance nystatin A3 CAS:62997-67-5|HMDB:HMDB0242303|KEGG:C12156|LIPID_MAPS_instance:LMPK06000005|PMID:15504830|PMID:27803316|PMID:3182406|PMID:468732 phenio.json (1S,3R,4R,7R,9R,11R,15S,16S,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-17-[(2,6-dideoxy-L-ribo-hexopyranosyl)oxy]-1,3,4,7,9,11,37-heptahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid|nystatin A3 http://purl.obolibrary.org/obo/CHEBI_31927 3_STAR
CHEBI:3193 biolink:ChemicalSubstance brucine CAS:357-57-3|KEGG:C09084|KNApSAcK:C00001695|LINCS:LSM-5758|PPDB:3151 phenio.json Brucine http://purl.obolibrary.org/obo/CHEBI_3193 2_STAR
CHEBI:31932 biolink:ChemicalSubstance Olmesartan medoxomil CAS:144689-63-4|Drug_Central:1985|KEGG:D01204|LINCS:LSM-3767 phenio.json CS-866|CS866|Olmesartan medoxomil|olmetec http://purl.obolibrary.org/obo/CHEBI_31932 2_STAR
CHEBI:31933 biolink:ChemicalSubstance Olopatadine hydrochloride CAS:140462-76-6|KEGG:D01192 phenio.json Olopatadine hydrochloride http://purl.obolibrary.org/obo/CHEBI_31933 2_STAR
CHEBI:31941 biolink:ChemicalSubstance oxaliplatin A platinum coordination entity that is a commonly used chemothrepeutic drug for treatment of colorectal cancer. CAS:61825-94-3|CAS:63121-00-6|DrugBank:DB00526|Gmelin:1046012|Gmelin:28892|KEGG:D01790|LINCS:LSM-6352|PMID:11300320|PMID:14755010|PMID:15477639|PMID:17347561|PMID:18440088|PMID:19138416|PMID:19735649|PMID:27756654|PMID:28186109|PMID:28398406|PMID:28415810|PMID:28499428|PMID:28505615|PMID:28624791|PMID:28642473|PMID:28654098|PMID:28695397|PMID:28762171|PMID:28777427|PMID:28800641|PMID:28811232|PMID:28812173|PMID:28837658|PMID:28876454|PMID:28881354|PMID:28881481|PMID:28884286|PMID:28894576|PMID:28924870|PMID:28938919|Reaxys:15700099|Wikipedia:Oxaliplatin phenio.json (SP-4-2)[(1R,2R)-cyclohexane-1,2-diamine-kappa(2)N,N'][ethanedioato(2-)-kappa(2)O(1),O(2)]platinum|(SP-4-2-(1R-trans))-(1,2-cyclohexanediamine-N,N')(ethanedioato(2-)-O,O')platinum|Eloxatin|Oxaliplatin|oxalato(1,2-diaminocyclohexane)platinum(II)|oxaliplatin|oxaliplatine|oxaliplatino|oxaliplatinum http://purl.obolibrary.org/obo/CHEBI_31941 3_STAR
CHEBI:31952 biolink:ChemicalSubstance Oxypertine CAS:153-87-7|Drug_Central:2035|KEGG:D01219 phenio.json Oxypertine|equipertine|oxypertin http://purl.obolibrary.org/obo/CHEBI_31952 2_STAR
CHEBI:31966 biolink:ChemicalSubstance pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside Beilstein:3873730|CAS:168753-26-2|KEGG:C12640|KNApSAcK:C00006767 phenio.json 3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-yl beta-D-glucopyranoside|Bisdemalonylsalvianin|Pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside|pelargonidin 3-O-(6-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_31966 3_STAR
CHEBI:31967 biolink:ChemicalSubstance pelargonidin 3-O-beta-D-glucoside An anthocyanin cation consisting of pelargonidin having a beta-D-glucosyl residue attached at the 3-hydroxy position. Beilstein:1672351|Beilstein:3919123|CAS:18466-51-8|KEGG:C12137|KNApSAcK:C00006630|LIPID_MAPS_instance:LMPK12010016|MetaCyc:PELARGONIDIN-3-GLUCOSIDE-CMPD|PMID:15656691|Reaxys:3901091|Wikipedia:Callistephin phenio.json 3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride|3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium chloride|3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-4'-hydroxyflavylium|Pelargonidin 3-O-beta-D-glucoside|Pelargonidin 3-O-glucoside|Pelargonidin 3-glucoside|Pelargonidin-3-glucopyranoside|Pelargonidin-3-glucoside|callistephin http://purl.obolibrary.org/obo/CHEBI_31967 3_STAR
CHEBI:31974 biolink:ChemicalSubstance Pentagastrin CAS:5534-95-2|Drug_Central:2088|KEGG:D01631 phenio.json ICI 50123|Pentagastrin|pentavlon|peptavlon http://purl.obolibrary.org/obo/CHEBI_31974 2_STAR
CHEBI:31981 biolink:ChemicalSubstance periciazine A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-(4-hydroxypiperidin-1-yl)propyl group at the nitrogen atom and a carbonitrile group at position 2. Periciazine is a first generation antipsychotic. CAS:2622-26-6|DrugBank:DB01608|Drug_Central:2107|HMDB:HMDB0015546|KEGG:D01485|LINCS:LSM-24971|PMID:10441864|PMID:16454538|PMID:17606915|PMID:27062|PMID:5981335|PMID:8562516|PMID:9591093|Patent:FR1212031|Reaxys:576739|Wikipedia:Periciazine phenio.json 10-(3-(4-Hydroxypiperidino)propyl)phenothiazine-2-carbonitrile|10-[3-(4-hydroxypiperidin-1-yl)propyl]-10H-phenothiazine-2-carbonitrile|2-Cyano-10-(3-(4-hydroxy-1-piperidyl)propyl)phenothiazine|2-Cyano-10-(3-(4-hydroxypiperidino)propyl)phenothiazine|Cyano-3 ((hydroxy-4 piperidyl-1)-3 propyl)-10 phenothiazine|Piperocyanomazine|Propericiazine|periciazina|periciazine|periciazinum http://purl.obolibrary.org/obo/CHEBI_31981 3_STAR
CHEBI:3199 biolink:ChemicalSubstance Bryophyllin A CAS:105608-32-0|KEGG:C08852|KNApSAcK:C00003606 phenio.json Bryophyllin A http://purl.obolibrary.org/obo/CHEBI_3199 2_STAR
CHEBI:31997 biolink:ChemicalSubstance N,N-dimethylethanolamine phosphate The N,N-dimethyl derivative of ethanolamine phosphate. Beilstein:1766898|CAS:6909-62-2|KEGG:C13482 phenio.json 2-(dimethylamino)ethyl dihydrogen phosphate|2-dimethylaminoethyl phosphate|Phosphodimethylethanolamine|demanyl phosphate|phosphoric acid, mono(2-(dimethylamino)ethyl) ester http://purl.obolibrary.org/obo/CHEBI_31997 3_STAR
CHEBI:31998 biolink:ChemicalSubstance N-acylphytosphingosine A ceramide that is phytosphingosine having a fatty acyl group attached to the nitrogen. KEGG:C12145|LIPID_MAPS_instance:LMSP01030000 phenio.json Ceramide II|N-Acyl-4-hydroxysphinganine|N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]alkanamide|N-acylphytosphingosines|Phytoceramide|an N-acyl-(4R)-4-hydroxysphinganine|phytoceramide|phytoceramides http://purl.obolibrary.org/obo/CHEBI_31998 3_STAR
CHEBI:3200 biolink:ChemicalSubstance bryostatins Any of the structurally related macrolide compounds originally found in the bryozoan Bugula neritina and related organisms. Wikipedia:Bryostatin phenio.json http://purl.obolibrary.org/obo/CHEBI_3200 3_STAR
CHEBI:32003 biolink:ChemicalSubstance pimobendan Beilstein:4207330|CAS:74150-27-9|Drug_Central:2171|KEGG:D01133|Patent:DE2837161|Patent:US4361563|VSDB:1890 phenio.json 6-[2-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-5-methyl-4,5-dihydropyridazin-3(2H)-one|Acardi|dl-Pimobendan|pimobendan|pimobendane|pimobendanum http://purl.obolibrary.org/obo/CHEBI_32003 3_STAR
CHEBI:32010 biolink:ChemicalSubstance Piracetam CAS:7491-74-9|Drug_Central:2197|KEGG:D01914|LINCS:LSM-5364 phenio.json 2-Pyrrolidinoneacetamide|Piracetam|neuracetam|nootropil|pirazetam http://purl.obolibrary.org/obo/CHEBI_32010 2_STAR
CHEBI:32011 biolink:ChemicalSubstance Pirarubicin CAS:72496-41-4|KEGG:D01885 phenio.json Pirarubicin http://purl.obolibrary.org/obo/CHEBI_32011 2_STAR
CHEBI:32015 biolink:ChemicalSubstance Piretanide CAS:55837-27-9|Drug_Central:2201|KEGG:D01634|LINCS:LSM-3959 phenio.json Piretanide|arelix|diumax|eurelix http://purl.obolibrary.org/obo/CHEBI_32015 2_STAR
CHEBI:32016 biolink:ChemicalSubstance pirfenidone A pyridone that is 2-pyridone substituted at positions 1 and 5 by phenyl and methyl groups respectively. An anti-inflammatory drug used for the treatment of idiopathic pulmonary fibrosis. CAS:53179-13-8|Drug_Central:4224|KEGG:D01583|LINCS:LSM-4190|PMID:25432946|PMID:25459156|PMID:25542603|PMID:25593606|PMID:25596380|PMID:25604027|PMID:25624597|PMID:25639750|PMID:25678074|PMID:25691376|PMID:25726556|PMID:25727967|PMID:25738437|Reaxys:1526549|Wikipedia:Pirfenidone phenio.json 5-methyl-1-phenylpyridin-2(1H)-one|AMR 69|AMR-69|Esbriet|pirfenidona|pirfenidone|pirfenidonum http://purl.obolibrary.org/obo/CHEBI_32016 3_STAR
CHEBI:32020 biolink:ChemicalSubstance pitavastatin A dihydroxy monocarboxylic acid that is (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-6-enoic acid in which the two hydroxy groups are located at positions 3 and 5 (the 3R,5S-stereoisomer). Used as its calcium salt for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise. CAS:147511-69-1|Drug_Central:2214|HMDB:HMDB0041991|KEGG:C13334|PMID:21075465|PMID:21585411|PMID:21884024|PMID:22053916|PMID:22077103|PMID:22133277|PMID:22149769|PMID:22268518|PMID:22332608|PMID:22345687|PMID:22356292|PMID:22361916|PMID:22410289|PMID:22472908|PMID:22520230|PMID:22627182|PMID:22679249|PMID:22807641|PMID:22850760|PMID:22878405|PMID:22884685|PMID:22948417|PMID:23007012|PMID:23161429|Patent:EP2141155|Patent:US2011269962|Patent:US2012016129|Reaxys:7257773|Wikipedia:Pitavastatin phenio.json (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid|NK 104|NK-104|pitavastatia|pitavastatin|pitavastatine|pitavastatinum http://purl.obolibrary.org/obo/CHEBI_32020 3_STAR
CHEBI:32023 biolink:ChemicalSubstance plaunotol A diterpenoid that is geranylgeraniol carrying an additional hydroxy substituent at position 18. CAS:64218-02-6|Drug_Central:2222|KEGG:C13273|KEGG:D01803|MetaCyc:CPD-11423|PMID:10817427|PMID:10824880|PMID:12096020|PMID:17827146|PMID:18805546|PMID:21279879|PMID:21661449|PMID:22752851|PMID:23092673|PMID:24286075|PMID:2471968|PMID:3101705|PMID:8737142|PMID:8889714|PMID:9306259|PMID:9738829|PMID:9785600|Patent:US4059641|Reaxys:2217548 phenio.json (2Z,6E)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-6-methylocta-2,6-diene-1,8-diol|(E,Z,E)-7-Hydroxymethyl-3,11,15-trimethyl-2,6,10,14-hexadecatetraen-1-ol|18-Hydroxygeranylgeraniol|Kelnac|Plaunotolum|plaunotol http://purl.obolibrary.org/obo/CHEBI_32023 3_STAR
CHEBI:32024 biolink:ChemicalSubstance polaprezinc CAS:107667-60-7|DrugBank:DB09221|KEGG:D01611|PMID:22382829|PMID:2480637|PMID:30396959|Wikipedia:Zinc_L-carnosine phenio.json Promac|polaprezinc|polaprezincum http://purl.obolibrary.org/obo/CHEBI_32024 2_STAR
CHEBI:32027 biolink:ChemicalSubstance polyoxyl 40 stearate An octadecanoate ester composed of repeating 8-40 ethyleneoxy units. It is an ingredient used in cosmetics and beauty products primarily as a surfactant and emulsifier. CAS:9004-99-3|FooDB:FDB010109|HMDB:HMDB0032477|KEGG:D01542|PMID:13818713|PMID:16455610|PMID:18170979|PMID:18178069|PMID:19041719|PMID:19442720|PMID:20827822|PMID:25839185|PMID:26325306|PMID:29404955|PMID:30312943|PMID:31963934|PMID:3448797|PMID:42723|PMID:5499459|PMID:7452463|PMID:7452464|PMID:8748279|PMID:9350735|Wikipedia:Polyoxyethylene_stearate phenio.json E431|Myrj 49|Myrj 52|Myrj S40|PEG stearate|alpha-octadecanoyl-omega-hydroxypoly(oxyethane-1,2-diyl)|macrogol 40 stearate|macrogol stearate 2000|polyethylene glycol monostearate|polyethylene glycol stearate|polyoxyethylene (40) monostearate|polyoxyethylene (40) stearate|polyoxyethylene monostearate|polyoxyethylene stearate|polyoxyl 40 stearate|polyoxyl 8 stearate|stearic acid, monoester with polyethylene glycol http://purl.obolibrary.org/obo/CHEBI_32027 3_STAR
CHEBI:32030 biolink:ChemicalSubstance potassium bromide A metal bromide salt with a K(+) counterion. CAS:7758-02-3|KEGG:C13198|KEGG:D01731 phenio.json KBr|Kaliumbromid|Potassium bromide|potassium bromide http://purl.obolibrary.org/obo/CHEBI_32030 3_STAR
CHEBI:32040 biolink:ChemicalSubstance Pranoprofen CAS:52549-17-4|Drug_Central:2238|HMDB:HMDB0041996|KEGG:D01578|LINCS:LSM-5110 phenio.json Pranoprofen|dl-Pranoprofen|niflan|oftalar http://purl.obolibrary.org/obo/CHEBI_32040 2_STAR
CHEBI:32060 biolink:ChemicalSubstance propagermanium Beilstein:4141883|CAS:12758-40-6|KEGG:C13086 phenio.json 2-carboxyethylgermasesquioxane|3,3'-(1,3-dioxo-1,3-digermoxanediyl)dipropionic acid|3,3'-(1,3-dioxodigermoxane-1,3-diyl)dipropanoic acid|Propagermanium|Proxigermanium|carboxyethylgermanium sesquioxide http://purl.obolibrary.org/obo/CHEBI_32060 3_STAR
CHEBI:32061 biolink:ChemicalSubstance Propentofylline CAS:55242-55-2|Drug_Central:2296|KEGG:D01630|LINCS:LSM-3315 phenio.json Propentofylline|propentophylline http://purl.obolibrary.org/obo/CHEBI_32061 2_STAR
CHEBI:32063 biolink:ChemicalSubstance propylparaben The benzoate ester that is the propyl ester of 4-hydroxybenzoic acid. Preservative typically found in many water-based cosmetics, such as creams, lotions, shampoos and bath products. Also used as a food additive. CAS:94-13-3|Drug_Central:2307|HMDB:HMDB0032574|KEGG:D01422|PMID:21492176|PMID:21549034|PMID:21608130|PMID:21645663|PMID:21705745|PMID:21886901|PMID:22165009|PMID:22177019|PMID:22220814|PMID:22237600|PMID:22249112|PMID:22305363|PMID:22337803|Reaxys:1103245|Wikipedia:Propylparaben phenio.json 4-Hydroxybenzoic acid propyl ester|4-Hydroxybenzoic acid, propyl ester|Propyl p-hydroxybenzoate|Propyl parahydroxybenzoate|n-Propyl 4-hydroxybenzoate|n-Propyl p-hydroxybenzoate|n-propyl paraben|p-Hydroxybenzoic acid propyl ester|p-Hydroxybenzoic propyl ester|p-Hydroxypropyl benzoate|p-Oxybenzoesaeurepropylester|propyl 4-hydroxybenzoate|propyl paraben http://purl.obolibrary.org/obo/CHEBI_32063 3_STAR
CHEBI:32066 biolink:ChemicalSubstance Prothionamide CAS:14222-60-7|Drug_Central:2314|KEGG:D01195|LINCS:LSM-4210 phenio.json 2-Propylisonicotinylthioamide|2-Propylthioisonicotinamide|Prothionamide|prothionamide|protionamid http://purl.obolibrary.org/obo/CHEBI_32066 2_STAR
CHEBI:3207 biolink:ChemicalSubstance budesonide A glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and prevention of nasal polyposis. CAS:51333-22-3|DrugBank:DB01222|Drug_Central:419|KEGG:D00246|PMID:21616561|Patent:DE2323215|Patent:US3929768|Wikipedia:Budesonide phenio.json (11beta,16alpha)-16,17-(Butylidenebis(oxy))-11,21-dihydroxypregna-1,4-diene-3,20-dione|11beta,21-dihydroxy-16alpha,17alpha-(butane-1,1-diyldioxy)pregna-1,4-diene-3,20-dione|budesonide http://purl.obolibrary.org/obo/CHEBI_3207 3_STAR
CHEBI:32070 biolink:ChemicalSubstance Proxyphylline CAS:603-00-9|Drug_Central:2323|KEGG:D01771|LINCS:LSM-4382 phenio.json Proxyphylline|beta-Hydroxypropyltheophylline|hydroxypropyltheophylline|monophylline|oxypropyltheophylline|proxiphylline|purophyllin http://purl.obolibrary.org/obo/CHEBI_32070 2_STAR
CHEBI:32071 biolink:ChemicalSubstance Prulifloxacin CAS:123447-62-1|Drug_Central:2325|KEGG:D01144 phenio.json NM441|Prulifloxacin http://purl.obolibrary.org/obo/CHEBI_32071 2_STAR
CHEBI:32076 biolink:ChemicalSubstance zinc pyrithione CAS:13463-41-7|Gmelin:470197|KEGG:C13427|KEGG:D01938|Wikipedia:Pyrithione_Zinc phenio.json (T-4)-bis(1-hydroxy-2(1H)-pyridinethionato-O,S)zinc|Pyrithion-Zink|Pyrithione zinc|Zinc pyrithione|bis(1-hydroxy-2(1H)-pyridinethionato)zinc|bis(2-pyridinethiol-1-oxide)zinc|bis(2-pyridylthio)zinc 1,1'-dioxide|bis[pyridine-2-thiolato-kappaS 1(oxide-kappaO)]zinc|zinc pyridinethione http://purl.obolibrary.org/obo/CHEBI_32076 3_STAR
CHEBI:3208 biolink:ChemicalSubstance Budlein A CAS:59481-48-0|KEGG:C09351|KNApSAcK:C00003226 phenio.json Budlein A http://purl.obolibrary.org/obo/CHEBI_3208 2_STAR
CHEBI:32087 biolink:ChemicalSubstance Ramatroban CAS:116649-85-5|Drug_Central:2354|KEGG:D01128 phenio.json Ramatroban|baynas http://purl.obolibrary.org/obo/CHEBI_32087 2_STAR
CHEBI:32090 biolink:ChemicalSubstance Rebamipide CAS:111911-87-6|KEGG:D01121 phenio.json Rebamipide http://purl.obolibrary.org/obo/CHEBI_32090 2_STAR
CHEBI:32095 biolink:ChemicalSubstance retinyl acetate Beilstein:1915439|CAS:127-47-9|Drug_Central:2372|KEGG:D01621|LIPID_MAPS_instance:LMPR01090012 phenio.json (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate|O(15)-acetylretinol|Retinol acetate|Vitamin A alcohol acetate|all-trans-Retinol acetate|all-trans-Retinyl acetate|all-trans-Vitamin A acetate http://purl.obolibrary.org/obo/CHEBI_32095 3_STAR
CHEBI:32109 biolink:ChemicalSubstance (Z)-roxithromycin A minor geometrical isomer of roxithromycin. KEGG:C13173|KEGG:D01710 phenio.json (3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-10-{[(2-methoxyethoxy)methoxy]imino}-6-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one|Roxithromycin http://purl.obolibrary.org/obo/CHEBI_32109 3_STAR
CHEBI:32111 biolink:ChemicalSubstance saccharin A 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent. CAS:81-07-2|Gmelin:4203|HMDB:HMDB0029723|KEGG:D01085|MetaCyc:CPD-5581|PDBeChem:LSA|PMID:24456165|PMID:24549104|PMID:24739358|PMID:24780866|Reaxys:6888|Wikipedia:Saccharin phenio.json 1,1-Dioxo-1,2-benzisothiazol-3(2H)-one|1,1-Dioxo-1,2-dihydro-benzo[d]isothiazol-3-one|1,2-Benzisothiazol-3(2H)-one 1,1-dioxide|1,2-Benzisothiazolin-3-one 1,1-dioxide|1,2-Dihydro-2-ketobenzisosulfonazole|1,2-Dihydro-2-ketobenzisosulphonazole|1,2-benzisothiazol-3(2H)-one 1,1-dioxide|2,3-Dihydro-3-oxobenzisosulfonazole|2,3-Dihydro-3-oxobenzisosulphonazole|3-Hydroxybenzisothiazole-S,S-dioxide|Anhydro-o-sulfaminebenzoic acid|Benzo-2-sulphimide|Benzoic acid sulfimide|Benzoic sulfimide|Benzoic sulphimide|Benzosulfimide|Benzosulphimide|Benzoylsulfonic Imide|Saccharimide|Saccharin|Saccharine|o-Benzoic sulfimide|o-Benzosulfimide|o-Sulfobenzimide|o-Sulfobenzoic acid imide http://purl.obolibrary.org/obo/CHEBI_32111 3_STAR
CHEBI:32114 biolink:ChemicalSubstance salicylamide The simplest member of the class of salicylamides derived from salicylic acid. CAS:65-45-2|DrugBank:DB08797|Drug_Central:2415|Gmelin:142521|KEGG:D01811|PDBeChem:OHB|PMID:14729655|PMID:1650428|PMID:22530891|Reaxys:742439|Wikipedia:Salicylamide phenio.json 2-Carbamoylphenol|2-Carboxamidophenol|2-Hydroxybenzamide|2-hydroxybenzamide|OHB|Salicylic Acid amide|o-Hydroxybenzamide|salicilamida|salicylamide|salicylamidum http://purl.obolibrary.org/obo/CHEBI_32114 3_STAR
CHEBI:32115 biolink:ChemicalSubstance salvianin Beilstein:4647313|KEGG:C12647|KNApSAcK:C00006778 phenio.json 3-({6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}oxy)-7-hydroxy-2-(4-hydroxyphenyl)chromenium-5-yl 3,6-bis-O-(carboxyacetyl)-beta-D-glucopyranoside|Salvianin|pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-(4-O,6-O-dimalonyl-beta-D-glucoside) http://purl.obolibrary.org/obo/CHEBI_32115 3_STAR
CHEBI:32126 biolink:ChemicalSubstance Seratrodast CAS:112665-43-7|Drug_Central:2432|KEGG:D01123 phenio.json Bronica (TN)|Seratrodast|bronica|seratodrast http://purl.obolibrary.org/obo/CHEBI_32126 2_STAR
CHEBI:3213 biolink:ChemicalSubstance bumetanide A member of the class of benzoic acids that is 4-phenoxybenzoic acid in which the hydrogens ortho to the phenoxy group are substituted by butylamino and sulfamoyl groups. Bumetanide is a diuretic, and is used for treatment of oedema associated with congestive heart failure, hepatic and renal disease. CAS:28395-03-1|DrugBank:DB00887|Drug_Central:427|HMDB:HMDB0015024|KEGG:D00247|LINCS:LSM-2848|PMID:18374572|PMID:19454284|PMID:28166217|PMID:3989818|Patent:DE1964503|Patent:DE1964504|Patent:US3806534|Reaxys:2185351|Wikipedia:Bumetanide phenio.json 3-(aminosulfonyl)-5-(butylamino)-4-phenoxybenzoic acid|3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid|3-butylamino-4-(phenoxy)-5-sulfamoylbenzoic acid|3-butylamino-4-phenoxy-5-sulfamoyl-benzoic acid|3-butylamino-4-phenoxy-5-sulfamoylbenzoic acid|bumetanida|bumetanide|bumetanidum http://purl.obolibrary.org/obo/CHEBI_3213 3_STAR
CHEBI:32139 biolink:ChemicalSubstance sodium hydrogencarbonate CAS:144-55-8|DrugBank:DB01390|KEGG:C12603|KEGG:D01203|PPDB:2873|Wikipedia:Sodium_Bicarbonate phenio.json E 500|E-500|E500|NaHCO3|Natriumhydrogenkarbonat|Sodium bicarbonate|Sodium hydrogencarbonate|baking soda|bicarbonate of soda|carbonic acid monosodium salt|sodium acid carbonate|sodium hydrogen carbonate|sodium hydrogencarbonate http://purl.obolibrary.org/obo/CHEBI_32139 3_STAR
CHEBI:3215 biolink:ChemicalSubstance bupivacaine A racemate composed of equimolar amounts of dextrobupivacaine and levobupivacaine. Used (in the form of its hydrochloride hydrate) as a local anaesthetic. CAS:2180-92-9|CAS:38396-39-3|DrugBank:DB00297|HMDB:HMDB0014442|KEGG:C07529|KEGG:D07552|PMID:10211016|PMID:10499757|PMID:11018648|PMID:11020763|PMID:11412729|PMID:11529341|PMID:11759364|PMID:11778087|PMID:11801199|PMID:11812691|PMID:14980918|PMID:15321223|PMID:16037174|PMID:16418020|PMID:17134470|PMID:18299091|PMID:18420860|PMID:18451389|PMID:18940244|PMID:19468619|PMID:19800297|PMID:20164497|PMID:23446090|PMID:23807278|PMID:23925646|PMID:23978626|PMID:24117122|PMID:24117225|PMID:24200700|PMID:24317184|PMID:24393760|PMID:24398818|PMID:24445889|PMID:24450503|PMID:24476569|PMID:24513957|PMID:24532522|PMID:24535791|PMID:8368547|PMID:8489063|PMID:9209608|PMID:9989796|Patent:US2955111|Reaxys:280794|Wikipedia:Bupivacaine phenio.json (+-)-Bupivacaine|(+-)-bupivacaine|(RS)-bupivacaine|1-Butyl-2',6'-pipecoloxylidide|1-Butyl-N-(2,6-dimethylphenyl)-2-piperidinecarboxamide|Bupivacaine|Carbostesin|DL-Bupivacaine|bupivacaina|bupivacaine|bupivacainum|dl-1-Butyl-2',6'-pipecoloxylidide|rac-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide|racemic bupivacaine http://purl.obolibrary.org/obo/CHEBI_3215 3_STAR
CHEBI:32151 biolink:ChemicalSubstance Solifenacin succinate CAS:242478-38-2|KEGG:D01269 phenio.json Solifenacin succinate http://purl.obolibrary.org/obo/CHEBI_32151 2_STAR
CHEBI:32154 biolink:ChemicalSubstance octadecan-1-ol A long-chain primary fatty alcohol consisting of a hydroxy function at C-1 of an unbranched saturated chain of 18 carbon atoms. CAS:112-92-5|HMDB:HMDB0002350|KEGG:D01924|KNApSAcK:C00029422|LIPID_MAPS_instance:LMFA05000085|MetaCyc:CPD-7873|PMID:10884288|PMID:11722503|PMID:1583866|PMID:21137365|PMID:2241202|PMID:23173706|PMID:2666627|PMID:26673629|PMID:8373640|Reaxys:1362907|Wikipedia:Stearyl_alcohol phenio.json 1-hydroxyoctadecane|1-octadecanol|Stearylalkohol|n-1-octadecanol|n-octadecanol|n-octadecyl alcohol|octadecan-1-ol|octadecanol|stearyl alcohol http://purl.obolibrary.org/obo/CHEBI_32154 3_STAR
CHEBI:32158 biolink:ChemicalSubstance streptomycin sulfate BPDB:2472|CAS:3810-74-0|KEGG:D01350 phenio.json Streptomycin sulfate http://purl.obolibrary.org/obo/CHEBI_32158 2_STAR
CHEBI:3216 biolink:ChemicalSubstance buprenorphine A morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substituted by cyclopropyl, and a hydrogen at position 7 is substituted by a 2-hydroxy-3,3-dimethylbutan-2-yl group. It is highly effective for the treatment of opioid use disorder and is also increasingly being used in the treatment of chronic pain. Beilstein:6182863|CAS:52485-79-7|Chemspider:559124|DrugBank:DB00921|Drug_Central:434|HMDB:HMDB0015057|KEGG:C08007|KEGG:D07132|MetaCyc:CPD-22086|PMCID:PMC7711199|PMID:10649968|PMID:11303059|PMID:15181649|PMID:15781180|PMID:16642964|PMID:16650985|PMID:17887741|PMID:18997874|PMID:19402772|PMID:32925232|PMID:33378137|Patent:GB1136214|Patent:US3433791|VSDB:1789|Wikipedia:Buprenorphine phenio.json (-)-buprenorphine|(5alpha,6beta,14beta,18R)-17-(cyclopropylmethyl)-18-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-6-methoxy-18,19-dihydro-4,5-epoxy-6,14-ethenomorphinan-3-ol|17-cyclopropylmethyl-4,5alpha-epoxy-7alpha-((S)-1-hydroxy-1,2,2-trimethylpropyl)-6-methoxy-6,14-endo-ethanomorphinan-3-ol|2-(N-cyclopropylmethyl-4,5alpha-epoxy-3-hydroxy-6-methoxy-6,14-endo-ethanomorphinan-6alpha-yl)-3,3-dimethyl-2-butanol|2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(14R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-3,3-dimethyl-2-butanol|21-cyclopropyl-7alpha-[(S)-1-hydroxy-1,2,2-trimethylpropyl]-6,14-endo-ethano-6,7,8,14-tetrahydrooripavine|Buprenorphine|buprenorfina|buprenorphine|buprenorphinum http://purl.obolibrary.org/obo/CHEBI_3216 3_STAR
CHEBI:32161 biolink:ChemicalSubstance sulfadimethoxine A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. CAS:122-11-2|DrugBank:DB06150|Drug_Central:2501|Gmelin:677830|HMDB:HMDB0015621|KEGG:D01142|LINCS:LSM-5790|PMID:11431418|PMID:12038137|PMID:13831481|PMID:13840927|PMID:14435331|PMID:14437387|PMID:16001847|PMID:16390193|PMID:18574183|PMID:19927815|Reaxys:306856|VSDB:1833|Wikipedia:Sulfadimethoxine phenio.json 2,4-dimethoxy-6-sulfanilamido-1,3-diazine|2,6-dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidine|2,6-dimethoxy-4-sulfanilamidopyrimidine|4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide|4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide|6-sulfanilamido-2,4-dimethoxypyrimidine|Abcid (TN)|Agribon (TN)|N(1)-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide|Sulfadimethoxine|Sulfadimethoxydiazine|Sulphadimethoxine|sulfadimethoxinum|sulfadimetoxina http://purl.obolibrary.org/obo/CHEBI_32161 3_STAR
CHEBI:32167 biolink:ChemicalSubstance 1,2-diacyl-3-(alpha-D-6-sulfoquinovosyl)-sn-glycerol A glycosylglycerol derivative in which the glycosyl moiety is alpha-D-6-sulfoquinovosyl attached at O-3, with O-1 and O-2 both acylated. KEGG:C13508 phenio.json 1,2-Diacyl-3-(6-sulfo-alpha-D-quinovosyl)-sn-glycerol|1,2-di-O-acyl-3-O-(6-deoxy-6-sulfo-alpha-D-glucopyranosyl)-sn-glycerol|1,2-diacyl-3-(6-deoxy-6-sulfo-alpha-D-glucopyranosyl)-sn-glycerol|SQDG|Sulfoquinovosyldiacylglycerol|sulfoquinovosyldiacylglycerols http://purl.obolibrary.org/obo/CHEBI_32167 3_STAR
CHEBI:32168 biolink:ChemicalSubstance sulpiride A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine. CAS:15676-16-1|DrugBank:DB00391|Drug_Central:2537|KEGG:D01226|LINCS:LSM-5080|PMID:16327907|PMID:16924461|PMID:17912501|PMID:17942035|PMID:18757738|PMID:18985321|PMID:19370694|PMID:19546258|PMID:19672580|PMID:19864199|PMID:19941957|PMID:20061345|PMID:20091661|PMID:20177884|PMID:20304506|PMID:20305607|PMID:20538381|PMID:20599913|PMID:20875676|Patent:DE2903891|Patent:US3342826|Reaxys:494008|Wikipedia:Sulpiride phenio.json (+-)-sulpiride|5-(Aminosulfonyl)-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-methoxybenzamide|N-((1-Ethyl-2-pyrrolidinyl)methyl)-2-methoxy-5-sulfamoylbenzamide|N-((1-Ethyl-2-pyrrolidinyl)methyl)-5-sulfamoyl-o-anisamide|N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide|Sulpirid|Sulpyrid|sulpirida|sulpiride|sulpiridum http://purl.obolibrary.org/obo/CHEBI_32168 3_STAR
CHEBI:32171 biolink:ChemicalSubstance Sultiame CAS:61-56-3|Chemspider:5163|Drug_Central:2540|KEGG:D01787|PDBeChem:OSP phenio.json 4-(1,1-dioxido-1,2-thiazinan-2-yl)benzenesulfonamide|4-(1,1-dioxo-1lambda(6),2-thiazinan-2-yl)benzene-1-sulfonamide|SULTHIAME|Sulthiame|sulphenyltame|sulphenytame|sulphthiame|sulthiam|sulthiamine|sultiam|trolone http://purl.obolibrary.org/obo/CHEBI_32171 2_STAR
CHEBI:32172 biolink:ChemicalSubstance Suplatast tosilate CAS:94055-75-1|CAS:94055-76-2|Drug_Central:2545|KEGG:C12869 phenio.json Ipd 1151T (TN)|Suplatast tosilate|Suplatast tosylate|suplatast tosilate http://purl.obolibrary.org/obo/CHEBI_32172 2_STAR
CHEBI:32181 biolink:ChemicalSubstance tamibarotene A dicarboxylic acid monoamide resulting from the condensation of one of the carboxy groups of terephthalic acid with the amino group of 5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine. CAS:94497-51-5|DrugBank:DB04942|Drug_Central:3580|HMDB:HMDB0015605|KEGG:C12864|KEGG:D01418|LINCS:LSM-5493|PDBeChem:A80|PMID:16531727|PMID:17925887|PMID:19182380|PMID:19389933|PMID:19514122|PMID:22014829|PMID:22863914|PMID:23404745|PMID:25448496|Reaxys:3564473|Wikipedia:Tamibarotene phenio.json 4-[(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid|Am 80|Am-80|Amnoid|Tamibaro|Tamibarotene|retinobenzoic acid http://purl.obolibrary.org/obo/CHEBI_32181 3_STAR
CHEBI:32184 biolink:ChemicalSubstance tazarotene The ethyl ester of tazarotenic acid. A prodrug for tazarotenic acid, it is used for the treatment of psoriasis, acne, and sun-damaged skin. Beilstein:8159145|CAS:118292-40-3|DrugBank:DB00799|Drug_Central:2571|HMDB:HMDB0014937|KEGG:C12531|KEGG:D01132|Patent:EP284288|Patent:US5089509|Wikipedia:Tazarotene phenio.json Avage|Tazorac|Zorac|ethyl 6-[(4,4-dimethyl-3,4-dihydro-2H-thiochromen-6-yl)ethynyl]nicotinate|tazarotene|tazaroteno|tazarotenum http://purl.obolibrary.org/obo/CHEBI_32184 3_STAR
CHEBI:32188 biolink:ChemicalSubstance Tegafur CAS:17902-23-7|Drug_Central:4398|KEGG:C12673|KEGG:D01244|LINCS:LSM-5155 phenio.json FT-207|Tegafur|florafur|ftorafur|futraful http://purl.obolibrary.org/obo/CHEBI_32188 2_STAR
CHEBI:3219 biolink:ChemicalSubstance bupropion An aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring. CAS:34841-39-9|CAS:34911-55-2|DrugBank:DB01156|Drug_Central:435|HMDB:HMDB0001510|KEGG:C06860|KEGG:D07591|LINCS:LSM-1267|MetaCyc:CPD-3481|PMID:12826985|PMID:15876900|Reaxys:2101062|Wikipedia:Bupropion phenio.json 2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one|Bupropion http://purl.obolibrary.org/obo/CHEBI_3219 3_STAR
CHEBI:32190 biolink:ChemicalSubstance Temocapril hydrochloride CAS:110221-44-8|KEGG:D01119 phenio.json Temocapril hydrochloride http://purl.obolibrary.org/obo/CHEBI_32190 2_STAR
CHEBI:32191 biolink:ChemicalSubstance Tenatoprazole CAS:113712-98-4|KEGG:D01920 phenio.json TU 199|Tenatoprazole http://purl.obolibrary.org/obo/CHEBI_32191 2_STAR
CHEBI:32192 biolink:ChemicalSubstance tenoxicam A thienothiazine-derived monocarboxylic acid amide obtained by formal condensation of the carboxy group of 4-hydroxy-2-methylthieno[2,3-e][1,2]thiazine-3-carboxylic acid 1,1-dioxide with the amino group of 2-aminopyridine. Used for the treatment of pain and inflammation in osteoarthritis and rheumatoid arthritis. It is also indicated for short term treatment of acute musculoskeletal disorders including strains, sprains and other soft-tissue injuries. CAS:59804-37-4|DrugBank:DB00469|Drug_Central:2595|KEGG:D01767|PMID:21129461|PMID:21327813|PMID:21682312|PMID:21712619|PMID:21777594|PMID:21929527|PMID:21981557|PMID:22095696|PMID:22182582|PMID:22306394|PMID:22675955|PMID:22841852|PMID:22876956|PMID:23204620|PMID:23273940|PMID:23340327|PMID:23480456|PMID:23656309|PMID:23932198|PMID:24037655|PMID:24093711|PMID:28166217|Patent:US2008014272|Patent:US4687766|Reaxys:572193|Wikipedia:Tenoxicam phenio.json 4-hydroxy-2-methyl-N-(pyridin-2-yl)-2H-thieno[2,3-e][1,2]thiazine-3-carboxamide 1,1-dioxide|Mobiflex|Tilcotil|tenoxicam|tenoxicamum http://purl.obolibrary.org/obo/CHEBI_32192 3_STAR
CHEBI:32193 biolink:ChemicalSubstance Terguride CAS:37686-84-3|Drug_Central:2601|KEGG:D01348 phenio.json Terguride|dironyl|dironyl maleate|tergurid|terguride hydrogen maleate|transdihydrolisuride http://purl.obolibrary.org/obo/CHEBI_32193 2_STAR
CHEBI:32195 biolink:ChemicalSubstance Tesaglitazar CAS:251565-85-2|KEGG:D01274 phenio.json Tesaglitazar http://purl.obolibrary.org/obo/CHEBI_32195 2_STAR
CHEBI:32220 biolink:ChemicalSubstance Tiapride hydrochloride CAS:51012-33-0|KEGG:D01522 phenio.json Tiapride hydrochloride http://purl.obolibrary.org/obo/CHEBI_32220 2_STAR
CHEBI:32223 biolink:ChemicalSubstance tibolone Estran-3-one with a double bond between positions 5 and 10, and bearing both an ethynyl group and a hydroxy group at position 17 (R-configuration). A synthetic steroid hormone drug which acts as an agonist at all five type I steroid hormone receptors, it is used in the prevention of postmenopausal osteoporosis and for treatment of endometriosis. CAS:5630-53-5|Drug_Central:2655|KEGG:D01639|Patent:US3340279|Patent:US3475465 phenio.json (17R)-17-hydroxy-7alpha-methyl-19-norpregn-5(10)-en-20-yn-3-one|(7alpha,17alpha)-17-hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one|(7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-5(10)en-3-one|17-hydroxy-7alpha-methyl-19-nor-17alpha-pregn-5(10)-en-20-yn-3-one|17alpha-ethynyl-17beta-hydroxy-7alpha-methylestr-5(10)-en-3-one|tibolona|tibolone|tibolonum http://purl.obolibrary.org/obo/CHEBI_32223 3_STAR
CHEBI:32229 biolink:ChemicalSubstance Tiopronin CAS:1953-02-2|Drug_Central:2676|KEGG:C12876|KEGG:D01430 phenio.json (+/-)-Tiopronin|Tiopronin|acadione|alpha-Mercaptopropionylglycine|capen|captimer|hepadigest|mercaptopropionylglycine|thiolpropionamidoacetic acid|thiopronin|thiopronine|tiopronine http://purl.obolibrary.org/obo/CHEBI_32229 2_STAR
CHEBI:3223 biolink:ChemicalSubstance buspirone An azaspiro compound that is 8-azaspiro[4.5]decane-7,9-dione substituted at the nitrogen atom by a 4-(piperazin-1-yl)butyl group which in turn is substituted by a pyrimidin-2-yl group at the N(4) position. CAS:36505-84-7|DrugBank:DB00490|Drug_Central:437|HMDB:HMDB0014633|KEGG:C06861|KEGG:D07593|LINCS:LSM-4105|PMID:15876901|PMID:20825390|PMID:26746121|PMID:8638511|Patent:DE2057845|Patent:US3717634|Reaxys:964904|Wikipedia:Buspirone phenio.json 8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione|8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione|Buspirone|buspirona|buspirone|buspironum http://purl.obolibrary.org/obo/CHEBI_3223 3_STAR
CHEBI:32232 biolink:ChemicalSubstance tiquizium bromide A organic bromide salt of tiquizium. It is an antispasmodic drug used for the treatment of convulsion and hypermobility in gastritis, gastric ulcer, duodenal ulcer, enteritis, irritable bowel syndrome, gallbladder disease, biliary tract disease and urolithiasis. CAS:71731-58-3|Drug_Central:2678|KEGG:D01875|PMID:10475017|PMID:11855677|PMID:2881461|PMID:2895053|PMID:2895054|PMID:3656779|PMID:4090525|PMID:6120131|PMID:6277751|PMID:6631675|PMID:6677720|PMID:7262709|PMID:7302972|PMID:8839659 phenio.json (5R,9aR)-3-[di(thiophen-2-yl)methylidene]-5-methyloctahydro-2H-quinolizin-5-ium bromide|(5R,9aR)-3-[di(thiophen-2-yl)methylidene]-5-methyloctahydro-2H-quinolizinium bromide|3-(di(2-thienyl)methylene)-5-methyldecahydroquinolizinium bromide|3-(di-2-thienylmethylene)-5-methyl-trans-quinolizidinium bromide|Advaston|Aspora|Breiful|Gastirol|HSR 902|HSR-902|Thiameron|Thiaton|Thiwan|Tiapaston|bromure de tiquizium|bromuro de tiquizio|tiquizii bromidum|tiquizium bromide|trans-3-(di-2-thienylmethylene)octahydro-5-methyl-2H-quinolizinium bromide http://purl.obolibrary.org/obo/CHEBI_32232 3_STAR
CHEBI:32234 biolink:ChemicalSubstance titanium dioxide A titanium oxide with the formula TiO2. A naturally occurring oxide sourced from ilmenite, rutile and anatase, it has a wide range of applications. CAS:13463-67-7|Drug_Central:4237|Gmelin:833511|Gmelin:9354|KEGG:C13409|KEGG:D01931|MolBase:272|PMID:29079364|PPDB:1311|Wikipedia:Titanium_Dioxide phenio.json E 171|TiO2|Titandioxid|Titanium dioxide|Titanium oxide|[TiO2]|bis(oxido)titanium|dioxido de titanio|dioxyde de titane|oxido de titanio(IV)|titania|titanium dioxide|titanium(IV) oxide http://purl.obolibrary.org/obo/CHEBI_32234 3_STAR
CHEBI:32243 biolink:ChemicalSubstance tolfenamic acid An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 3-chloro-2-methylphenyl group. Tolfenamic acid is used specifically for relieving the pain of migraine. It also shows anticancer activity. CAS:13710-19-5|Drug_Central:2698|KEGG:D01183|LINCS:LSM-5612|PMID:20797618|PMID:21392038|PMID:21879384|PMID:22213339|PMID:22815231|PMID:22954807|PMID:23340327|PMID:23576386|PMID:23609055|PMID:23620261|PMID:23639209|PMID:23661145|PMID:23670891|PMID:23686785|PMID:23784084|PMID:23811329|PMID:23864386|PMID:23874066|PMID:23896517|PMID:24030139|PMID:24073394|PMID:24104354|PMID:24216474|Patent:US2003060465|Reaxys:657821|VSDB:1874|Wikipedia:Tolfenamic_acid phenio.json 2-[(3-chloro-2-methylphenyl)amino]benzoic acid|N-(2-Methyl-3-chlorophenyl)anthranilic acid|N-(3-Chloro-2-methylphenyl)anthranilic acid|N-(3-Chloro-o-tolyl)-anthranilic acid|acide tolfenamique|acido tolfenamico|acidum tolfenamicum|tolfenamic acid http://purl.obolibrary.org/obo/CHEBI_32243 3_STAR
CHEBI:32245 biolink:ChemicalSubstance tolterodine tartrate Beilstein:8601255|CAS:124937-52-6|DrugBank:DB01036|KEGG:D01148 phenio.json (+)-(R)-2-(I-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol L-tartrate (1:1) (salt)|(R)-2-(3-(Bis(1-methylethyl)amino)-1-phenylpropyl)-4-methylphenol (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)(salt)|2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol (2R,3R)-2,3-dihydroxybutanedioic acid hydrate http://purl.obolibrary.org/obo/CHEBI_32245 3_STAR
CHEBI:32246 biolink:ChemicalSubstance tolvaptan A racemate comprising of equimolar amounts of (R)- and (S)-tolvaptan. It is a selective vasopressin V2 receptor antagonist used to treat euvolemic and hypervolemic hyponatremia. It is also used in the treatment of rapidly progressing autosomal dominant polycystic kidney disease to slow the rate of cyst development and renal insufficiency. CAS:150683-30-0|DrugBank:DB06212|Drug_Central:4110|KEGG:D01213|PMID:12742979|PMID:16211205|PMID:33078835|PMID:34070416|PMID:34386666|PMID:34476570|PMID:34514204|PMID:34526469|PMID:34554640|PMID:37214762|PMID:37466863|PMID:37516894|PMID:37587049|PMID:37845144|PMID:37845430|PMID:37916285|PMID:37982946|PMID:38097698|PMID:38288467|PMID:38337413|PMID:38344178|PMID:38396765|PMID:38414126|PMID:38423003|PMID:38468548|PMID:38494546|PMID:38509003|PMID:38512373|PMID:38562967|PMID:38577748|PMID:38606040|PMID:38608748|PMID:38616432|PMID:38652561|PMID:38710808|PMID:38717378|Wikipedia:Tolvaptan phenio.json (+-)-4'-[(7-chloro-2,3,4,5-tetrahydro-5-hydroxy-1H-1-benzazepin-1-yl)carbonyl]-o-tolu-m-toluidide|(+-)-tolvaptan|(RS)-tolvaptan|Jinarc|Jynarque|N-(4-{[(5RS)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-methylbenzamide|OPC 41061|OPC-41061|RS-tolvaptan|Samsca|rac-N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide|tolvaptan|tolvaptanum http://purl.obolibrary.org/obo/CHEBI_32246 3_STAR
CHEBI:32260 biolink:ChemicalSubstance trilostane An epoxy steroid that is 3,17beta-dihydroxy-5alpha-androst-2-ene-2-carbonitrile in which the oxygen of the epoxy group is joined to the 4alpha and 5 alpha positions. CAS:13647-35-3|DrugBank:DB01108|Drug_Central:2746|KEGG:D01180|Patent:US3296255|VSDB:1891|Wikipedia:Trilostane phenio.json 3,17beta-dihydroxy-4alpha,5-epoxy-5alpha-androst-2-ene-2-carbonitrile|trilostane|trilostano|trilostanum http://purl.obolibrary.org/obo/CHEBI_32260 3_STAR
CHEBI:32269 biolink:ChemicalSubstance tropisetron An indolyl carboxylate ester obtained by formal condensation of the carboxy group of indole-3-carboxylic acid with the hydroxy group of tropine. CAS:89565-68-4|Drug_Central:2775|KEGG:C13666|KEGG:D02130|PDBeChem:TKT|PMID:22905891|PMID:23135693|PMID:23415734|PMID:23440693|PMID:23515583|PMID:23717236|PMID:23727438|PMID:23774631|PMID:23868810|PMID:23896722|PMID:23937291|PMID:24226381|PMID:24374478|PMID:24389031|PMID:24455480|PMID:24461640|Reaxys:3619989|Wikipedia:Tropisetron phenio.json (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate|1alphaH,5alphaH-Tropan-3alpha-yl indole-3-carboxylate|tropisetron|tropisetronum http://purl.obolibrary.org/obo/CHEBI_32269 3_STAR
CHEBI:32270 biolink:ChemicalSubstance trospium chloride An organic chloride salt of trospium. It is an antispasmodic drug used for the treatment of overactive bladder. CAS:10405-02-4|DrugBank:DBSALT000883|Drug_Central:2776|KEGG:D01103|PMID:15289745|PMID:15684176|PMID:15779697|PMID:17722614|PMID:19193592|PMID:22120415|PMID:23453648|PMID:25466967|PMID:27765726|PMID:28050642|PMID:28067745|PMID:28468509|PMID:28792105|PMID:30217174|PMID:30697533|PMID:31542894|Wikipedia:Trospium_chloride phenio.json (1S,3R,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium chloride|IP-631|IP631|Regurin|Relaspium|Sanctura|Sanctura XR|Santura|Spasmed|Spasmex|Spasmo 3|Spasmo-lyt|Spasmolyt|Spasmoplex|Trofame|Trosec|Trospikan|Trospium chloride|Uraplex|chlorure de trospium|cloruro de trospio|trospii chloridum|trospium Cl|trospium chloride http://purl.obolibrary.org/obo/CHEBI_32270 3_STAR
CHEBI:32274 biolink:ChemicalSubstance UDP-3-keto-alpha-D-glucose UDP-sugar having 3-keto-alpha-D-glucose as the sugar component. KEGG:C12210|MetaCyc:CPD-10220|Reaxys:875175 phenio.json UDP-3-dehydro-alpha-D-glucose|UDP-3-keto-D-glucose|UDP-3-ketoglucose|uridine 5'-[3-(alpha-D-ribo-hexopyranosyl-3-ulose) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_32274 3_STAR
CHEBI:32278 biolink:ChemicalSubstance Urapidil CAS:34661-75-1|Drug_Central:2796|KEGG:D01333|LINCS:LSM-5807 phenio.json Urapidil|ebrantil|eupressyl|mediatensyl|urapidil HCl|urapidil hydrochloride|uraprene|uropidil http://purl.obolibrary.org/obo/CHEBI_32278 2_STAR
CHEBI:32293 biolink:ChemicalSubstance verteporfin An equimolar mixture of the 9-methyl ester and 13-methyl ester of trans-(+-)-18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-23H,25H-benzo[b]porphine-9,13-dipropanoic acid. It is used as a photosensitizer in photodynamic therapy to eliminate the abnormal blood vessels in the eye associated with neovascular (wet) age-related macular degeneration. Verteporfin accumulates in these abnormal blood vessels and, when activated by red (693 nm) laser light in the presence of oxygen, produces highly reactive short-lived singlet oxygen and other reactive oxygen radicals, resulting in local damage to the endothelium and blockage of the vessels. CAS:129497-78-5|DrugBank:DB00460|KEGG:D01162|PMID:25494214|PMID:26361148|PMID:26443705|Reaxys:13501128|Reaxys:13501141 phenio.json Visudyne|trans-(+-)-18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-23H,25H-benzo[b]porphine-9,13-dipropanoic acid monomethyl ester|trans-(+-)-18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-23H,25H-benzo[b]porphine-9,13-dipropionic acid monomethyl ester|trans-18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-23H,25H-benzo[b]porphine-9,13-dipropanoic acid monomethyl ester|trans-18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-23H,25H-benzo[b]porphine-9,13-dipropionic acid monomethyl ester|verteporfin http://purl.obolibrary.org/obo/CHEBI_32293 3_STAR
CHEBI:32297 biolink:ChemicalSubstance Vinpocetine CAS:42971-09-5|Drug_Central:2828|KEGG:C12807|KEGG:D01371|LINCS:LSM-3178|PMID:24134630 phenio.json Vinpocetine|apovincaminic acid ethyl ester|bravinton|cavinton|ceractin|ethyl apovincaminate|ethyl apovincaminate tartrate|vinporal http://purl.obolibrary.org/obo/CHEBI_32297 2_STAR
CHEBI:32300 biolink:ChemicalSubstance Voglibose CAS:83480-29-9|Drug_Central:2845|HMDB:HMDB0015598|KEGG:D01665 phenio.json 3,4-Dideoxy-4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]-2-C-(hydroxymethyl)-D-epi-inositol|AO-128|Basen (TN)|Voglibose|glustat|voglistat http://purl.obolibrary.org/obo/CHEBI_32300 2_STAR
CHEBI:32304 biolink:ChemicalSubstance 2-cis,4-trans-xanthoxin CAS:26932-58-1|CAS:8066-07-7|KEGG:C13453|KNApSAcK:C00007240|PMID:12809718 phenio.json (2Z,4E)-5-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-3-methylpenta-2,4-dienal|2-cis,4-trans-Xanthoxin|2-cis,4-trans-xanthoxin|Xanthoxin http://purl.obolibrary.org/obo/CHEBI_32304 3_STAR
CHEBI:32315 biolink:ChemicalSubstance zopiclone A pyrrolo[3,4-b]pyrazine compound having a 4-methylpiperazine-1-carboxyl group at the 5-position, a 5-chloropyridin-2-yl group at the 6-position and an oxo-substituent at the 7-position. Beilstein:768704|CAS:43200-80-2|DrugBank:DB01198|Drug_Central:2873|KEGG:D01372|LINCS:LSM-4408|Patent:DE2300491|Patent:US3862149|Wikipedia:Zopiclone phenio.json (+-)-zopiclone|6-(5-Chloro-2-pyridinyl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methyl-1-piperazinecarboxylate|6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate|zopiclona|zopiclone|zopiclonum http://purl.obolibrary.org/obo/CHEBI_32315 3_STAR
CHEBI:32316 biolink:ChemicalSubstance zotepine Beilstein:1435710|CAS:26615-21-4|Drug_Central:2875|KEGG:D01321|LINCS:LSM-6636|Patent:DE1907670|Patent:US3704245 phenio.json 2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-thiepin|2-Chloro-11-(2-(dimethylamino)ethoxy)dibenzo(b,f)thiepin|2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethylethanamine|Lodopin|Setous|zotepina|zotepine|zotepinum http://purl.obolibrary.org/obo/CHEBI_32316 3_STAR
CHEBI:32325 biolink:ChemicalSubstance beta-ionone An ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. CAS:79-77-6|HMDB:HMDB0036565|KEGG:C12287|KNApSAcK:C00029816|MetaCyc:CPD-7204|PMID:12565197|PMID:12719936|PMID:18031901|PMID:22187222|PMID:23413580|Reaxys:1909545 phenio.json (3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-one|(E)-beta-Ionone|beta-E-Ionone|beta-Ionon|beta-Ionone|beta-ionone|trans-beta-Ionone http://purl.obolibrary.org/obo/CHEBI_32325 3_STAR
CHEBI:32347 biolink:ChemicalSubstance m-Chlorophenylbiguanide CAS:48144-44-1|KEGG:C13646|LINCS:LSM-2812 phenio.json m-Chlorophenylbiguanide|mCPBG http://purl.obolibrary.org/obo/CHEBI_32347 2_STAR
CHEBI:32354 biolink:ChemicalSubstance 4-hydroxybenzenesulfonic acid An arenesulfonic acid that is phenol substituted by a sulfo group at C-4. CAS:98-67-9|KEGG:C12849|KEGG:D01403|Reaxys:1869034 phenio.json 4-Sulfophenol|Hydroxybenzene-4-sulfonic acid|Phenolsulfonic acid|Sulfocarbolic acid|p-Hydroxybenzenesulfonic acid|p-Phenolsulfonic acid|p-Sulfophenol|p-hydroxybenzenesulfonic acid http://purl.obolibrary.org/obo/CHEBI_32354 3_STAR
CHEBI:32360 biolink:ChemicalSubstance icosanoate A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of icosanoic acid (arachidic acid). Gmelin:346191|MetaCyc:ARACHIDIC_ACID|PMID:17279692 phenio.json (20:0)|CH3-[CH2]18-COO(-)|CH3-[CH2]18-COO(-1)|arachidate|arachidinate|eicosanoate|eicosoate|icosanoate|n-eicosanoate http://purl.obolibrary.org/obo/CHEBI_32360 3_STAR
CHEBI:32361 biolink:ChemicalSubstance nonanoate A medium-chain fatty acid anion that is the conjugate base of nonanoic acid that in methyl ester form has significant nematicidal activity. Beilstein:3904165|Gmelin:329987 phenio.json 1-nonanoate|1-octanecarboxylate|CH3-[CH2]7-COO(-)|n-nonanoate|nonanoate|nonoate|nonylate|pelargate|pelargonate|pergonate http://purl.obolibrary.org/obo/CHEBI_32361 3_STAR
CHEBI:32362 biolink:ChemicalSubstance heptanoate A medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates. CAS:7563-37-3|Gmelin:327115|MetaCyc:CPD-7619|PMID:16141384|Reaxys:3903940 phenio.json (7:0)|1-hexanecarboxylate|CH3-[CH2]5-COO(-)|enanthate|enanthylate|heptanoate|heptanoic acid, ion(1-)|heptoate|heptylate|n-heptanoate|n-heptoate|n-heptylate|oenanthate|oenanthylate http://purl.obolibrary.org/obo/CHEBI_32362 3_STAR
CHEBI:32364 biolink:ChemicalSubstance 3-dehydroquinate A hydroxy monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of 3-dehydroquinic acid. KEGG:C00944|MetaCyc:DEHYDROQUINATE phenio.json 3-Dehydroquinate|3-dehydroquinate|5-Dehydroquinate|rel-(1R,3R,4S)-1,3,4-trihydroxy-5-oxocyclohexanecarboxylate http://purl.obolibrary.org/obo/CHEBI_32364 3_STAR
CHEBI:32365 biolink:ChemicalSubstance heptadecanoic acid A C17 saturated fatty acid and trace component of fats in ruminants. CAS:506-12-7|Gmelin:253195|HMDB:HMDB0002259|KNApSAcK:C00007426|LIPID_MAPS_instance:LMFA01010017|MetaCyc:CPD-7830|PMID:13269382|PMID:13400103|PMID:13403863|PMID:17439666|PMID:24708591|Reaxys:1781004|Wikipedia:Heptadecanoic_acid phenio.json 17:0|C17:0|CH3-[CH2]15-COOH|Margarinsaeure|heptadecanoic acid|heptadecoic acid|heptadecylic acid|margaric acid|margarinic acid|n-heptadecanoic acid|n-heptadecoic acid|n-heptadecylic acid http://purl.obolibrary.org/obo/CHEBI_32365 3_STAR
CHEBI:32366 biolink:ChemicalSubstance margarate A straight-chain saturated fatty acid anion that is the conjugate base of margaric acid, obtained by deprotonation of the carboxy group. Gmelin:386661|MetaCyc:CPD-7830 phenio.json (17:0)|CH3-[CH2]15-COO(-)|heptadecanoate|heptadecanoate anion|margarinate|margaroate|n-heptadecanoate|n-heptadecoate|n-heptadecylate http://purl.obolibrary.org/obo/CHEBI_32366 3_STAR
CHEBI:3237 biolink:ChemicalSubstance butein A chalcone that is (E)-chalcone bearing four additional hydroxy substituents at positions 2', 3, 4 and 4'. CAS:487-52-5|Chemspider:4444634|FooDB:FDB000082|KEGG:C08578|KNApSAcK:C00006941|LINCS:LSM-42896|LIPID_MAPS_instance:LMPK12120111|MetaCyc:BUTEIN|PDBeChem:BUN|PMID:12939617|PMID:19643530|PMID:20515942|PMID:20681544|PMID:20696233|PMID:20826149|PMID:21131551|PMID:21170936|PMID:21212525|PMID:21770460|PMID:21964506|PMID:22114764|PMID:22155143|PMID:22180353|PMID:22185775|PMID:22245810|PMID:26081470|PMID:29258953|PMID:30344763|PMID:31665136|PMID:32033283|PMID:32181410|PMID:32325749|PMID:32642916|PMID:32663368|PMID:33209079|PMID:33294263|PMID:33325610|PMID:34271434|PMID:34481015|Reaxys:2056928|Wikipedia:Butein phenio.json (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one|(2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one|(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one|(E)-2',3,4,4'-terahydroxychalcone|2',3,4,4'-Tetrahydroxychalcone|2',4',3,4-tetrahydroxychalcone|3,4,2',4'-Tetrahydroxychalcone|Butein http://purl.obolibrary.org/obo/CHEBI_3237 3_STAR
CHEBI:32372 biolink:ChemicalSubstance palmitoleate A hexadec-9-enoate that is the conjugate base of palmitoleic acid; major species at pH 7.3. Gmelin:1789543|Reaxys:6394065 phenio.json (16:1n7)|(9Z)-hexadec-9-enoate|(9Z)-hexadecenoate|(Z)-9-hexadecenoate|(Z)-hexadec-9-enoate|9-cis-hexadecenoate|cis-9-hexadecenoate|cis-Delta(9)-hexadecenoate|palmitolinoleate|zoomarate http://purl.obolibrary.org/obo/CHEBI_32372 3_STAR
CHEBI:32373 biolink:ChemicalSubstance 4-coumarate A coumarate that is the conjugate base of 4-coumaric acid. Gmelin:2565912|Reaxys:12142331 phenio.json 3-(4-hydroxyphenyl)acrylate|3-(4-hydroxyphenyl)prop-2-enoate|4-coumarate|4-hydroxycinnamate anion|p-coumarate http://purl.obolibrary.org/obo/CHEBI_32373 3_STAR
CHEBI:32374 biolink:ChemicalSubstance trans-4-coumaric acid The trans-isomer of 4-coumaric acid. CAS:501-98-4|CAS:7400-08-0|Gmelin:2245630|HMDB:HMDB0002035|KEGG:C00811|KNApSAcK:C00000152|KNApSAcK:C00000580|PDBeChem:HC4|PMID:1057163|PMID:12231735|PMID:22511179|Reaxys:2207383|Wikipedia:P-Coumaric_acid phenio.json (2E)-3-(4-hydroxyphenyl)acrylic acid|(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid|(E)-3-(4-hydroxyphenyl)-2-propenoic acid|(E)-p-coumaric acid|(E)-p-hydroxycinnamic acid|4'-HYDROXYCINNAMIC ACID|4-Hydroxycinnamic acid|naringeninic acid|p-Coumaric acid|trans-4-hydroxycinnamic acid|trans-p-Hydroxycinnamate|trans-p-coumaric acid|trans-p-coumarinic acid|trans-p-hydroxycinnamic acid http://purl.obolibrary.org/obo/CHEBI_32374 3_STAR
CHEBI:32379 biolink:ChemicalSubstance cis,cis-muconate A muconate that is the conjugate base of (2Z,4Z)-5-carboxypenta-2,4-dienoate. Reaxys:6476541|UM-BBD_compID:c0586 phenio.json (2Z,4Z)-hexa-2,4-dienedioate|cis,cis-muconate http://purl.obolibrary.org/obo/CHEBI_32379 3_STAR
CHEBI:32380 biolink:ChemicalSubstance cis-4-decenoic acid A decenoic acid having a cis- double bond at position 4. CAS:505-90-8|LIPID_MAPS_instance:LMFA01030199|PMID:11486898|Reaxys:1722691 phenio.json (4Z)-dec-4-enoic acid|(Z)-4-decenoic acid|10:1 (n-6)|4-decenoic acid|C10:1 (n-6)|Dec-4c-ensaeure|Z-4-decenoic acid|cis-Decen-4-saeure|cis-Delta(4)-decenoic acid|cis-obtusilic acid|dec-4c-enoic acid http://purl.obolibrary.org/obo/CHEBI_32380 3_STAR
CHEBI:32382 biolink:ChemicalSubstance (R)-mandelate A mandelate that is the conjugate base of (R)-mandelic acid. CAS:611-71-2|DrugBank:DB02280|Gmelin:328161|KEGG:C01983|MetaCyc:CPD-121|UM-BBD_compID:c0153 phenio.json (2R)-hydroxy(phenyl)acetate|(R)-2-Hydroxy-2-phenylacetate|(R)-Mandelate|(R)-mandelate http://purl.obolibrary.org/obo/CHEBI_32382 3_STAR
CHEBI:32383 biolink:ChemicalSubstance 6-hydroxyhexanoate A hydroxy fatty acid anion and the conjugate base of 6-hydroxyhexanoic acid, formed by deprotonation of the carboxylic acid group. Beilstein:3661830|CAS:1191-25-9|PMID:6630146|UM-BBD_compID:c0013 phenio.json 5-hydroxypentanecarboxylate|6-hydroxyhexanoate|6-hydroxyhexanoic acid anion http://purl.obolibrary.org/obo/CHEBI_32383 3_STAR
CHEBI:32386 biolink:ChemicalSubstance linoleoyl group phenio.json (9Z,12Z)-octadeca-9,12-dienoyl|Lin|linoleoyl|linoleoyl group http://purl.obolibrary.org/obo/CHEBI_32386 3_STAR
CHEBI:32387 biolink:ChemicalSubstance alpha-linolenate A linolenate that is the conjugate base of alpha-linolenic acid, arising from deprotonation of the carboxylic acid group. Gmelin:377245 phenio.json (9,12,15)-linolenate|(9Z,12Z,15Z)-octadeca-9,12,15-trienoate|(9Z,12Z,15Z)-octadecatrienoate|all-cis--9,12,15-octadecatrienoate|cis,cis,cis-9,12,15-octadecatrienoate|linolenate http://purl.obolibrary.org/obo/CHEBI_32387 3_STAR
CHEBI:32389 biolink:ChemicalSubstance all-cis-octadeca-6,9,12,15-tetraenoic acid An octadecatetraenoic acid having four double bonds located at positions 6, 9, 12 and 15 (the all-cis-isomer). It has been isolated from Lithospermum officinale and fish oils. CAS:20290-75-9|HMDB:HMDB0006547|KEGG:C16300|KNApSAcK:C00000405|LIPID_MAPS_instance:LMFA01030357|MetaCyc:CPD-12653|PMID:23932357|PMID:24553695|Patent:CA2827585|Patent:KR20130045846|Reaxys:1712973|Wikipedia:Stearidonic_acid phenio.json (6Z,9Z,12Z,15Z)-Octadecatetraenoic acid|(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoic acid|6,9,12,15-Octadecatetraenoic acid|SDA|stearidonic acid http://purl.obolibrary.org/obo/CHEBI_32389 3_STAR
CHEBI:32391 biolink:ChemicalSubstance gamma-linolenate A linolenate that is the conjugate base of gamma-linolenic acid, arising from deprotonation of the carboxylic acid group. MetaCyc:CPD-8117|PMID:15513825|PMID:16567086|PMID:17513402 phenio.json (6,9,12)-linolenate|(6Z,9Z,12Z)-octadeca-6,9,12-trienoate|(6Z,9Z,12Z)-octadecatrienoate|6-cis,9-cis,12-cis-octadecatrienoate|all-cis-6,9,12-octadecatrienoate|cis-Delta(6,9,12)-octadecatrienoate|gamolenate http://purl.obolibrary.org/obo/CHEBI_32391 3_STAR
CHEBI:32392 biolink:ChemicalSubstance (15Z)-tetracosenoate A tetracosenoate that is the conjugate base of nervonic acid, arising from deprotonation of the carboxylic acid group. Reaxys:6276747 phenio.json (15Z)-tetracos-15-enoate|(15Z)-tetracosenoate|(Z)-15-tetracosenoate|(Z)-tetracos-15-enoate|cis-15-tetracosenoate|cis-Delta(15)-tetracosenoate|nervonate http://purl.obolibrary.org/obo/CHEBI_32392 3_STAR
CHEBI:32393 biolink:ChemicalSubstance erucate A unsaturated fatty acid anion that is the conjugate base of erucic acid, formed by deprotonation of the carboxylic acid group. Gmelin:385960|MetaCyc:CPD-14292|Reaxys:6116536 phenio.json (13Z)-docos-13-enoate|(13Z)-docosenoate|(22:1n9)|(Z)-13-docosenoate|cis-Delta(13)-docosenoate|docos-13c-enoate http://purl.obolibrary.org/obo/CHEBI_32393 3_STAR
CHEBI:32395 biolink:ChemicalSubstance arachidonate A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid. Beilstein:5439048|Gmelin:419207|MetaCyc:ARACHIDONIC_ACID|PMID:18772128 phenio.json (20:4n6)|(5Z,8Z,11Z,14Z)-eicosatetraenoate|(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate|5Z,8Z,11Z,14Z-eicosatetraenoate http://purl.obolibrary.org/obo/CHEBI_32395 3_STAR
CHEBI:32396 biolink:ChemicalSubstance 6-aminohexanoate An amino-acid anion that is the conjugate base of 6-aminohexanoic acid. CAS:60-32-2|KEGG:C02378|MetaCyc:CPD-884|Reaxys:4373415|UM-BBD_compID:c0433 phenio.json 6-Aminohexanoate|6-amino-n-caproate http://purl.obolibrary.org/obo/CHEBI_32396 3_STAR
CHEBI:32398 biolink:ChemicalSubstance D-glyceric acid The D-enantiomer of glyceric acid. CAS:473-81-4|ECMDB:ECMDB04077|HMDB:HMDB0000139|KEGG:C00258|KNApSAcK:C00001185|MetaCyc:GLYCERATE|PDBeChem:DGY|PMID:17439666|PMID:18853153|PMID:19621222|PMID:21852749|PMID:22226201|PMID:22290646|Patent:JP2009153507|Patent:JP2009159826|Reaxys:1721418|YMDB:YMDB02299 phenio.json (2R)-2,3-dihydroxypropanoic acid|D-Glyceric acid|D-GroA|Glyceric acid|R-glyceric acid|alpha,beta-Hydroxypropionic acid http://purl.obolibrary.org/obo/CHEBI_32398 3_STAR
CHEBI:32401 biolink:ChemicalSubstance 15-crown-5 A saturated organic heteromonocyclic parent that is cyclopentadecane in which the carbon atoms at positions 1, 4, 7, 10 and 13 have been replaced by oxygen atoms to give a crown ether. CAS:33100-27-5|Chemspider:33416|Gmelin:3897|PDBeChem:EYO|PMID:11170547|PMID:11322550|PMID:11421684|PMID:11666878|PMID:11670619|PMID:11671170|PMID:11671346|PMID:15236559|PMID:16127498|PMID:16370007|PMID:16462949|PMID:16539458|PMID:18228552|PMID:18345599|PMID:19029702|PMID:19029703|PMID:20442946|PMID:20631425|PMID:20677796|PMID:21090626|PMID:21344110|PMID:21422612|PMID:21581166|PMID:22810908|PMID:23881475|PMID:24149339|PMID:24281270|PMID:24467294|PMID:24563561|PMID:24870359|PMID:29896395|PMID:29953704|PMID:30411741|PMID:32496214|Reaxys:1618144|Wikipedia:15-Crown-5 phenio.json 1,4,7,10,13-pentaoxacyclopentadecane|15-crown-5 ether|15C5|[15]crown-5 http://purl.obolibrary.org/obo/CHEBI_32401 3_STAR
CHEBI:32402 biolink:ChemicalSubstance catecholate(2-) A phenolate anion that is the conjugate base of catecholate(1-). Gmelin:325876|Reaxys:3904566 phenio.json benzene-1,2-diolate|cat|catecholate http://purl.obolibrary.org/obo/CHEBI_32402 3_STAR
CHEBI:3242 biolink:ChemicalSubstance butorphanol Levorphanol in which a hydrogen at position 14 of the morphinan skeleton is substituted by hydroxy and one of the hydrogens of the N-methyl group is substituted by cyclopropyl. A semi-synthetic opioid agonist-antagonist analgesic, it is used as its (S,S)-tartaric acid salt for relief or moderate to severe pain. Beilstein:8134188|CAS:42408-82-2|DrugBank:DB00611|Drug_Central:454|KEGG:C06863|KEGG:D03197|PMID:6114178|PMID:6166748|PMID:6767032|PMID:6796691|PMID:7192744|Patent:DE2243961|Patent:US3775414|Patent:US3819635|VSDB:1780|Wikipedia:Butorphanol phenio.json (-)-17-(cyclobutylmethyl)morphinan-3,14-diol|(-)-N-cyclobutylmethyl-3,14-dihydroxymorphinan|(-)-butorphanol|17-(cyclobutylmethyl)morphinan-3,14-diol|BUTORPHANOL|Butorphanol|butorfanol|butorphanol|butorphanolum http://purl.obolibrary.org/obo/CHEBI_3242 3_STAR
CHEBI:32425 biolink:ChemicalSubstance (11Z)-icos-11-enoic acid An icosenoic acid having a cis- double bond at position 11. HMDB:HMDB0002231|KEGG:C16526|KNApSAcK:C00035628|LIPID_MAPS_instance:LMFA01030085|PMID:11929276|PMID:14667942|PMID:16581239|PMID:34287699|PMID:37130451|Reaxys:1727313 phenio.json (11Z)-Eicosenoic acid|(11Z)-Icosenoic acid|(11Z)-icos-11-enoic acid|(Z)-Icosa-11-enoic acid|(Z)-eicos-11-enoic acid|(Z)-icos-11-enoic acid|11-Eicosenoic acid|11-Icosenoic acid|20:1|Eicosenoic acid|Z-Delta(11)-Eicosensaeure|cis-11-eicosenoic acid|cis-Delta(11)-eicosenoic acid|cis-gondoic acid|gondoic acid http://purl.obolibrary.org/obo/CHEBI_32425 3_STAR
CHEBI:32426 biolink:ChemicalSubstance gondoate A very long-chain fatty acid anion that is the conjugate base of gondoic acid, formed by deprotonation of the carboxylic acid group. Reaxys:4449786 phenio.json (11Z)-eicosenoate|(11Z)-icos-11-enoate|(Z)-eicos-11-enoate|11-(cis)-eiconsenoate http://purl.obolibrary.org/obo/CHEBI_32426 3_STAR
CHEBI:32431 biolink:ChemicalSubstance L-alaninate The L-enantiomer of alaninate. Beilstein:4126899|Gmelin:324350 phenio.json (2S)-2-aminopropanoate|L-alaninate|L-alanine anion http://purl.obolibrary.org/obo/CHEBI_32431 3_STAR
CHEBI:32432 biolink:ChemicalSubstance L-alaninium The L-enantiomer of alaninium. Gmelin:362664 phenio.json (1S)-1-carboxyethanaminium|L-alanine cation|L-alaninium http://purl.obolibrary.org/obo/CHEBI_32432 3_STAR
CHEBI:32435 biolink:ChemicalSubstance D-alaninate The D-enantiomer of alaninate. Beilstein:4781244|Gmelin:745914 phenio.json (2R)-2-aminopropanoate|D-alaninate|D-alanine anion http://purl.obolibrary.org/obo/CHEBI_32435 3_STAR
CHEBI:32436 biolink:ChemicalSubstance D-alaninium An alaninium that is the conjugate acid of D-alanine. phenio.json (1R)-1-carboxyethanaminium|D-alanine cation|D-alaninium http://purl.obolibrary.org/obo/CHEBI_32436 3_STAR
CHEBI:32439 biolink:ChemicalSubstance alaninate An alpha-amino-acid anion that is the conjugate base of alanine, arising from deprotonation of the carboxy group. Beilstein:3903719|Gmelin:101040 phenio.json 2-aminopropanoate|alaninate|alanine anion http://purl.obolibrary.org/obo/CHEBI_32439 3_STAR
CHEBI:32440 biolink:ChemicalSubstance alaninium An alpha-amino-acid cation that is the conjugate acid of alanine. Gmelin:362663 phenio.json 1-carboxyethanaminium|alanine cation|alaninium http://purl.obolibrary.org/obo/CHEBI_32440 3_STAR
CHEBI:32442 biolink:ChemicalSubstance L-cysteinate(1-) The L-enantiomer of cysteinate(1-). Gmelin:325857|Reaxys:4128886 phenio.json (2R)-2-amino-3-mercaptopropanoate|(2R)-2-amino-3-sulfanylpropanoate|L-cysteinate(1-)|L-cysteine anion|L-cysteine monoanion|hydrogen L-cysteinate http://purl.obolibrary.org/obo/CHEBI_32442 3_STAR
CHEBI:32443 biolink:ChemicalSubstance L-cysteinate(2-) The L-enantiomer of cysteinate(2-). Gmelin:325856|Reaxys:5921923 phenio.json (2R)-2-amino-3-sulfidopropanoate|L-cysteinate|L-cysteinate(2-)|L-cysteine dianion http://purl.obolibrary.org/obo/CHEBI_32443 3_STAR
CHEBI:32445 biolink:ChemicalSubstance L-cysteinium The L-enantiomer of cysteinium. Gmelin:325860 phenio.json (1R)-1-carboxy-2-mercaptoethanaminium|(1R)-1-carboxy-2-sulfanylethanaminium|L-cysteine cation|L-cysteinium|L-cysteinium(1+) http://purl.obolibrary.org/obo/CHEBI_32445 3_STAR
CHEBI:32446 biolink:ChemicalSubstance all-trans-neoxanthin A neoxanthin in which all of the double bonds have trans geometry. Beilstein:101197|CAS:14660-91-4|COMe:MOL000106|HMDB:HMDB0003020|KEGG:C08606|KEGG:C13431|KNApSAcK:C00003780|MetaCyc:CPD1F-135|PMID:11029576|PMID:13706623|PMID:15333710|PMID:22502907|PMID:8610051|Reaxys:101197 phenio.json (3S,3'S,5R,5'R,6R,6'S,8R)-6,7-didehydro-5,5',6,6'-tetrahydro-5',6'-epoxy-beta,beta-carotene-3,3',5-triol|(3S,5R,6R,3'S,5'R,6'S)-6,7-didehydro-5',6'-epoxy-5,6,5',6'-tetrahydro-beta,beta-carotene-3,5,3'-triol|Neoxanthin|all-trans-Neoxanthin|all-trans-neoxanthin http://purl.obolibrary.org/obo/CHEBI_32446 3_STAR
CHEBI:32447 biolink:ChemicalSubstance L-cysteinyl group The cysteinyl group with L stereochemistry at C-2. PMID:29069089 phenio.json (2R)-2-amino-3-sulfanylpropanoyl|Cys-|L-cysteinyl http://purl.obolibrary.org/obo/CHEBI_32447 3_STAR
CHEBI:32449 biolink:ChemicalSubstance D-cysteinate(1-) The D-enantiomer of cysteinate(1-). Gmelin:1006156 phenio.json (2S)-2-amino-3-mercaptopropanoate|(2S)-2-amino-3-sulfanylpropanoate|D-cysteinate(1-)|D-cysteine monoanion|hydrogen D-cysteinate http://purl.obolibrary.org/obo/CHEBI_32449 3_STAR
CHEBI:32450 biolink:ChemicalSubstance D-cysteinate(2-) The D-enantiomer of cysteinate(2-). Gmelin:1342792 phenio.json (2S)-2-amino-3-sulfidopropanoate|D-cysteinate|D-cysteinate(2-)|D-cysteine dianion http://purl.obolibrary.org/obo/CHEBI_32450 3_STAR
CHEBI:32451 biolink:ChemicalSubstance D-cysteinium The D-enantiomer of cysteinium. Gmelin:363237 phenio.json (1S)-1-carboxy-2-mercaptoethanaminium|(1S)-1-carboxy-2-sulfanylethanaminium|D-cysteine cation|D-cysteinium http://purl.obolibrary.org/obo/CHEBI_32451 3_STAR
CHEBI:32452 biolink:ChemicalSubstance D-cysteinyl group phenio.json (2S)-2-amino-3-sulfanylpropanoyl|D-Cys-|D-cysteinyl http://purl.obolibrary.org/obo/CHEBI_32452 3_STAR
CHEBI:32456 biolink:ChemicalSubstance cysteinate(1-) A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group. Gmelin:363235|Reaxys:4128885 phenio.json 2-amino-3-mercaptopropanoate|2-amino-3-sulfanylpropanoate|cys(-)|cysteinate(1-)|cysteine monoanion|hydrogen cysteinate http://purl.obolibrary.org/obo/CHEBI_32456 3_STAR
CHEBI:32457 biolink:ChemicalSubstance cysteinate(2-) Gmelin:49990 phenio.json 2-amino-3-sulfidopropanoate|cysteinate|cysteinate(2-)|cysteine dianion http://purl.obolibrary.org/obo/CHEBI_32457 3_STAR
CHEBI:32458 biolink:ChemicalSubstance cysteinium Gmelin:325859 phenio.json 1-carboxy-2-mercaptoethanaminium|1-carboxy-2-sulfanylethanaminium|H2cys(+)|cysteine cation|cysteinium http://purl.obolibrary.org/obo/CHEBI_32458 3_STAR
CHEBI:32460 biolink:ChemicalSubstance cysteine residue phenio.json cysteine acid residue|cysteine residue|cysteinyl http://purl.obolibrary.org/obo/CHEBI_32460 3_STAR
CHEBI:32461 biolink:ChemicalSubstance cysteinate residue phenio.json cysteinate residue http://purl.obolibrary.org/obo/CHEBI_32461 3_STAR
CHEBI:32462 biolink:ChemicalSubstance L-alpha-aspartyl group phenio.json (2S)-2-amino-3-carboxypropanoyl|Asp-|L-alpha-aspartyl|L-aspart-1-yl http://purl.obolibrary.org/obo/CHEBI_32462 3_STAR
CHEBI:32466 biolink:ChemicalSubstance D-alpha-aspartyl group phenio.json (2R)-2-amino-3-carboxypropanoyl|D-Asp-|D-alpha-aspartyl|D-aspart-1-yl http://purl.obolibrary.org/obo/CHEBI_32466 3_STAR
CHEBI:32470 biolink:ChemicalSubstance aspartic acid residue phenio.json aspartic acid residue|aspartic residue http://purl.obolibrary.org/obo/CHEBI_32470 3_STAR
CHEBI:32471 biolink:ChemicalSubstance aspartate residue An alpha-amino-acid residue anion resulting from the deprotonation of the carboxy group of an aspartic acid residue. phenio.json aspartate residue http://purl.obolibrary.org/obo/CHEBI_32471 3_STAR
CHEBI:32474 biolink:ChemicalSubstance L-gamma-glutamyl group phenio.json (4S)-4-amino-4-carboxybutanoyl|5-L-glutamyl|L-gamma-glutamyl|L-glutam-5-yl http://purl.obolibrary.org/obo/CHEBI_32474 3_STAR
CHEBI:32479 biolink:ChemicalSubstance D-alpha-glutamyl group phenio.json (2R)-2-amino-4-carboxybutanoyl|D-Glu-|D-alpha-glutamyl|D-glutam-1-yl http://purl.obolibrary.org/obo/CHEBI_32479 3_STAR
CHEBI:32480 biolink:ChemicalSubstance D-gamma-glutamyl group phenio.json (4R)-4-amino-4-carboxybutanoyl|D-gamma-glutamyl|D-glutam-5-yl http://purl.obolibrary.org/obo/CHEBI_32480 3_STAR
CHEBI:32482 biolink:ChemicalSubstance D-glutamo group phenio.json -D-Glu|D-glutamo|[(1R)-1,3-dicarboxypropyl]amino http://purl.obolibrary.org/obo/CHEBI_32482 3_STAR
CHEBI:32483 biolink:ChemicalSubstance glutamic acid residue phenio.json glutamic acid residue|glutamic residue|glutamyl http://purl.obolibrary.org/obo/CHEBI_32483 3_STAR
CHEBI:32484 biolink:ChemicalSubstance glutamate residue phenio.json glutamate residue http://purl.obolibrary.org/obo/CHEBI_32484 3_STAR
CHEBI:32486 biolink:ChemicalSubstance L-phenylalaninate An optically active form of phenylalaninate having L-configuration. Gmelin:329084|PMID:21956539|Reaxys:4136718 phenio.json (2S)-2-amino-3-phenylpropanoate|L-phenylalaninate|L-phenylalanine anion http://purl.obolibrary.org/obo/CHEBI_32486 3_STAR
CHEBI:32487 biolink:ChemicalSubstance L-phenylalaninium An optically active form of phenylalaninium having L-configuration. PMID:21956539 phenio.json (1S)-1-carboxy-2-phenylethanaminium|L-phenylalanine cation|L-phenylalaninium http://purl.obolibrary.org/obo/CHEBI_32487 3_STAR
CHEBI:324935 biolink:ChemicalSubstance fumagillol A sesquiterpenoid with antimicrobial properties. Beilstein:5340842|CAS:108102-51-8|PMID:11506622|PMID:12520508 phenio.json (3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-en-1-yl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol|fumagillol http://purl.obolibrary.org/obo/CHEBI_324935 3_STAR
CHEBI:32494 biolink:ChemicalSubstance D-phenylalaninate The D-enantiomer of phenylalaninate. Beilstein:5740552|Gmelin:746993 phenio.json (2R)-2-amino-3-phenylpropanoate|D-phenylalaninate|D-phenylalanine anion http://purl.obolibrary.org/obo/CHEBI_32494 3_STAR
CHEBI:32495 biolink:ChemicalSubstance D-phenylalaninium An optically active form of phenylalaninium having D-configuration. phenio.json (1R)-1-carboxy-2-phenylethanaminium|D-phenylalanine cation|D-phenylalaninium http://purl.obolibrary.org/obo/CHEBI_32495 3_STAR
CHEBI:32496 biolink:ChemicalSubstance L-phenylalanyl group phenio.json (2S)-2-amino-3-phenylpropanoyl|L-phenylalanyl|Phe- http://purl.obolibrary.org/obo/CHEBI_32496 3_STAR
CHEBI:32499 biolink:ChemicalSubstance amineptine A carbocyclic fatty acid that is 5-aminoheptanoic acid in which one of the hydrogens attached to the nitrogen is replaced by a 10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl group. A tricyclic antidepressant, it was never approved in the US and was withdrawn from the French market in 1999 due to concerns over abuse, dependence and severe acne. CAS:57574-09-1|DrugBank:DB04836|Drug_Central:161|KEGG:D07335|PMID:2131927|PMID:2141246|PMID:2698268|PMID:7609861|PMID:9347390|Patent:DE2011806|Patent:US3758528|Reaxys:2170218|Wikipedia:Amineptine phenio.json 7-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylamino)heptanoic acid|Amineptin|Survector|amineptine|amineptino|amineptinum http://purl.obolibrary.org/obo/CHEBI_32499 3_STAR
CHEBI:32500 biolink:ChemicalSubstance D-phenylalanyl group phenio.json (2R)-2-amino-3-phenylpropanoyl|D-Phe-|D-phenylalanyl http://purl.obolibrary.org/obo/CHEBI_32500 3_STAR
CHEBI:32504 biolink:ChemicalSubstance phenylalaninate An aromatic amino-acid anion that is the conjugate base of phenylalanine, arising from deprotonation of the carboxy group. Gmelin:329083 phenio.json 2-amino-3-phenylpropanoate|phenylalaninate|phenylalanine anion http://purl.obolibrary.org/obo/CHEBI_32504 3_STAR
CHEBI:32505 biolink:ChemicalSubstance phenylalaninium An alpha-amino-acid cation that is the conjugate acid of phenylalanine, arising from protonation of the amino group. phenio.json 1-carboxy-2-phenylethanaminium|phenylalanine cation|phenylalaninium http://purl.obolibrary.org/obo/CHEBI_32505 3_STAR
CHEBI:32506 biolink:ChemicalSubstance 4,4'-diaminodiphenylmethane An aromatic amine that is diphenylmethane substituted at the 4-position of each benzene ring by an amino group. CAS:101-77-9|HMDB:HMDB0041808|KEGG:C14288|PMID:17061110|PMID:17482318|PMID:18844695|PMID:22393703|PMID:2607764|PMID:7265110|PMID:9022650|PPDB:1640|Reaxys:474706|Wikipedia:4,4'-Methylenedianiline phenio.json 4,4'-Diaminodiphenylmethane|4,4'-Diphenylmethanediamine|4,4'-Methylenebis(benzeneamine)|4,4'-methylenedianiline|4-(4-aminobenzyl)aniline|Bis(4-aminophenyl)methane|Bis(p-aminophenyl)methane|DADPM|DAPM|DDM|Dianilinomethane|alpha-(p-aminophenyl)-p-toluidine|bis-p-aminophenylmethane|di-(4-aminophenyl)methane|di-(p-aminophenyl)methane|p,p'-Diaminodiphenylmethane|p,p'-Methylenedianiline http://purl.obolibrary.org/obo/CHEBI_32506 3_STAR
CHEBI:32507 biolink:ChemicalSubstance glycinium An alpha-amino-acid cation that is the conjugate acid of glycine, arising from protonation of the amino. Gmelin:323509 phenio.json H2gly(+)|NH3(+)-CH2-COOH|carboxymethanaminium|glycine cation|glycinium http://purl.obolibrary.org/obo/CHEBI_32507 3_STAR
CHEBI:32508 biolink:ChemicalSubstance glycinate An alpha-amino-acid anion that is the conjugate base of glycine, arising from deprotonation of the carboxy group. Gmelin:81890|Reaxys:1852023|UM-BBD_compID:c0559 phenio.json H2N-CH2-COO(-)|aminoacetate|gly(-)|glycinate|glycine anion http://purl.obolibrary.org/obo/CHEBI_32508 3_STAR
CHEBI:32509 biolink:ChemicalSubstance pirinixic acid CAS:50892-23-4|KEGG:C15617|LINCS:LSM-2015|Wikipedia:Pirinixic_Acid phenio.json ((4-Chloro-6-((2,3-dimethylphenyl)amino)-2-pyrimidinyl)thio)acetic acid|(4-Chloro-6-(2,3-xylidino)-2-pyrimidinylthio)acetic acid|({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid|WY-14,643 http://purl.obolibrary.org/obo/CHEBI_32509 3_STAR
CHEBI:32510 biolink:ChemicalSubstance L-histidinate(1-) The L-enantiomer of histidinate(1-), Gmelin:328379|Reaxys:5434027 phenio.json (2S)-2-amino-3-(1H-imidazol-4-yl)propanoate|L-histidinate(1-)|L-histidine anion|L-histidine monoanion|hydrogen L-histidinate http://purl.obolibrary.org/obo/CHEBI_32510 3_STAR
CHEBI:32511 biolink:ChemicalSubstance L-histidinate(2-) The L-enantiomer of histidinate(2-). Gmelin:364419|Reaxys:5436298 phenio.json (2S)-2-amino-3-imidazol-1-id-4-ylpropanoate|L-histidinate|L-histidinate(2-)|L-histidine dianion http://purl.obolibrary.org/obo/CHEBI_32511 3_STAR
CHEBI:32512 biolink:ChemicalSubstance L-histidinium(2+) The L-enantiomer of histidinium(2+). Gmelin:1151903 phenio.json 4-[(2S)-2-ammonio-2-carboxyethyl]-1H-imidazol-3-ium|L-histidine dication|L-histidinediium|L-histidinium(2+) http://purl.obolibrary.org/obo/CHEBI_32512 3_STAR
CHEBI:32513 biolink:ChemicalSubstance L-histidinium(1+) The L-enantiomer of histidinium(1+). Gmelin:1245285 phenio.json (2S)-2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate|L-histidine monocation|L-histidinium|L-histidinium(1+) http://purl.obolibrary.org/obo/CHEBI_32513 3_STAR
CHEBI:32523 biolink:ChemicalSubstance D-histidinate(1-) The D-enantiomer of histidinate(1-). Beilstein:7251557|Gmelin:774476 phenio.json (2R)-2-amino-3-(1H-imidazol-4-yl)propanoate|D-histidinate(1-)|D-histidine monoanion|hydrogen D-histidinate http://purl.obolibrary.org/obo/CHEBI_32523 3_STAR
CHEBI:32524 biolink:ChemicalSubstance D-histidinate(2-) The D-enantiomer of histidinate(2-). phenio.json (2R)-2-amino-3-imidazol-1-id-4-ylpropanoate|D-histidinate(2-)|D-histidine dianion http://purl.obolibrary.org/obo/CHEBI_32524 3_STAR
CHEBI:32526 biolink:ChemicalSubstance D-histidinium(1+) The D-enantiomer of histidinium(1+). Gmelin:279474 phenio.json (2R)-2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate|D-histidine monocation|D-histidinium|D-histidinium(1+) http://purl.obolibrary.org/obo/CHEBI_32526 3_STAR
CHEBI:32527 biolink:ChemicalSubstance D-histidinium(2+) The D-enantiomer of histidinium(2+). phenio.json 4-[(2R)-2-ammonio-2-carboxyethyl]-1H-imidazol-3-ium|D-histidine dication|D-histidinediium|D-histidinium(2+) http://purl.obolibrary.org/obo/CHEBI_32527 3_STAR
CHEBI:32529 biolink:ChemicalSubstance histidinate(1-) Beilstein:3959092|Gmelin:364417 phenio.json 2-amino-3-(1H-imidazol-4-yl)propanoate|histidinate(1-)|histidine anion|hydrogen histidinate http://purl.obolibrary.org/obo/CHEBI_32529 3_STAR
CHEBI:32530 biolink:ChemicalSubstance histidinate(2-) phenio.json 2-amino-3-imidazol-1-id-4-ylpropanoate|histidinate|histidinate(2-)|histidine dianion http://purl.obolibrary.org/obo/CHEBI_32530 3_STAR
CHEBI:32531 biolink:ChemicalSubstance histidinium(1+) phenio.json 2-ammonio-3-(1H-imidazol-3-ium-4-yl)propanoate|histidine monocation|histidinium|histidinium(1+) http://purl.obolibrary.org/obo/CHEBI_32531 3_STAR
CHEBI:32532 biolink:ChemicalSubstance histidinium(2+) Gmelin:1151904 phenio.json 4-(2-ammonio-2-carboxyethyl)-1H-imidazol-3-ium|histidine dication|histidinediium|histidinium(2+) http://purl.obolibrary.org/obo/CHEBI_32532 3_STAR
CHEBI:32535 biolink:ChemicalSubstance histidine residue phenio.json histidine base residue|histidine residue|histidyl http://purl.obolibrary.org/obo/CHEBI_32535 3_STAR
CHEBI:32536 biolink:ChemicalSubstance histidinium residue phenio.json histidinium residue http://purl.obolibrary.org/obo/CHEBI_32536 3_STAR
CHEBI:32538 biolink:ChemicalSubstance bacillosamine phenio.json 2,4-diamino-2,4,6-trideoxy-D-glucose http://purl.obolibrary.org/obo/CHEBI_32538 3_STAR
CHEBI:32544 biolink:ChemicalSubstance nicotinate A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; major species at pH 7.3. Gmelin:327384|KEGG:C00253|MetaCyc:NIACINE|PMID:17190852|PMID:21742010|PMID:21953179|Reaxys:3539722 phenio.json 3-pyridinecarboxylate|nicotinate|pyridine-3-carboxylate http://purl.obolibrary.org/obo/CHEBI_32544 3_STAR
CHEBI:32550 biolink:ChemicalSubstance L-lysinate An optically active form of lysinate having L-configuration. Gmelin:327969|Reaxys:4383108 phenio.json (2S)-2,6-diaminohexanoate|L-lysinate|L-lysinate(1-)|L-lysine anion http://purl.obolibrary.org/obo/CHEBI_32550 3_STAR
CHEBI:32551 biolink:ChemicalSubstance L-lysinium(1+) An optically active form of lysinium having L-configuration. Gmelin:1149956|MetaCyc:LYS phenio.json (2S)-2,6-diammoniohexanoate|L-lysine|L-lysine monocation|L-lysinium|L-lysinium(1+) http://purl.obolibrary.org/obo/CHEBI_32551 3_STAR
CHEBI:32552 biolink:ChemicalSubstance L-lysinium(2+) The L-enantiomer of lysinium(2+). Gmelin:1068715 phenio.json (1S)-1-carboxypentane-1,5-diaminium|L-lysine dication|L-lysinediium|L-lysinium(2+) http://purl.obolibrary.org/obo/CHEBI_32552 3_STAR
CHEBI:32556 biolink:ChemicalSubstance D-lysinate An optically active form of lysinate having D-configuration. Gmelin:1484324 phenio.json (2R)-2,6-diaminohexanoate|D-lysinate|D-lysinate(1-)|D-lysine anion http://purl.obolibrary.org/obo/CHEBI_32556 3_STAR
CHEBI:32557 biolink:ChemicalSubstance D-lysinium(1+) An optically active form of lysinium having D-configuration. phenio.json (2R)-2,6-diammoniohexanoate|D-lysine|D-lysine monocation|D-lysinium|D-lysinium(1+) http://purl.obolibrary.org/obo/CHEBI_32557 3_STAR
CHEBI:32558 biolink:ChemicalSubstance D-lysinium(2+) The D-enantiomer of lysinium(2+). phenio.json (1R)-1-carboxypentane-1,5-diaminium|D-lysine dication|D-lysinediium|D-lysinium(2+) http://purl.obolibrary.org/obo/CHEBI_32558 3_STAR
CHEBI:32563 biolink:ChemicalSubstance lysinate An alpha-amino-acid anion that is the conjugate base of lysine, arising from deprotonation of the carboxy group. Gmelin:815095 phenio.json 2,6-diaminohexanoate|lys(-)|lysinate|lysinate(1-)|lysine anion http://purl.obolibrary.org/obo/CHEBI_32563 3_STAR
CHEBI:32564 biolink:ChemicalSubstance lysinium(1+) An alpha-amino-acid cation that is the conjugate acid of lysine, having two cationic amino groups and an anionic carboxy group. phenio.json 2,6-diammoniohexanoate|lysine monocation|lysinium|lysinium(1+) http://purl.obolibrary.org/obo/CHEBI_32564 3_STAR
CHEBI:32565 biolink:ChemicalSubstance lysinium(2+) An alpha-amino-acid cation obtained by protonation of both amino groups of lysine. phenio.json 1-carboxypentane-1,5-diaminium|lysine dication|lysinediium|lysinium(2+) http://purl.obolibrary.org/obo/CHEBI_32565 3_STAR
CHEBI:32568 biolink:ChemicalSubstance lysine residue phenio.json lysine base residue|lysine residue|lysyl http://purl.obolibrary.org/obo/CHEBI_32568 3_STAR
CHEBI:32571 biolink:ChemicalSubstance perosamine Beilstein:5729806|CAS:31348-80-8 phenio.json 4-Amino-4,6-dideoxy-D-mannose|4-amino-4,6-dideoxy-D-mannose|Perosamine http://purl.obolibrary.org/obo/CHEBI_32571 3_STAR
CHEBI:32579 biolink:ChemicalSubstance lysinium residue phenio.json lysinium residue http://purl.obolibrary.org/obo/CHEBI_32579 3_STAR
CHEBI:3258 biolink:ChemicalSubstance CB3717 KEGG:C11737|PDBeChem:CB3 phenio.json CB3717 http://purl.obolibrary.org/obo/CHEBI_3258 2_STAR
CHEBI:32585 biolink:ChemicalSubstance 4-hydroxynon-2-enal An enal consisting of non-2-ene having an oxo group at the 1-position and a hydroxy group at the 4-position. CAS:29343-52-0|LINCS:LSM-4344|Wikipedia:4-Hydroxynonenal phenio.json 4-HNE|4-Hydroxy-2,3-nonenal|4-Hydroxy-2-nonenal|4-Hydroxynonenal|4-hydroxynon-2-enal|HNE http://purl.obolibrary.org/obo/CHEBI_32585 3_STAR
CHEBI:32587 biolink:ChemicalSubstance 2-hydroxybenzoyl-CoA A hydroxybenzoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxybenzoic acid. PMID:19757094|Reaxys:20087216 phenio.json 2-hydroxybenzoyl-coenzyme A|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|o-hydroxybenzoyl-CoA|o-hydroxybenzoyl-coenzyme A|salicoyl-CoA|salicoyl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_32587 3_STAR
CHEBI:32588 biolink:ChemicalSubstance potassium chloride A metal chloride salt with a K(+) counterion. CAS:7447-40-7|DrugBank:DB00761|KEGG:D02060|MetaCyc:KCL|MolBase:881|Reaxys:3534978|Wikipedia:Potassium_Chloride phenio.json KCl|Kaliumchlorid|Kaon-Cl 10|Klor-con|Klotrix|Monopotassium chloride|[KCl]|muriate of potash|potassium chloride|sylvite http://purl.obolibrary.org/obo/CHEBI_32588 3_STAR
CHEBI:3259 biolink:ChemicalSubstance CCCP A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death. Beilstein:1842102|CAS:555-60-2|Chemspider:2504|KEGG:C11164|LINCS:LSM-2341|PMID:19442682|PMID:25557480|PMID:26208452|PMID:26351918|PMID:29241732|PMID:29277693|PMID:29734380|PMID:30123191|PMID:31346323|PMID:31956228|PMID:32936131|PMID:33096791|PMID:33790590|PMID:33837631|Wikipedia:Carbonyl_cyanide_m-chlorophenyl_hydrazone phenio.json (3-chlorophenyl)hydrazonomalononitrile|CCCP|Carbonyl cyanide m-chlorophenyl hydrazone|N'-(3-chlorophenyl)carbonohydrazonoyl dicyanide|[(3-chlorophenyl)hydrazono]malononitrile|[(3-chlorophenyl)hydrazono]propanedinitrile|carbonylcyanide-3-chlorophenylhydrazone http://purl.obolibrary.org/obo/CHEBI_3259 3_STAR
CHEBI:32594 biolink:ChemicalSubstance barium atom WebElements:Ba phenio.json 56Ba|Ba|Barium|bario|barium|baryum http://purl.obolibrary.org/obo/CHEBI_32594 3_STAR
CHEBI:32599 biolink:ChemicalSubstance magnesium sulfate A magnesium salt having sulfate as the counterion. CAS:7487-88-9|DrugBank:DB00653|PMID:10723972|PMID:11251702|PMID:15357561|PMID:19805935|PMID:31092073|PMID:31412352|PMID:32063925|PMID:32256123|PMID:8991630|Reaxys:4208125 phenio.json Magnesium sulfate (1:1)|Magnesiumsulfat|MgSO4|magnesium sulfate|magnesium sulfate anhydrous|magnesium sulphate|magnesium(II) sulfate|sulfuric acid magnesium salt|sulphate of magnesia http://purl.obolibrary.org/obo/CHEBI_32599 3_STAR
CHEBI:32600 biolink:ChemicalSubstance tetracene An acene that consists of four ortho-fused benzene rings in a rectilinear arrangement. CAS:92-24-0|Gmelin:306993|PMID:11493061|PMID:24655187|Reaxys:1909299|Wikipedia:Tetracene phenio.json 2,3-benzanthracene|benz[b]anthracene|naphthacene|tetracene http://purl.obolibrary.org/obo/CHEBI_32600 3_STAR
CHEBI:32604 biolink:ChemicalSubstance L-isoleucinate The L-enantiomer of isoleucinate. Gmelin:1064207|Reaxys:4660432 phenio.json (2S,3S)-2-amino-3-methylpentanoate|L-isoleucinate|L-isoleucine anion http://purl.obolibrary.org/obo/CHEBI_32604 3_STAR
CHEBI:32605 biolink:ChemicalSubstance L-isoleucinium The L-enantiomer of isoleucinium. phenio.json (1S,2S)-1-carboxy-2-methylbutan-1-aminium|L-isoleucine cation|L-isoleucinium http://purl.obolibrary.org/obo/CHEBI_32605 3_STAR
CHEBI:32608 biolink:ChemicalSubstance D-isoleucinate The D-enantiomer of isoleucinate. phenio.json (2R,3R)-2-amino-3-methylpentanoate|D-isoleucinate|D-isoleucine anion http://purl.obolibrary.org/obo/CHEBI_32608 3_STAR
CHEBI:32609 biolink:ChemicalSubstance D-isoleucinium The D-enantiomer of isoleucinium. phenio.json (1R,2R)-1-carboxy-2-methylbutan-1-aminium|D-isoleucine cation|D-isoleucinium http://purl.obolibrary.org/obo/CHEBI_32609 3_STAR
CHEBI:32612 biolink:ChemicalSubstance isoleucinate Gmelin:101585 phenio.json ile(-)|isoleucinate|isoleucine anion|rel-(2R,3R)-2-amino-3-methylpentanoate http://purl.obolibrary.org/obo/CHEBI_32612 3_STAR
CHEBI:32613 biolink:ChemicalSubstance isoleucinium Gmelin:1651827 phenio.json H2ile(+)|isoleucine cation|isoleucinium|rel-(1R,2R)-1-carboxy-2-methylbutan-1-aminium http://purl.obolibrary.org/obo/CHEBI_32613 3_STAR
CHEBI:32619 biolink:ChemicalSubstance L-leucinate The L-enantiomer of leucinate. Beilstein:3537983|Gmelin:326784 phenio.json (2S)-2-amino-4-methylpentanoate|L-leucinate|L-leucine anion http://purl.obolibrary.org/obo/CHEBI_32619 3_STAR
CHEBI:32620 biolink:ChemicalSubstance L-leucinium The L-enantiomer of leucinium. phenio.json (1S)-1-carboxy-3-methylbutan-1-aminium|L-leucine cation|L-leucinium http://purl.obolibrary.org/obo/CHEBI_32620 3_STAR
CHEBI:32623 biolink:ChemicalSubstance D-leucinate The D-enantiomer of leucinate. Gmelin:533394 phenio.json (2R)-2-amino-4-methylpentanoate|D-leucinate|D-leucine anion http://purl.obolibrary.org/obo/CHEBI_32623 3_STAR
CHEBI:32624 biolink:ChemicalSubstance D-leucinium The D-enantiomer of leucinium. Gmelin:363610 phenio.json (1R)-1-carboxy-3-methylbutan-1-aminium|D-leucine cation|D-leucinium http://purl.obolibrary.org/obo/CHEBI_32624 3_STAR
CHEBI:326268 biolink:ChemicalSubstance 1,4-butanediammonium An alkane-alpha,omega-diammonium(2+) that is the dication of putrescine (1,4-butanediamine) arising from protonation of both primary amino groups; major species at pH 7.3. Gmelin:323413|MetaCyc:PUTRESCINE phenio.json butane-1,4-bis(aminium)|butane-1,4-diaminium|putrescine|putrescinium dication|putrescinium(2+) http://purl.obolibrary.org/obo/CHEBI_326268 3_STAR
CHEBI:32627 biolink:ChemicalSubstance leucinate An alpha-amino-acid anion that is the conjugate base of leucine, arising from deprotonation of the carboxy group. Reaxys:5245805 phenio.json 2-amino-4-methylpentanoate|leu(-)|leucinate|leucine anion http://purl.obolibrary.org/obo/CHEBI_32627 3_STAR
CHEBI:32628 biolink:ChemicalSubstance leucinium An alpha-amino-acid cation that is the conjugate acid of leucine, arising from protonation of the amino group. Gmelin:1651836 phenio.json 1-carboxy-3-methylbutan-1-aminium|H2leu(+)|leucine cation|leucinium http://purl.obolibrary.org/obo/CHEBI_32628 3_STAR
CHEBI:32631 biolink:ChemicalSubstance L-methioninate The L-enantiomer of methioninate. Gmelin:326566|Reaxys:4740675 phenio.json (2S)-2-amino-4-(methylsulfanyl)butanoate|L-methioninate|L-methionine anion http://purl.obolibrary.org/obo/CHEBI_32631 3_STAR
CHEBI:32632 biolink:ChemicalSubstance L-methioninium The L-enantiomer of methioninium. Gmelin:1568767 phenio.json (1S)-1-carboxy-3-(methylsulfanyl)propan-1-aminium|L-methionine cation|L-methioninium http://purl.obolibrary.org/obo/CHEBI_32632 3_STAR
CHEBI:32635 biolink:ChemicalSubstance paracetamol sulfate An aryl sulfate that is paracetamol in which the hydroxy group has been replaced by a sulfooxy group. Beilstein:6457132|CAS:10066-90-7|PMID:12831506|PMID:24401842|Reaxys:3331457 phenio.json 4-acetamidophenyl hydrogen sulfate|4-acetaminophen sulfate|N-(4-(sulfooxy)phenyl)acetamide|N-acetyl-4-aminophenol sulfate|acetaminophen sulfate|acetaminophen sulfate ester http://purl.obolibrary.org/obo/CHEBI_32635 3_STAR
CHEBI:32636 biolink:ChemicalSubstance acetaminophen O-beta-D-glucosiduronic acid A beta-D-glucosiduronic acid that is the O-glucuronide of paracetamol (acetaminophen). CAS:16110-10-4|HMDB:HMDB0010316|PMID:22770225|Reaxys:46644 phenio.json 4-acetamidophenyl beta-D-glucopyranosiduronic acid|Acetaminophen glucuronide|Paracetamol glucuronide http://purl.obolibrary.org/obo/CHEBI_32636 3_STAR
CHEBI:32637 biolink:ChemicalSubstance D-methioninate The D-enantiomer of methioninate. Gmelin:720123 phenio.json (2R)-2-amino-4-(methylsulfanyl)butanoate|D-methioninate|D-methionine anion http://purl.obolibrary.org/obo/CHEBI_32637 3_STAR
CHEBI:32638 biolink:ChemicalSubstance D-methioninium The D-enantiomer of methioninium. phenio.json (1R)-1-carboxy-3-(methylsulfanyl)propan-1-aminium|D-methionine cation|D-methioninium http://purl.obolibrary.org/obo/CHEBI_32638 3_STAR
CHEBI:32639 biolink:ChemicalSubstance acetaminophen glutathione conjugate phenio.json 3-(Glutathion-S-yl)acetaminophen|AA-Glutathion|AA-Gsh|Acetaminophen glutathion|Glutathione-S-acetaminophen conjugate|L-gamma-glutamyl-S-(5-acetamido-2-hydroxyphenyl)-L-cysteinylglycine http://purl.obolibrary.org/obo/CHEBI_32639 3_STAR
CHEBI:32640 biolink:ChemicalSubstance D-methionyl group phenio.json (2R)-2-amino-4-(methylsulfanyl)butanoyl|D-Met-|D-methionyl http://purl.obolibrary.org/obo/CHEBI_32640 3_STAR
CHEBI:32643 biolink:ChemicalSubstance 5-acetamido-6-formamido-3-methyluracil CAS:85438-96-6|KEGG:C16365 phenio.json 5-Acetylamino-6-formylamino-3-methyluracil|AFMU|N-(6-formamido-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide http://purl.obolibrary.org/obo/CHEBI_32643 3_STAR
CHEBI:32644 biolink:ChemicalSubstance methioninate A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group. Gmelin:326565|Reaxys:3937270 phenio.json 2-amino-4-(methylsulfanyl)butanoate|met(-)|methioninate|methionine anion http://purl.obolibrary.org/obo/CHEBI_32644 3_STAR
CHEBI:32646 biolink:ChemicalSubstance methioninium A sulfur-containing amino-acid cation that is the conjugate acid of methionine, arising from protonation of the amino group. Gmelin:326567 phenio.json 1-carboxy-3-(methylsulfanyl)propan-1-aminium|H2met(+)|methionine cation|methioninium http://purl.obolibrary.org/obo/CHEBI_32646 3_STAR
CHEBI:32648 biolink:ChemicalSubstance methionine residue phenio.json methionine residue|methionyl http://purl.obolibrary.org/obo/CHEBI_32648 3_STAR
CHEBI:32649 biolink:ChemicalSubstance N-hydroxy-4-aminobiphenyl O-glucuronide A glucosiduronic acid that is the O-glucuronide of N-hydroxy-4-aminobiphenyl. CAS:41839-10-5 phenio.json 1-O-([1,1'-biphenyl-4-yl]amino)-beta-D-glucopyranuronic acid|N-hydroxy-4-aminobiphenyl glucuronide http://purl.obolibrary.org/obo/CHEBI_32649 3_STAR
CHEBI:32650 biolink:ChemicalSubstance L-asparaginate An optically active form of asparaginate having L-configuration. Gmelin:327371|HMDB:HMDB0000168|Reaxys:6115348 phenio.json (2S)-2,4-diamino-4-oxobutanoate|L-asparaginate|L-asparagine anion http://purl.obolibrary.org/obo/CHEBI_32650 3_STAR
CHEBI:32651 biolink:ChemicalSubstance L-asparaginium phenio.json (1S)-3-amino-1-carboxy-3-oxopropan-1-aminium|L-asparagine cation|L-asparaginium http://purl.obolibrary.org/obo/CHEBI_32651 3_STAR
CHEBI:32653 biolink:ChemicalSubstance D-asparaginyl group phenio.json (2R)-2,4-diamino-4-oxobutanoyl|D-Asp-|D-asparaginyl http://purl.obolibrary.org/obo/CHEBI_32653 3_STAR
CHEBI:32656 biolink:ChemicalSubstance D-asparaginate Gmelin:533547 phenio.json (2R)-2,4-diamino-4-oxobutanoate|D-asparaginate|D-asparagine anion http://purl.obolibrary.org/obo/CHEBI_32656 3_STAR
CHEBI:32657 biolink:ChemicalSubstance D-asparaginium phenio.json (1R)-3-amino-1-carboxy-3-oxopropan-1-aminium|D-asparagine cation|D-asparaginium http://purl.obolibrary.org/obo/CHEBI_32657 3_STAR
CHEBI:32660 biolink:ChemicalSubstance asparaginate An alpha-amino-acid anion that is the conjugate base of asparagine, arising from deprotonation of the carboxy group. Gmelin:327370 phenio.json 2,4-diamino-4-oxobutanoate|asp(-)|asparaginate|asparagine anion http://purl.obolibrary.org/obo/CHEBI_32660 3_STAR
CHEBI:32661 biolink:ChemicalSubstance asparaginium phenio.json 3-amino-1-carboxy-3-oxopropan-1-aminium|H2asp(+)|asparagine cation|asparaginium http://purl.obolibrary.org/obo/CHEBI_32661 3_STAR
CHEBI:32663 biolink:ChemicalSubstance tamoxifen N-beta-D-glucosiduronic acid phenio.json N-(2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)-N,N-dimethyl-beta-D-glucopyranuronosylaminium|tamoxifen N-glucuronide http://purl.obolibrary.org/obo/CHEBI_32663 3_STAR
CHEBI:32664 biolink:ChemicalSubstance asparagine residue phenio.json asparagine residue|asparaginyl http://purl.obolibrary.org/obo/CHEBI_32664 3_STAR
CHEBI:32665 biolink:ChemicalSubstance L-glutaminate An optically active form of glutaminate having L-configuration. Gmelin:327924 phenio.json (2S)-2,5-diamino-5-oxopentanoate|L-glutaminate|L-glutamine anion http://purl.obolibrary.org/obo/CHEBI_32665 3_STAR
CHEBI:32666 biolink:ChemicalSubstance L-glutaminium An optically active form of glutaminium having L-configuration. phenio.json (1S)-4-amino-1-carboxy-4-oxobutan-1-aminium|L-glutamine cation|L-glutaminium http://purl.obolibrary.org/obo/CHEBI_32666 3_STAR
CHEBI:32668 biolink:ChemicalSubstance N(2)-L-glutamino group phenio.json -Gln|N(2)-L-glutamino|N(alpha)-L-glutamino|[(1S)-4-amino-1-carboxy-4-oxobutyl]amino http://purl.obolibrary.org/obo/CHEBI_32668 3_STAR
CHEBI:32672 biolink:ChemicalSubstance D-glutaminate An optically active form of glutaminate having D-configuration. Gmelin:1342585 phenio.json (2R)-2,5-diamino-5-oxopentanoate|D-glutaminate|D-glutamine anion http://purl.obolibrary.org/obo/CHEBI_32672 3_STAR
CHEBI:32673 biolink:ChemicalSubstance D-glutaminium An optically active form of glutaminium having D-configuration. phenio.json (1R)-4-amino-1-carboxy-4-oxobutan-1-aminium|D-glutamine cation|D-glutaminium http://purl.obolibrary.org/obo/CHEBI_32673 3_STAR
CHEBI:32675 biolink:ChemicalSubstance N(2)-D-glutamino group phenio.json -D-Gln|N(2)-D-glutamino|N(alpha)-D-glutamino|[(1R)-4-amino-1-carboxy-4-oxobutyl]amino http://purl.obolibrary.org/obo/CHEBI_32675 3_STAR
CHEBI:32677 biolink:ChemicalSubstance glutamine residue phenio.json glutamine residue|glutaminyl http://purl.obolibrary.org/obo/CHEBI_32677 3_STAR
CHEBI:32678 biolink:ChemicalSubstance glutaminate An alpha-amino-acid anion that is the conjugate base of glutamine, arising from deprotonation of the carboxy group. Gmelin:464703 phenio.json 2,5-diamino-5-oxopentanoate|gln(-)|glutaminate|glutamine anion http://purl.obolibrary.org/obo/CHEBI_32678 3_STAR
CHEBI:32679 biolink:ChemicalSubstance glutaminium An alpha-amino-acid cation that is the conjugate acid of glutamine, arising from protonation of the amino group. phenio.json 4-amino-1-carboxy-4-oxobutan-1-aminium|H2gln(+)|glutamine cation|glutaminium http://purl.obolibrary.org/obo/CHEBI_32679 3_STAR
CHEBI:32681 biolink:ChemicalSubstance L-argininate An L-alpha-amino acid anion that is the conjugate base of L-arginine; obtained by deprotonation of the carboxy group. Beilstein:4745004|Gmelin:329320 phenio.json (2S)-2-amino-5-(carbamimidamido)pentanoate|(2S)-2-amino-5-guanidinopentanoate|L-argininate|L-arginine anion http://purl.obolibrary.org/obo/CHEBI_32681 3_STAR
CHEBI:32682 biolink:ChemicalSubstance L-argininium(1+) The L-enantiomer of argininium(1+). Gmelin:1345601 phenio.json (2S)-2-amino-5-(carbamimidamido)pentanoate|(2S)-2-amino-5-guanidinopentanoate|(2S)-2-ammonio-5-guanidiniopentanoate|(2S)-2-azaniumyl-5-{[azaniumyl(imino)methyl]amino}pentanoate|L-arginine|L-arginine cation|L-arginine monocation|L-argininium|L-argininium(1+)|arginine(1+) http://purl.obolibrary.org/obo/CHEBI_32682 3_STAR
CHEBI:32683 biolink:ChemicalSubstance L-argininium(2+) Beilstein:4745613 phenio.json L-arginine dication|L-argininediium|L-argininium(2+)|[(1S)-1-carboxy-4-guanidiniobutyl]ammonium http://purl.obolibrary.org/obo/CHEBI_32683 3_STAR
CHEBI:32687 biolink:ChemicalSubstance piperonyl butoxide Beilstein:288063|CAS:51-03-6|Drug_Central:4276|KEGG:C18880|KEGG:D08383|PPDB:529|VSDB:529|Wikipedia:Piperonyl_Butoxide phenio.json (3,4-methylenedioxy-6-propylbenzyl) (butyl) diethylene glycol ether|(butylcarbityl)(6-propylpiperonyl)ether|2-(2-butoxyethoxy)ethyl 6-propylpiperonyl ether|5-propyl-4-(2,5,8-trioxa-dodecyl)-1,3-benzodioxole|5-{[2-(2-butoxyethoxy)ethoxy]methyl}-6-propyl-1,3-benzodioxole|6-propylpiperonyl butyl diethylene glycol ether|alpha-(2-(2-n-butoxyethoxy)-ethoxy)-4,5-methylenedioxy-2-propyltoluene|alpha-[2-(2-butoxyethoxy)ethoxy]-4,5-(methylenedioxy)-2-propyltoluene|butyl carbitol 6-propylpiperonyl ether http://purl.obolibrary.org/obo/CHEBI_32687 3_STAR
CHEBI:32688 biolink:ChemicalSubstance D-argininate phenio.json (2R)-2-amino-5-(carbamimidamido)pentanoate|(2R)-2-amino-5-guanidinopentanoate|D-argininate|D-arginine anion http://purl.obolibrary.org/obo/CHEBI_32688 3_STAR
CHEBI:32689 biolink:ChemicalSubstance D-argininium(1+) The D-enantiomer of argininium(1+). Gmelin:1345600|MetaCyc:CPD-220 phenio.json (2R)-2-ammonio-5-guanidiniopentanoate|D-arginine|D-arginine monocation|D-argininium|D-argininium(1+) http://purl.obolibrary.org/obo/CHEBI_32689 3_STAR
CHEBI:32690 biolink:ChemicalSubstance D-argininium(2+) phenio.json D-arginine dication|D-argininediium|D-argininium(2+)|[(1R)-1-carboxy-4-guanidiniobutyl]ammonium http://purl.obolibrary.org/obo/CHEBI_32690 3_STAR
CHEBI:32695 biolink:ChemicalSubstance argininate Gmelin:603497 phenio.json 2-amino-5-(carbamimidamido)pentanoate|2-amino-5-guanidinopentanoate|arg(-)|argininate|arginine anion http://purl.obolibrary.org/obo/CHEBI_32695 3_STAR
CHEBI:32696 biolink:ChemicalSubstance argininium(1+) Gmelin:1345599 phenio.json 2-ammonio-5-guanidiniopentanoate|H2arg(+)|arginine|arginine monocation|argininium|argininium(1+) http://purl.obolibrary.org/obo/CHEBI_32696 3_STAR
CHEBI:32697 biolink:ChemicalSubstance argininium(2+) phenio.json (1-carboxy-4-guanidiniobutyl)ammonium|H3arg(2+)|arginine dication|argininediium|argininium(2+) http://purl.obolibrary.org/obo/CHEBI_32697 3_STAR
CHEBI:32699 biolink:ChemicalSubstance argininium residue phenio.json argininium residue http://purl.obolibrary.org/obo/CHEBI_32699 3_STAR
CHEBI:32700 biolink:ChemicalSubstance arginine residue phenio.json arginine base residue|arginine residue|arginyl http://purl.obolibrary.org/obo/CHEBI_32700 3_STAR
CHEBI:32701 biolink:ChemicalSubstance N-hydroxy-4-aminobiphenyl O-sulfate phenio.json N-(sulfooxy)-[1,1'-biphenyl]-4-amine http://purl.obolibrary.org/obo/CHEBI_32701 3_STAR
CHEBI:32702 biolink:ChemicalSubstance L-tryptophanate The L-enantiomer of tryptophanate. Beilstein:4144998|Gmelin:331343 phenio.json (2S)-2-amino-3-(1H-indol-3-yl)propanoate|L-tryptophan anion|L-tryptophanate http://purl.obolibrary.org/obo/CHEBI_32702 3_STAR
CHEBI:32704 biolink:ChemicalSubstance L-tryptophanium The L-enantiomer of tryptophanium. phenio.json (1S)-1-carboxy-2-(1H-indol-3-yl)ethanaminium|L-tryptophan cation|L-tryptophanium http://purl.obolibrary.org/obo/CHEBI_32704 3_STAR
CHEBI:32716 biolink:ChemicalSubstance D-tryptophanate The D-enantiomer of tryptophanate. Beilstein:6847890|Gmelin:331344 phenio.json (2R)-2-amino-3-(1H-indol-3-yl)propanoate|D-tryptophan anion|D-tryptophanate http://purl.obolibrary.org/obo/CHEBI_32716 3_STAR
CHEBI:32717 biolink:ChemicalSubstance D-tryptophanium The D-enantiomer of tryptophanium. phenio.json (1R)-1-carboxy-2-(1H-indol-3-yl)ethanaminium|D-tryptophan cation|D-tryptophanium http://purl.obolibrary.org/obo/CHEBI_32717 3_STAR
CHEBI:32721 biolink:ChemicalSubstance glycyl radical An alpha-amino-acid radical derived from glycine. Beilstein:1903152 phenio.json amino(carboxy)methyl|gly(.)|glycine radical http://purl.obolibrary.org/obo/CHEBI_32721 3_STAR
CHEBI:32722 biolink:ChemicalSubstance glycyl radical residue phenio.json -Gly(.)-|Gly radical|Gly(.)|glycin-2-yl radical residue|glycine radical residue http://purl.obolibrary.org/obo/CHEBI_32722 3_STAR
CHEBI:32727 biolink:ChemicalSubstance tryptophanate An alpha-amino-acid anion that is the conjugate base of tryptophan, arising from deprotonation of the carboxy group. Beilstein:4144997|Gmelin:331342|Reaxys:4144998 phenio.json 2-amino-3-(1H-indol-3-yl)propanoate|trp(-)|tryptophan anion|tryptophanate http://purl.obolibrary.org/obo/CHEBI_32727 3_STAR
CHEBI:32728 biolink:ChemicalSubstance tryptophanium An alpha-amino-acid cation that is the conjugate acid of tryptophan, arising from protonation of the alpha-amino group. phenio.json 1-carboxy-2-(1H-indol-3-yl)ethanaminium|Htrp(+)|tryptophan cation|tryptophanium http://purl.obolibrary.org/obo/CHEBI_32728 3_STAR
CHEBI:32742 biolink:ChemicalSubstance L-selenocysteinate(1-) phenio.json (2R)-2-amino-3-selanylpropanoate|L-selenocysteinate(1-)|L-selenocysteine monoanion|hydrogen L-selenocysteinate http://purl.obolibrary.org/obo/CHEBI_32742 3_STAR
CHEBI:32743 biolink:ChemicalSubstance L-selenocysteinate(2-) Beilstein:5921924 phenio.json (2R)-2-amino-3-selenidopropanoate|L-selenocysteinate|L-selenocysteinate(2-)|L-selenocysteine dianion http://purl.obolibrary.org/obo/CHEBI_32743 3_STAR
CHEBI:32744 biolink:ChemicalSubstance L-selenocysteinium A selenocysteinium that has L configuration. phenio.json (1R)-1-carboxy-2-selanylethanaminium|L-selenocysteine cation|L-selenocysteinium|L-selenocysteinium(1+) http://purl.obolibrary.org/obo/CHEBI_32744 3_STAR
CHEBI:32747 biolink:ChemicalSubstance D-selenocysteinate(1-) phenio.json (2S)-2-amino-3-selanylpropanoate|D-selenocysteinate(1-)|D-selenocysteine monoanion|hydrogen D-selenocysteinate http://purl.obolibrary.org/obo/CHEBI_32747 3_STAR
CHEBI:32750 biolink:ChemicalSubstance D-selenocysteinate(2-) phenio.json (2S)-2-amino-3-selenidopropanoate|D-selenocysteinate|D-selenocysteinate(2-)|D-selenocysteine dianion http://purl.obolibrary.org/obo/CHEBI_32750 3_STAR
CHEBI:32751 biolink:ChemicalSubstance D-selenocysteinium A selenocysteinium that has D configuration. phenio.json (1S)-1-carboxy-2-selanylethanaminium|D-selenocysteine cation|D-selenocysteinium|D-selenocysteinium(1+) http://purl.obolibrary.org/obo/CHEBI_32751 3_STAR
CHEBI:32752 biolink:ChemicalSubstance selenocysteinate(1-) phenio.json 2-amino-3-selanylpropanoate|hydrogen selenocysteinate|selenocysteinate(1-)|selenocysteine monoanion http://purl.obolibrary.org/obo/CHEBI_32752 3_STAR
CHEBI:32753 biolink:ChemicalSubstance selenocysteinate(2-) phenio.json 2-amino-3-selenidopropanoate|selenocysteinate|selenocysteinate(2-)|selenocysteine dianion http://purl.obolibrary.org/obo/CHEBI_32753 3_STAR
CHEBI:32754 biolink:ChemicalSubstance selenocysteinium An alpha-amino-acid cation resulting from the protonation of the amino group of selenocysteine. phenio.json 1-carboxy-2-selanylethanaminium|selenocysteine cation|selenocysteinium|selenocysteinium(1+) http://purl.obolibrary.org/obo/CHEBI_32754 3_STAR
CHEBI:32757 biolink:ChemicalSubstance selenocysteine residue phenio.json selenocysteine acid residue|selenocysteine residue|selenocysteinyl http://purl.obolibrary.org/obo/CHEBI_32757 3_STAR
CHEBI:32758 biolink:ChemicalSubstance selenocysteinate residue phenio.json selenocysteinate residue http://purl.obolibrary.org/obo/CHEBI_32758 3_STAR
CHEBI:32760 biolink:ChemicalSubstance L-tyrosinate(1-) An optically active form of tyrosinate having L-configuration. Gmelin:329373|Reaxys:4784244 phenio.json (2S)-2-amino-3-(4-hydroxyphenyl)propanoate|L-tyrosinate(1-)|L-tyrosine anion|L-tyrosine monoanion|hydrogen L-tyrosinate http://purl.obolibrary.org/obo/CHEBI_32760 3_STAR
CHEBI:32761 biolink:ChemicalSubstance L-tyrosinate(2-) The L-enantiomer of tyrosinate(2-). Gmelin:364975|Reaxys:5339596 phenio.json (2S)-2-amino-3-(4-oxidophenyl)propanoate|L-tyrosinate|L-tyrosinate(2-)|L-tyrosine dianion http://purl.obolibrary.org/obo/CHEBI_32761 3_STAR
CHEBI:32762 biolink:ChemicalSubstance L-tyrosinium An optically active form of tyrosinium having L-configuration. Gmelin:1150138 phenio.json (1S)-1-carboxy-2-(4-hydroxyphenyl)ethanaminium|L-tyrosine cation|L-tyrosinium http://purl.obolibrary.org/obo/CHEBI_32762 3_STAR
CHEBI:32773 biolink:ChemicalSubstance D-tyrosinate(1-) An optically active form of tyrosinate(1-) having D-configuration. Gmelin:1484464 phenio.json (2R)-2-amino-3-(4-hydroxyphenyl)propanoate|D-tyrosinate(1-)|D-tyrosine monoanion|hydrogen D-tyrosinate http://purl.obolibrary.org/obo/CHEBI_32773 3_STAR
CHEBI:32774 biolink:ChemicalSubstance D-tyrosinate(2-) The D-enantiomer of tyrosinate(2-). phenio.json (2R)-2-amino-3-(4-oxidophenyl)propanoate|D-tyrosinate|D-tyrosinate(2-)|D-tyrosine dianion http://purl.obolibrary.org/obo/CHEBI_32774 3_STAR
CHEBI:32775 biolink:ChemicalSubstance D-tyrosinium An optically active form of tyrosinium having D-configuration. Gmelin:364976 phenio.json (1R)-1-carboxy-2-(4-hydroxyphenyl)ethanaminium|D-tyrosine cation|D-tyrosinium http://purl.obolibrary.org/obo/CHEBI_32775 3_STAR
CHEBI:32784 biolink:ChemicalSubstance tyrosinate(1-) An alpha-amino-acid anion that is the conjugate base of tyrosine, arising from deprotonation of the carboxy group. Beilstein:3548387|Beilstein:4139515|Gmelin:329372 phenio.json 2-amino-3-(4-hydroxyphenyl)propanoate|hydrogen tyrosinate|tyrosinate(1-)|tyrosine anion http://purl.obolibrary.org/obo/CHEBI_32784 3_STAR
CHEBI:32785 biolink:ChemicalSubstance tyrosinate(2-) phenio.json 2-amino-3-(4-oxidophenyl)propanoate|tyrosinate|tyrosinate(2-)|tyrosine dianion http://purl.obolibrary.org/obo/CHEBI_32785 3_STAR
CHEBI:32786 biolink:ChemicalSubstance tyrosinium An alpha-amino-acid cation that is the conjugate acid of tyrosine, arising from protonation of the amino group. phenio.json 1-carboxy-2-(4-hydroxyphenyl)ethanaminium|tyrosine cation|tyrosinium http://purl.obolibrary.org/obo/CHEBI_32786 3_STAR
CHEBI:32789 biolink:ChemicalSubstance tyrosine residue phenio.json tyrosine acid residue|tyrosine residue|tyrosyl http://purl.obolibrary.org/obo/CHEBI_32789 3_STAR
CHEBI:32796 biolink:ChemicalSubstance (R)-2-hydroxyglutaric acid The (R)-enantiomer of 2-hydroxyglutaric acid. CAS:13095-47-1|FooDB:FDB022139|HMDB:HMDB0000606|KEGG:C01087|MetaCyc:R-2-HYDROXYGLUTARATE|PDBeChem:2HG|PMID:10960831|PMID:11781152|PMID:12786967|PMID:12872850|PMID:12884432|PMID:12938854|PMID:12963087|PMID:14511354|PMID:14706223|PMID:15248096|PMID:15963747|PMID:19961059|PMID:25043325|PMID:28735490|PMID:29744569|PMID:31431883|PMID:33135718|PMID:34333063|PMID:35200327|PMID:35769466|PMID:36372308|PMID:8134166|PMID:9894884|Reaxys:1723806 phenio.json (2R)-2-hydroxypentanedioic acid|(2R)-hydroxyglutaric acid|(R)-(-)-2-hydroxyglutaric acid|(R)-2-hydroxy-pentanedioic acid|(R)-2-hydroxyglutaric acid|(R)-2-hydroxypentanedioic acid|(R)-alpha-hydroxyglutaric acid|2-Hydroxy-D-glutaric acid|D-2-hydroxyglutaric acid|D-alpha-hydroxyglutaric acid http://purl.obolibrary.org/obo/CHEBI_32796 3_STAR
CHEBI:32797 biolink:ChemicalSubstance (S)-2-hydroxyglutaric acid CAS:13095-48-2|Gmelin:1218919|KEGG:C03196|MetaCyc:CPD-381|Reaxys:1723807 phenio.json (2S)-2-hydroxypentanedioic acid|(S)-2-Hydroxyglutarate http://purl.obolibrary.org/obo/CHEBI_32797 3_STAR
CHEBI:32798 biolink:ChemicalSubstance 9-cis,11-trans-octadecadienoic acid An octadeca-9,11-dienoic acid having 9-cis,11-trans-stereochemistry. Beilstein:1726545|KEGG:C04056|LIPID_MAPS_instance:LMFA01030118|PMID:15829653|PMID:16303327|PMID:16890934|PMID:18567757|PMID:19083449|PMID:9727617|Reaxys:1726546 phenio.json (9Z,11E)-Octadecadienoic acid|(9Z,11E)-octadeca-9,11-dienoic acid|(Z,E)-octadeca-9,11-dienoic acid|9(Z),11(E)-octadecadienoic acid|9,11-cis,trans-octadecanoic acid|9-cis-11-trans-linoleic acid|C18:2, n-7,9 trans,cis|cis-9,trans-11 conjugated linoleic acid|cis-9,trans-11-CLA|rumenic acid http://purl.obolibrary.org/obo/CHEBI_32798 3_STAR
CHEBI:327995 biolink:ChemicalSubstance tyraminium An ammonium ion that is the conjugate acid of tyramine; major species at pH 7.3. MetaCyc:TYRAMINE phenio.json 2-(4-hydroxyphenyl)ethanaminium|tyramine|tyraminium cation|tyraminium(1+) http://purl.obolibrary.org/obo/CHEBI_327995 3_STAR
CHEBI:32800 biolink:ChemicalSubstance (S)-mandelic acid Beilstein:2208678|CAS:17199-29-0|CAS:611-72-3|CAS:90-64-2|DrugBank:DB03357|Gmelin:69017|KEGG:C01984|PDBeChem:SMN phenio.json (2S)-hydroxy(phenyl)acetic acid|(S)-2-Hydroxy-2-phenylacetic acid|(S)-MANDELIC ACID|(S)-Mandelic acid|(S)-Mandelsaeure|(S)-alpha-hydroxybenzeneacetic acid|L-mandelic acid http://purl.obolibrary.org/obo/CHEBI_32800 3_STAR
CHEBI:32802 biolink:ChemicalSubstance (S)-4-hydroxymandelic acid A 4-hydroxymandelic acid that has S-configuration. KEGG:C03198|PDBeChem:HHH|Reaxys:3199921 phenio.json (2S)-hydroxy(4-hydroxyphenyl)acetic acid|(S)-2-Hydroxy-2-(4-hydroxyphenyl)acetate|(S)-4-Hydroxymandelate|4-hydroxy-L-mandelic acid http://purl.obolibrary.org/obo/CHEBI_32802 3_STAR
CHEBI:32803 biolink:ChemicalSubstance (R)-4-hydroxymandelic acid A 4-hydroxymandelic acid that has R-configuration. KEGG:C05343|Reaxys:6115539 phenio.json (2R)-hydroxy(4-hydroxyphenyl)acetic acid|4-hydroxy-D-mandelic acid http://purl.obolibrary.org/obo/CHEBI_32803 3_STAR
CHEBI:32804 biolink:ChemicalSubstance 4-hydroxymandelate A 2-hydroxycarboxylate that is obtained by removal of a proton from the carboxylic acid group of 4-hydroxymandelic acid. phenio.json 2-hydroxy-2-(4-hydroxyphenyl)acetate|hydroxy(4-hydroxyphenyl)acetate http://purl.obolibrary.org/obo/CHEBI_32804 3_STAR
CHEBI:32805 biolink:ChemicalSubstance cis-aconitic acid The cis-isomer of aconitic acid. CAS:585-84-2|HMDB:HMDB0000072|KEGG:C00417|KNApSAcK:C00001177|MetaCyc:CIS-ACONITATE|Reaxys:1725829 phenio.json (1Z)-prop-1-ene-1,2,3-tricarboxylic acid|(Z)-1-propene-1,2,3-tricarboxylic acid|cis-1-propene-1,2,3-tricarboxylic acid|cis-Aconitic acid http://purl.obolibrary.org/obo/CHEBI_32805 3_STAR
CHEBI:32806 biolink:ChemicalSubstance trans-aconitic acid The trans-isomer of aconitic acid. CAS:4023-65-8|ECMDB:ECMDB00958|Gmelin:1606182|HMDB:HMDB0000958|KEGG:C02341|MetaCyc:CPD-225|PDBeChem:TRA|PMID:16662564|PMID:17747267|PMID:21670527|PMID:2597432|PMID:3339476|PMID:6625167|Reaxys:1725830|YMDB:YMDB00340 phenio.json (1E)-1-propene-1,2,3-tricarboxylic acid|(1E)-prop-1-ene-1,2,3-tricarboxylic acid|(E)-1-propene-1,2,3-tricarboxylic acid|trans-Aconitic acid http://purl.obolibrary.org/obo/CHEBI_32806 3_STAR
CHEBI:32807 biolink:ChemicalSubstance o-orsellinic acid A dihydroxybenzoic acid that is 2,4-dihydroxybenzoic acid in which the hydrogen at position 6 is replaced by a methyl group. CAS:480-64-8|KEGG:C01839|KNApSAcK:C00000487|LINCS:LSM-20972|LIPID_MAPS_instance:LMPK13010001|MetaCyc:CPD-47|PDBeChem:6X7|PMID:13869400|PMID:19666480|PMID:20174687|PMID:20630753|PMID:21879714|PMID:25537370|PMID:4399350|PMID:5311576|Reaxys:2211027|Wikipedia:Orsellinic_acid phenio.json 2,4-Dihydroxy-6-methylbenzoic acid|2,4-dihydroxy-6-methylbenzoic acid|4,6-Dihydroxy-o-toluic acid|Orsellinsaeure|o-Orsellinic acid|orsellic acid|orsellinic acid http://purl.obolibrary.org/obo/CHEBI_32807 3_STAR
CHEBI:32809 biolink:ChemicalSubstance 3-hydroxy-L-glutamic acid An amino dicarboxylic acid that is L-glutamic acid substituted by a hydroxy group at position 3. KEGG:C03066|Reaxys:2502272 phenio.json (2S)-2-amino-3-hydroxypentanedioic acid|3-Hydroxy-L-glutamic acid|3-hydroxy-L-glutamic acid http://purl.obolibrary.org/obo/CHEBI_32809 3_STAR
CHEBI:32810 biolink:ChemicalSubstance 3-hydroxy-L-glutamate(1-) An N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups and protonation of the amino group of 3-hydroxy-L-glutamic acid. phenio.json (2S)-2-ammonio-3-hydroxypentanedioate|(2S)-2-azaniumyl-3-hydroxypentanedioate|3-hydroxy-L-glutamate|hydrogen 3-hydroxy-L-glutamate http://purl.obolibrary.org/obo/CHEBI_32810 3_STAR
CHEBI:32811 biolink:ChemicalSubstance 4-hydroxy-L-glutamic acid An amino dicarboxylic acid that is L-glutamic acid substituted by a hydroxy group at position 4. Beilstein:1868867|KEGG:C03079|PDBeChem:3GL phenio.json (2S)-2-amino-4-hydroxypentanedioic acid|4-Hydroxy-L-glutamic acid|4-hydroxy-L-glutamic acid http://purl.obolibrary.org/obo/CHEBI_32811 3_STAR
CHEBI:32812 biolink:ChemicalSubstance 4-hydroxy-L-glutamate(1-) An L-alpha-amino acid anion resulting from deprotonation of the carboxy groups and protonation of the amino group of 4-hydroxy-L-glutamic acid phenio.json (2S)-2-ammonio-4-hydroxypentanedioate|(2S)-2-azaniumyl-4-hydroxypentanedioate|4-hydroxy-L-glutamate|hydrogen 4-hydroxy-L-glutamate http://purl.obolibrary.org/obo/CHEBI_32812 3_STAR
CHEBI:32813 biolink:ChemicalSubstance N-amidino-L-aspartate(2-) A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of N-amidino-L-aspartic acid. phenio.json (2S)-2-carbamimidamidobutanedioate|N-amidino-L-aspartate|N-amidino-L-aspartate dianion|N-carbamimidoyl-L-aspartate http://purl.obolibrary.org/obo/CHEBI_32813 3_STAR
CHEBI:32814 biolink:ChemicalSubstance N-carbamoyl-L-aspartate(2-) An N-carbamoyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy groups of N-carbamoyl-L-aspartic acid. HMDB:HMDB0000828|MetaCyc:CARBAMYUL-L-ASPARTATE|PMID:21045288|Reaxys:3671739 phenio.json L-ureidosuccinate|N-carbamoyl-L-aspartate|N-carbamoyl-L-aspartate dianion http://purl.obolibrary.org/obo/CHEBI_32814 3_STAR
CHEBI:32815 biolink:ChemicalSubstance enol-phenylpyruvic acid A 2-hydroxy monocarboxylic acid that is the enol-form of phenylpyruvic acid, consisting of acrylic acid having a hydroxy substituent at the 2-position and a phenyl group at the 3-position. KEGG:C02763|Reaxys:2413207 phenio.json 2-hydroxy-3-phenylacrylic acid|2-hydroxy-3-phenylprop-2-enoic acid|enol-Phenylpyruvate|enol-Phenylpyruvic acid|enol-alpha-Ketohydrocinnamic acid http://purl.obolibrary.org/obo/CHEBI_32815 3_STAR
CHEBI:32816 biolink:ChemicalSubstance pyruvic acid A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis. Beilstein:506211|CAS:127-17-3|DrugBank:DB00119|ECMDB:ECMDB00243|Gmelin:101087|HMDB:HMDB0000243|KEGG:C00022|KNApSAcK:C00001200|LIPID_MAPS_instance:LMFA01060077|MetaCyc:PYRUVATE|PDBeChem:PYR|PMID:11762589|PMID:19260671|PMID:22150460|PMID:22233273|PMID:22735334|PMID:22770225|Reaxys:506211|Wikipedia:Pyruvic_acid|YMDB:YMDB00175 phenio.json 2-Oxopropanoic acid|2-Oxopropansaeure|2-Oxopropionsaeure|2-ketopropionic acid|2-oxopropanoic acid|Acetylformic acid|BTS|Brenztraubensaeure|CH3COCOOH|PYRUVIC ACID|Pyroracemic acid|Pyruvic acid|acetylformic acid|acide pyruvique|alpha-Oxopropionsaeure|alpha-ketopropionic acid|pyruvic acid http://purl.obolibrary.org/obo/CHEBI_32816 3_STAR
CHEBI:32817 biolink:ChemicalSubstance keto-3-deoxy-D-manno-octulosonic acid Beilstein:2455316|CAS:10149-14-1|KEGG:C01187 phenio.json 2-Dehydro-3-deoxy-D-octonate|3-Deoxy-D-manno-2-octulosonate|3-Deoxy-D-manno-octulosonate|3-Deoxyoctulosonic acid|3-deoxy-D-manno-2-octulosonic acid|KDO|keto-3-deoxy-D-manno-oct-2-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_32817 3_STAR
CHEBI:32818 biolink:ChemicalSubstance p-coumaroylagmatine A member of the class of cinnamamides obtained by formal condensation of the carboxy group of 4-coumaric acid with the primary amino group of agmatine. CAS:7295-86-5|HMDB:HMDB0033460|KEGG:C04498|MetaCyc:N-4-GUANIDINOBUTYL-4-HYDROXYCINNAMAMID|Reaxys:2658799 phenio.json N-(4-Guanidinobutyl)-4-hydroxycinnamamide|N-(4-Guanidinobutyl)-4-hydroxycinnamide|N-(4-guanidinobutyl)-4-hydroxycinnamamide|N-(4-guanidinobutyl)-p-hydroxycinnamamide|N-[4-(carbamimidamido)butyl]-3-(4-hydroxyphenyl)prop-2-enamide|coumaroylagmatine http://purl.obolibrary.org/obo/CHEBI_32818 3_STAR
CHEBI:32819 biolink:ChemicalSubstance L-2-amino-4-chloropent-4-enoate phenio.json (2S)-2-amino-4-chloropent-4-enoate http://purl.obolibrary.org/obo/CHEBI_32819 3_STAR
CHEBI:32820 biolink:ChemicalSubstance L-threoninate An L-alpha-amino acid anion that is the conjugate base of L-threonine, arising from deprotonation of the carboxy group. Gmelin:464365|Reaxys:4376295 phenio.json (2S,3R)-2-amino-3-hydroxybutanoate|L-threoninate|L-threonine anion http://purl.obolibrary.org/obo/CHEBI_32820 3_STAR
CHEBI:32822 biolink:ChemicalSubstance L-threoninium The L-enantiomer of threoninium. phenio.json (1S,2R)-1-carboxy-2-hydroxypropan-1-aminium|L-threonine cation|L-threoninium http://purl.obolibrary.org/obo/CHEBI_32822 3_STAR
CHEBI:32826 biolink:ChemicalSubstance D-allothreonine The D-enantiomer of allothreonine. It occurs as a component of peptido-lipids in certain bacteria. CAS:24830-94-2|KEGG:C12317|MetaCyc:CPD-10303|PDBeChem:2TL|PMID:13717442|PMID:21190106|PMID:7410203|Reaxys:1721644 phenio.json (2R,3R)-2-amino-3-hydroxybutanoic acid|(2R,3R)-allothreonine|(R)-allothreonine|D-Allothreonine|D-allo-Threonine|D-allothreonine http://purl.obolibrary.org/obo/CHEBI_32826 3_STAR
CHEBI:32827 biolink:ChemicalSubstance D-threoninate The D-enantiomer of threoninate. Gmelin:1006174 phenio.json (2R,3S)-2-amino-3-hydroxybutanoate|D-threoninate|D-threonine anion http://purl.obolibrary.org/obo/CHEBI_32827 3_STAR
CHEBI:32828 biolink:ChemicalSubstance D-threoninium The D-enantiomer of threoninium. phenio.json (1R,2S)-1-carboxy-2-hydroxypropan-1-aminium|D-threonine cation|D-threoninium http://purl.obolibrary.org/obo/CHEBI_32828 3_STAR
CHEBI:32832 biolink:ChemicalSubstance threoninate phenio.json rel-(2R,3S)-2-amino-3-hydroxybutanoate|threoninate|threonine anion http://purl.obolibrary.org/obo/CHEBI_32832 3_STAR
CHEBI:32833 biolink:ChemicalSubstance threoninium phenio.json rel-(1R,2S)-1-carboxy-2-hydroxypropan-1-aminium|threonine cation|threoninium http://purl.obolibrary.org/obo/CHEBI_32833 3_STAR
CHEBI:32835 biolink:ChemicalSubstance threonine residue phenio.json threonine residue|threonyl http://purl.obolibrary.org/obo/CHEBI_32835 3_STAR
CHEBI:32836 biolink:ChemicalSubstance L-serinate A serinate that is the conjugate base of L-serine, obtained by deprotonation of the carboxy group. Beilstein:4372751|Gmelin:324693 phenio.json (2S)-2-amino-3-hydroxypropanoate|L-serinate|L-serine anion http://purl.obolibrary.org/obo/CHEBI_32836 3_STAR
CHEBI:32837 biolink:ChemicalSubstance L-serinium A serinium that is the conjugate acid of L-serine, obtained by protonation of the amino group. phenio.json (1S)-1-carboxy-2-hydroxyethanaminium|L-serine cation|L-serinium http://purl.obolibrary.org/obo/CHEBI_32837 3_STAR
CHEBI:32840 biolink:ChemicalSubstance D-serinate The D-enantiomer of serinate. Gmelin:745975 phenio.json (2R)-2-amino-3-hydroxypropanoate|D-serinate|D-serine anion http://purl.obolibrary.org/obo/CHEBI_32840 3_STAR
CHEBI:32841 biolink:ChemicalSubstance D-serinium The D-enantiomer of serinium. phenio.json (1R)-1-carboxy-2-hydroxyethanaminium|D-serine cation|D-serinium http://purl.obolibrary.org/obo/CHEBI_32841 3_STAR
CHEBI:32844 biolink:ChemicalSubstance N-acetyl-4-O-acetylneuraminic acid Beilstein:5630815|CAS:16655-75-7|KEGG:C04015 phenio.json 4-O-acetyl-N-acetylneuraminic acid|5-acetamido-4-O-acetyl-3,5-dideoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid http://purl.obolibrary.org/obo/CHEBI_32844 3_STAR
CHEBI:32845 biolink:ChemicalSubstance serinate An alpha-amino-acid anion that is the conjugate base of serine. Gmelin:324692 phenio.json 2-amino-3-hydroxypropanoate|serinate|serine anion http://purl.obolibrary.org/obo/CHEBI_32845 3_STAR
CHEBI:32846 biolink:ChemicalSubstance serinium An alpha-amino-acid cation that is the conjugate acid of serine. Gmelin:1925675 phenio.json 1-carboxy-2-hydroxyethanaminium|serine cation|serinium http://purl.obolibrary.org/obo/CHEBI_32846 3_STAR
CHEBI:32848 biolink:ChemicalSubstance serine residue phenio.json serine residue|seryl http://purl.obolibrary.org/obo/CHEBI_32848 3_STAR
CHEBI:32849 biolink:ChemicalSubstance TEMPO A member of the class of aminoxyls that is piperidine that carries an oxidanediyl group at position 1 and methyl groups at positions 2, 2, 6, and 6, respectively. Beilstein:1422418|CAS:2564-83-2|PMID:33225568|PMID:33296205|PMID:33483052|PMID:33923527|PMID:34009966|Wikipedia:TEMPO phenio.json (2,2,6,6-tetramethylpiperidin-1-yl)oxidanyl|1,1,5,5-tetramethylpentamethylene nitroxide|2,2,6,6-tetramethyl-1-piperidinyloxy|2,2,6,6-tetramethylpiperidinooxy radical|TEMPO http://purl.obolibrary.org/obo/CHEBI_32849 3_STAR
CHEBI:32851 biolink:ChemicalSubstance L-valinate The L-enantiomer of valinate. Beilstein:3933569|Gmelin:325409 phenio.json (2S)-2-amino-3-methylbutanoate|L-valinate|L-valine anion http://purl.obolibrary.org/obo/CHEBI_32851 3_STAR
CHEBI:32852 biolink:ChemicalSubstance L-valinium The L-enantiomer of valinium. phenio.json (1S)-1-carboxy-2-methylpropan-1-aminium|L-valine cation|L-valinium http://purl.obolibrary.org/obo/CHEBI_32852 3_STAR
CHEBI:32855 biolink:ChemicalSubstance D-valinate The D-enantiomer of valinate. Gmelin:325408 phenio.json (2R)-2-amino-3-methylbutanoate|D-valinate|D-valine anion http://purl.obolibrary.org/obo/CHEBI_32855 3_STAR
CHEBI:32856 biolink:ChemicalSubstance D-valinium The D-enantiomer of valinium. phenio.json (1R)-1-carboxy-2-methylpropan-1-aminium|D-valine cation|D-valinium http://purl.obolibrary.org/obo/CHEBI_32856 3_STAR
CHEBI:32859 biolink:ChemicalSubstance valinate Gmelin:49876 phenio.json 2-amino-3-methylbutanoate|val(-)|valinate|valine anion http://purl.obolibrary.org/obo/CHEBI_32859 3_STAR
CHEBI:3286 biolink:ChemicalSubstance cabergoline An N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia. Beilstein:6020775|CAS:81409-90-7|DrugBank:DB00248|Drug_Central:460|HMDB:HMDB0014393|KEGG:C08187|KEGG:D00987|LINCS:LSM-3939|PMID:22075008|PMID:22336848|PMID:22740242|PMID:23110560|PMID:23743769|Patent:BE888243|Patent:US4526892|VSDB:1830|Wikipedia:Cabergoline phenio.json (8R)-6-allyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)ergoline-8-carboxamide|(8beta)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-6-(prop-2-en-1-yl)ergoline-8-carboxamide|(8beta)-N-[3-(dimethylamino)propyl]-N-[(ethylamino)carbonyl]-6-(2-propenyl)-ergoline-8-carboxamide|1-((6-allylergolin-8beta-yl)carbonyl)-1-(3-(dimethylamino)propyl)-3-ethylurea|1-[(6-allylergoline-8beta-yl)carbonyl]-1-[3-(dimethylamino)propyl]-3-ethylurea|1-ethyl-3-(3'-dimethylamionpropyl)-2-(6'-allylergoline-8'beta-carbonyl)urea|Cabergoline|cabergolina|cabergoline|cabergolinum http://purl.obolibrary.org/obo/CHEBI_3286 3_STAR
CHEBI:32860 biolink:ChemicalSubstance valinium Gmelin:1651060 phenio.json 1-carboxy-2-methylpropan-1-aminium|H2val(+)|valine cation|valinium http://purl.obolibrary.org/obo/CHEBI_32860 3_STAR
CHEBI:32862 biolink:ChemicalSubstance L-prolinate An optically active form of prolinate having L-configuration. Gmelin:82610|Reaxys:4307988 phenio.json (2S)-pyrrolidine-2-carboxylate|L-prolinate|L-proline anion http://purl.obolibrary.org/obo/CHEBI_32862 3_STAR
CHEBI:32863 biolink:ChemicalSubstance secondary amine A compound formally derived from ammonia by replacing two hydrogen atoms by hydrocarbyl groups. KEGG:C02324 phenio.json R2NH|Secondary amine|secondary amines|sekundaeres Amin http://purl.obolibrary.org/obo/CHEBI_32863 3_STAR
CHEBI:32864 biolink:ChemicalSubstance L-prolinium An optically active form of prolinium having L-configuration. Gmelin:363493 phenio.json (2S)-2-carboxypyrrolidinium|L-proline cation|L-prolinium http://purl.obolibrary.org/obo/CHEBI_32864 3_STAR
CHEBI:32866 biolink:ChemicalSubstance L-prolino group phenio.json (2S)-2-carboxypyrrolidin-1-yl|-Pro|L-prolino http://purl.obolibrary.org/obo/CHEBI_32866 3_STAR
CHEBI:32867 biolink:ChemicalSubstance D-prolinate An optically active form of prolinate having D-configuration. Gmelin:533350 phenio.json (2R)-pyrrolidine-2-carboxylate|D-prolinate|D-proline anion http://purl.obolibrary.org/obo/CHEBI_32867 3_STAR
CHEBI:32868 biolink:ChemicalSubstance D-prolinium An optically active form of prolinium having D-configuration. Gmelin:363492 phenio.json (2R)-2-carboxypyrrolidinium|D-proline cation|D-prolinium http://purl.obolibrary.org/obo/CHEBI_32868 3_STAR
CHEBI:32870 biolink:ChemicalSubstance D-prolino group phenio.json (2R)-2-carboxypyrrolidin-1-yl|-D-Pro|D-prolino http://purl.obolibrary.org/obo/CHEBI_32870 3_STAR
CHEBI:32871 biolink:ChemicalSubstance prolinate An alpha-amino-acid anion that is the conjugate base of proline, arising from deprotonation of the carboxy group. Gmelin:50151|Reaxys:5387795 phenio.json pro(-)|prolinate|proline anion|pyrrolidine-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_32871 3_STAR
CHEBI:32872 biolink:ChemicalSubstance prolinium An alpha-amino-acid cation that is the conjugate acid of proline, arising from protonation of the amino group. phenio.json 2-carboxypyrrolidinium|H2pro(+)|proline cation|prolinium http://purl.obolibrary.org/obo/CHEBI_32872 3_STAR
CHEBI:32873 biolink:ChemicalSubstance prolino group phenio.json 2-carboxypyrrolidin-1-yl|prolino http://purl.obolibrary.org/obo/CHEBI_32873 3_STAR
CHEBI:32874 biolink:ChemicalSubstance proline residue phenio.json proline residue|prolyl http://purl.obolibrary.org/obo/CHEBI_32874 3_STAR
CHEBI:32875 biolink:ChemicalSubstance methyl group An alkyl group that is the univalent group derived from methane by removal of a hydrogen atom. phenio.json -CH3|-Me|CH3-|METHYL GROUP|Methylgruppe|alanine side-chain|group methyle|grupo metilo|methyl|methyl group http://purl.obolibrary.org/obo/CHEBI_32875 3_STAR
CHEBI:32876 biolink:ChemicalSubstance tertiary amine A compound formally derived from ammonia by replacing three hydrogen atoms by hydrocarbyl groups. KEGG:C02196 phenio.json R3N|Tertiary amine|tertiaeres Amin|tertiary amines http://purl.obolibrary.org/obo/CHEBI_32876 3_STAR
CHEBI:32877 biolink:ChemicalSubstance primary amine A compound formally derived from ammonia by replacing one hydrogen atom by a hydrocarbyl group. KEGG:C00375|KEGG:C00893|KEGG:C02580 phenio.json Primary amine|Primary monoamine|R-NH2|RCH2NH2|primaeres Amin|primary amines http://purl.obolibrary.org/obo/CHEBI_32877 3_STAR
CHEBI:32878 biolink:ChemicalSubstance alkene An acyclic branched or unbranched hydrocarbon having one carbon-carbon double bond and the general formula CnH2n. Acyclic branched or unbranched hydrocarbons having more than one double bond are alkadienes, alkatrienes, etc. KEGG:C01372 phenio.json Alkene|alkenes|olefin http://purl.obolibrary.org/obo/CHEBI_32878 3_STAR
CHEBI:32879 biolink:ChemicalSubstance propane Beilstein:1730718|CAS:74-98-6|Gmelin:25044 phenio.json CH3-CH2-CH3|E944|Propan|propane http://purl.obolibrary.org/obo/CHEBI_32879 3_STAR
CHEBI:32888 biolink:ChemicalSubstance gamma-hexachlorocyclohexane Beilstein:1907337|CAS:55963-79-6|CAS:58-89-9|DrugBank:DB00431|Drug_Central:1583|Gmelin:2179629|HMDB:HMDB0014575|KEGG:C07075|KEGG:D00360|PMID:17634937|PMID:37651265|PPDB:370|UM-BBD_compID:c0141|VSDB:370|Wikipedia:Lindane phenio.json (1alpha,2alpha,3beta,4alpha,5alpha,6beta)-1,2,3,4,5,6-hexachlorocyclohexane|(1r,2R,3S,4r,5R,6S)-1,2,3,4,5,6-hexachlorocyclohexane|(1r,2c,3t,4c,5c,6t)-1,2,3,4,5,6-hexachlorocyclohexane|1,2,3,4,5,6-Hexachlorocyclohexane|Benzene hexachloride|Kwell|Lindan|Lindane|gamma-1,2,3,4,5,6-hexachlorocyclohexane|gamma-BHC|gamma-HCH|gamma-Hexachlorocyclohexane|gamma-Hexachlorzyklohexan|gamma-benzene hexachloride|gamma-hexachlorocyclohexane|gamma-lindane http://purl.obolibrary.org/obo/CHEBI_32888 3_STAR
CHEBI:32892 biolink:ChemicalSubstance nonane A straight chain alkane composed of 9 carbon atoms. CAS:111-84-2|Gmelin:240576|HMDB:HMDB0029595|KNApSAcK:C00034882|LIPID_MAPS_instance:LMFA11000579|PMID:23822267|Reaxys:1696917 phenio.json CH3-[CH2]7-CH3|Nonan|n-nonane|nonane http://purl.obolibrary.org/obo/CHEBI_32892 3_STAR
CHEBI:32896 biolink:ChemicalSubstance (2R)-O-phospho-3-sulfolactic acid KEGG:C11536 phenio.json (2R)-2-(phosphonooxy)-3-sulfopropanoic acid|(2R)-2-Phospho-3-sulfolactate|(2R)-Phosphosulfolactate http://purl.obolibrary.org/obo/CHEBI_32896 3_STAR
CHEBI:32897 biolink:ChemicalSubstance 10-deacetyl-2-debenzoylbaccatin III KEGG:C11899 phenio.json 10-Deacetyl-2-debenzoylbaccatin III|10-deacetyl-2-debenzoylbaccatin III|5beta,20-epoxy-1,2alpha,7beta,10beta,13alpha-pentahydroxy-9-oxotax-11-en-4alpha-yl acetate http://purl.obolibrary.org/obo/CHEBI_32897 3_STAR
CHEBI:32898 biolink:ChemicalSubstance baccatin III A tetracyclic diterpenoid isolated from plant species of the genus Taxus. CAS:27548-93-2|KEGG:C11900|PMID:23265441|PMID:24403190|PMID:24696551|Reaxys:1445625|Wikipedia:Baccatin_III phenio.json 5beta,20-epoxy-1,7beta,13alpha-trihydroxy-9-oxotax-11-ene-2alpha,4alpha,10beta-triyl 4,10-diacetate 2-benzoate|Baccatin III|[2aR-(2aalpha,4beta,4abeta,6beta,9alpha,11alpha,12alpha,12aalpha,12balpha)]-6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca(3,4)benz(1,2-b)oxet-5-one|baccatin III http://purl.obolibrary.org/obo/CHEBI_32898 3_STAR
CHEBI:32902 biolink:ChemicalSubstance gibberellin A4 A C19-gibberellin, initially identified in Gibberella fujikuroi and differing from gibberellin A1 by the substitution of the OH at C-7 (gibbane numbering) by H. Beilstein:46820|CAS:468-44-0|DrugBank:DB07815|KEGG:C11864|KNApSAcK:C00000004|LIPID_MAPS_instance:LMPR0104170021|MetaCyc:CPD1F-137|PDBeChem:GA4|PMID:24014872|PMID:24192296|PMID:24232845|Reaxys:46820 phenio.json (1R,2R,5R,8R,9S,10R,11S,12S)-12-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.1(5,8).0(1,10).0(2,8)]heptadecane-9-carboxylic acid|(1S,2S,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid|2beta,4a-dihydroxy-1-methyl-8-methylene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid, 1,4a-lactone|2beta-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid|GA4|GIBBERELLIN A4|Gibberellin A4|gibberellin 4 http://purl.obolibrary.org/obo/CHEBI_32902 3_STAR
CHEBI:32922 biolink:ChemicalSubstance (1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol Beilstein:6084109|CAS:34244-66-1|KEGG:C06589|UM-BBD_compID:c0372 phenio.json (1S,2R)-3-Phenylcyclohexa-3,5-diene-1,2-diol|(1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol|(2R,3S)-3-phenylcyclohexa-3,5-diene-1,2-diol|cis-2,3-dihydro-2,3-dihydroxybiphenyl|cis-2,3-dihydroxy-4-phenylhexa-4,6-diene|cis-3-Phenylcyclohexa-3,5-diene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_32922 3_STAR
CHEBI:32926 biolink:ChemicalSubstance octadecane A straight-chain alkane carrying 18 carbon atoms. CAS:593-45-3|Gmelin:263389|KNApSAcK:C00030879|PMID:9842728|Reaxys:1740138 phenio.json CH3-[CH2]16-CH3|Oktadekan|n-octadecane|octadecane http://purl.obolibrary.org/obo/CHEBI_32926 3_STAR
CHEBI:32940 biolink:ChemicalSubstance hexacosane A straight-chain alkane comprising of 26 carbon atoms. CAS:630-01-3|KNApSAcK:C00030478|LIPID_MAPS_instance:LMFA11000576|MetaCyc:CPD-9763|PMID:23157011|PMID:25125193|Reaxys:1705609 phenio.json CH3-[CH2]24-CH3|hexacosane|n-hexacosane http://purl.obolibrary.org/obo/CHEBI_32940 3_STAR
CHEBI:32943 biolink:ChemicalSubstance octacosane A straight-chain alkane containing 28 carbon atoms. CAS:630-02-4|KNApSAcK:C00034614|LIPID_MAPS_instance:LMFA11000580|MetaCyc:CPD-9765|PMID:17328933|PMID:22263592|Reaxys:1770570 phenio.json CH3-[CH2]26-CH3|n-octacosane|octacosane http://purl.obolibrary.org/obo/CHEBI_32943 3_STAR
CHEBI:32952 biolink:ChemicalSubstance amine A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by hydrocarbyl groups. KEGG:C00706 phenio.json Amin|Amine|Substituted amine|amines http://purl.obolibrary.org/obo/CHEBI_32952 3_STAR
CHEBI:32954 biolink:ChemicalSubstance sodium acetate Beilstein:3595639|CAS:127-09-3|Gmelin:20502|Wikipedia:Sodium_Acetate phenio.json Natriumazetat|acetic acid, sodium salt|anhydrous sodium acetate|sodium acetate|sodium acetate anhydrous http://purl.obolibrary.org/obo/CHEBI_32954 3_STAR
CHEBI:32955 biolink:ChemicalSubstance epoxide Any cyclic ether in which the oxygen atom forms part of a 3-membered ring. KEGG:C00722|PMID:10891060|Wikipedia:Epoxide phenio.json Alkene oxide|Epoxide|Olefin oxide|an epoxide|epoxides http://purl.obolibrary.org/obo/CHEBI_32955 3_STAR
CHEBI:32957 biolink:ChemicalSubstance lysophosphatidic acids Any monoacylglycerol phosphate obtained by hydrolytic removal of one of the two acyl groups of any phosphatidic acid or derivatives therein. Wikipedia:Lysophosphatidic_acid phenio.json http://purl.obolibrary.org/obo/CHEBI_32957 3_STAR
CHEBI:32958 biolink:ChemicalSubstance phosphate group An inorganic group obtained by removal of one of the hydroxy groups from phosphoric acid. phenio.json (HO)2P(O)-O-|-O-P(O)(OH)2|phosphonooxy|phosphonooxy group|phosphooxy group http://purl.obolibrary.org/obo/CHEBI_32958 3_STAR
CHEBI:32963 biolink:ChemicalSubstance amidinoproclavaminic acid Beilstein:6148541|KEGG:C06657 phenio.json (2S,3R)-5-carbamimidamido-3-hydroxy-2-(2-oxoazetidin-1-yl)pentanoic acid|Amidinoproclavaminate|Guanidinoproclavaminate|Guanidinoproclavaminic acid http://purl.obolibrary.org/obo/CHEBI_32963 3_STAR
CHEBI:32964 biolink:ChemicalSubstance ornithinate Gmelin:1242186 phenio.json 2,5-diaminopentanoate|ornithinate|ornithine anion http://purl.obolibrary.org/obo/CHEBI_32964 3_STAR
CHEBI:32966 biolink:ChemicalSubstance beta-D-fructofuranose 1,6-bisphosphate(4-) A D-fructofuranose 1,6-bisphosphate(4-) that is the conjugate base of beta-D-fructofuranose 1,6-bisphosphate. Beilstein:7104287 phenio.json 1,6-di-O-phosphonato-beta-D-fructofuranose|beta-D-fructofuranose 1,6-bisphosphate|beta-D-fructose 1,6-bisphosphate http://purl.obolibrary.org/obo/CHEBI_32966 3_STAR
CHEBI:32969 biolink:ChemicalSubstance D-lombricine KEGG:C01726 phenio.json D-Lombricine|O(3)-([2-guanidinoethoxy]phosphono)-D-serine|O-{[2-(carbamimidamido)ethoxy](hydroxy)phosphoryl}-D-serine http://purl.obolibrary.org/obo/CHEBI_32969 3_STAR
CHEBI:32970 biolink:ChemicalSubstance 2-aminoethanesulfonate A 1,1-diunsubstituted alkanesulfonate that is ethanesulfonate substituted by an amino group at position 2. Reaxys:3588289 phenio.json 2-aminoethanesulfonate http://purl.obolibrary.org/obo/CHEBI_32970 3_STAR
CHEBI:32976 biolink:ChemicalSubstance 2,3,4,5-tetrahydrodipicolinic acid An amino dicarboxylic acid consisting of 2,3,4,5-tetrahydrodipyridine having two carboxy groups at the 2- and 6-positions. CAS:2353-17-5|ECMDB:ECMDB12289|HMDB:HMDB0012289|PMID:21633707|Reaxys:391974 phenio.json 2,3,4,5-tetrahydro-2,6-pyridinedicarboxylic acid|2,3,4,5-tetrahydropyridine-2,6-dicarboxylic acid|THDPA http://purl.obolibrary.org/obo/CHEBI_32976 3_STAR
CHEBI:32978 biolink:ChemicalSubstance (R)-3-phenyllactic acid A 3-phenyllactic acid that has (R)-configuration at the 2 position. Beilstein:2209793|CAS:7326-19-4|KEGG:C05607|KNApSAcK:C00000150 phenio.json (2R)-2-hydroxy-3-phenylpropanoic acid|(R)-Phenyllactate|D-3-phenyllactic acid http://purl.obolibrary.org/obo/CHEBI_32978 3_STAR
CHEBI:32979 biolink:ChemicalSubstance (S)-3-phenyllactate A (2S)-2-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (S)-3-phenyllactic acid. Reaxys:5740554 phenio.json (2S)-2-hydroxy-3-phenylpropanoate http://purl.obolibrary.org/obo/CHEBI_32979 3_STAR
CHEBI:32980 biolink:ChemicalSubstance phloretic acid A hydroxy monocarboxylic acid consisting of propionic acid having a 4-hydroxyphenyl group at the 3-position. CAS:501-97-3|DrugBank:DB03897|HMDB:HMDB0002199|KEGG:C01744|KNApSAcK:C00029471|PDBeChem:HPP|PMID:1623136|PMID:16656273|PMID:17190852|PMID:19176242|PMID:21109029|PMID:21141880|PMID:5354935|PMID:6531939|Reaxys:2209841 phenio.json 3-(4-Hydroxyphenyl)propionic acid|3-(4-hydroxyphenyl)propanoic acid|3-(p-hydroxyphenyl)propionic acid|4-Hydroxyphenylpropionic acid|Dihydro-p-coumaric acid|HYDROXYPHENYL PROPIONIC ACID|Phloretic acid|Phloretinic acid|beta-(p-hydroxyphenyl)propionic acid|desaminotyrosine|p-Hydroxyhydrocinnamic acid|p-hydroxyphenylpropionic acid http://purl.obolibrary.org/obo/CHEBI_32980 3_STAR
CHEBI:32988 biolink:ChemicalSubstance amide An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. KEGG:C00241 phenio.json Amide|amides http://purl.obolibrary.org/obo/CHEBI_32988 3_STAR
CHEBI:32989 biolink:ChemicalSubstance N(omega)-phosphohypotaurocyamine KEGG:C03624 phenio.json 2-(phosphonocarbamimidamido)ethanesulfinic acid|N(omega)-Phosphohypotaurocyamine|N-Phosphohypotaurocyamine http://purl.obolibrary.org/obo/CHEBI_32989 3_STAR
CHEBI:33007 biolink:ChemicalSubstance chromium(6+) CAS:18540-29-9|Gmelin:54876|PMID:36047233|PMID:37532536|PMID:37717806 phenio.json Chromium (Cr(6+))|Chromium hexavalent ion|Chromium ion(6+)|Cr(6+)|chromium hexavalent ion|chromium(6+)|chromium(6+) ion|chromium(VI)|chromium(VI) cation|chromium(VI) ion|hexavalent chromium ion http://purl.obolibrary.org/obo/CHEBI_33007 3_STAR
CHEBI:33017 biolink:ChemicalSubstance diphosphate(1-) A monovalent inorganic anion obtained by deprotonation of one of the phosphate OH groups in diphosphoric acid. Gmelin:185086 phenio.json H3P2O7(-)|trihydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_33017 3_STAR
CHEBI:33019 biolink:ChemicalSubstance diphosphate(3-) A trivalent inorganic anion obtained by removal of all three protons from diphosphoric acid. Beilstein:185088 phenio.json HP2O7(3-)|diphosphate|hydrogen diphosphate http://purl.obolibrary.org/obo/CHEBI_33019 3_STAR
CHEBI:3306 biolink:ChemicalSubstance calcitonin A 32-membered heterodetic cyclic peptide comprising the sequence Cys-Ser-Asn-Leu-Ser-Thr-Cys-Val-Leu-Gly-Lys-Leu-Ser-Gln-Glu-Leu-His-Lys-Leu-Gln-Thr-Tyr-Pro-Arg-Thr-Asn-Thr-Gly-Ser-Gly-Thr-Pro-NH2 cyclised by a disulfide bridge between the two Cys residues at positions 1 and 7. CAS:47931-85-1|CAS:9007-12-9|DrugBank:DB00017|Drug_Central:2989|KEGG:C06865|KEGG:D00249|Reaxys:8186880|Wikipedia:Calcitonin phenio.json Calcitonin|Calcitonin, salmon|Cibacalcin|N-{[(4R,7S,10S,13S,16S,19S,22R)-22-amino-16-(2-amino-2-oxoethyl)-7-[(1R)-1-hydroxyethyl]-10,19-bis(hydroxymethyl)-13-isobutyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaazacyclotricosan-4-yl]carbonyl}-L-valyl-L-leucylglycyl-L-lysyl-L-leucyl-L-seryl-L-glutaminyl-L-alpha-glutamyl-L-leucyl-L-histidyl-L-lysyl-L-leucyl-L-glutaminyl-L-threonyl-L-tyrosyl-L-prolyl-L-arginyl-L-threonyl-L-asparaginyl-L-threonylglycyl-L-serylglycyl-L-threonyl-L-prolinamide|Salmon calcitonin|Salmon calcitonin-(1-32)|Salmotonin|Thyrocalcitonin (salmon)|calcitonin|cyclo-[Cys-Ser-Asn-Leu-Ser-Thr-Cys]-Val-Leu-Gly-Lys-Leu-Ser-Gln-Glu-Leu-His-Lys-Leu-Gln-Thr-Tyr-Pro-Arg-Thr-Asn-Thr-Gly-Ser-Gly-Thr-Pro-NH2 http://purl.obolibrary.org/obo/CHEBI_3306 3_STAR
CHEBI:33070 biolink:ChemicalSubstance indole-3-butyric acid A indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1. BPDB:1465|Beilstein:171120|CAS:133-32-4|DrugBank:DB02740|Gmelin:143637|HMDB:HMDB0002096|KEGG:C11284|KNApSAcK:C00000116|PDBeChem:3IB|PMID:23201417|PMID:23795714|Reaxys:171120|Wikipedia:Indole-3-butyric_acid phenio.json 1H-indole-3-butanoic acid|3-INDOLEBUTYRIC ACID|3-indolyl-gamma-butyric acid|4-(1H-indol-3-yl)butanoic acid|4-(indol-3-yl)butyric acid|4-indol-3-ylbutyric acid|IBA|Indole-3-butyric acid|Indolebutyric acid|Seradix|indole-3-butanoic acid|indole-3-butyric acid http://purl.obolibrary.org/obo/CHEBI_33070 3_STAR
CHEBI:33076 biolink:ChemicalSubstance D-mannonic acid The D-stereoisomer of mannonic acid. CAS:642-99-9|KEGG:C00514|PDBeChem:CS2|Reaxys:1726053 phenio.json D-Mannonate|D-mannonic acid http://purl.obolibrary.org/obo/CHEBI_33076 3_STAR
CHEBI:33082 biolink:ChemicalSubstance phenalene Beilstein:1858040|CAS:203-80-5|Gmelin:747032 phenio.json 1H-benzonaphthene|1H-phenalene|perinaphthene|phenalene http://purl.obolibrary.org/obo/CHEBI_33082 3_STAR
CHEBI:33083 biolink:ChemicalSubstance fluoranthene An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring. CAS:206-44-0|Gmelin:262216|KEGG:C19425|MetaCyc:CPD-15564|PMID:15278918|PMID:17258277|PMID:23943046|PMID:24151025|Reaxys:1907918|Wikipedia:Fluoranthene phenio.json benzo[jk]fluorene|fluoranthene http://purl.obolibrary.org/obo/CHEBI_33083 3_STAR
CHEBI:3309 biolink:ChemicalSubstance calcium gluconate The calcium salt of D-gluconic acid. CAS:299-28-5|Chemspider:8932|DrugBank:DB11126|FooDB:FDB001981|KEGG:C08133|KEGG:D00935|PMCID:PMC6897563|PMID:28390833|PMID:28943828|PMID:29804426|PMID:29927835|PMID:30115381|PMID:30127880|PMID:30341646|PMID:30591339|PMID:30673128|PMID:31083901|PMID:31274899|PMID:31400150|PMID:32188492|PMID:32944434|PMID:32952031|PMID:33145844|PMID:33737602|PMID:33781234|PMID:33865576|Wikipedia:Calcium_gluconate phenio.json D-gluconic acid calcium salt|D-gluconic acid, calcium salt|calcium D-gluconate|calcium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)|calcium di(D-gluconate)|calcium gluconate|gluconate de calcium|gluconato di calcio|gluconic acid calcium salt|gluconic acid, calcium salt http://purl.obolibrary.org/obo/CHEBI_3309 3_STAR
CHEBI:33094 biolink:ChemicalSubstance (S)-3-aminoisobutyric acid Beilstein:2409583|KEGG:C03284|PDBeChem:62H phenio.json (2S)-3-amino-2-methylpropanoic acid|(S)-3-amino-2-methylpropanoic acid|(S)-3-amino-isobutanoic acid|(S)-3-amino-isobutyric acid|(S)-beta-aminoisobutyric acid|L-3-amino-isobutanoic acid|L-3-amino-isobutyric acid http://purl.obolibrary.org/obo/CHEBI_33094 3_STAR
CHEBI:33101 biolink:ChemicalSubstance nitrogen dioxide CAS:10102-44-0|Gmelin:976|MolBase:939|PDBeChem:2NO phenio.json (NO2)(.)|NITROGEN DIOXIDE|NO2|NO2(.)|ONO(.)|Stickstoffdioxid|[NO2]|dioxidonitrogen(.)|nitrogen dioxide|nitrogen(IV) oxide|nitrosooxidanyl|nitryl http://purl.obolibrary.org/obo/CHEBI_33101 3_STAR
CHEBI:3311 biolink:ChemicalSubstance calcium carbonate A calcium salt with formula CCaO3. BPDB:108|CAS:471-34-1|DrugBank:DB06724|KEGG:C08129|KEGG:D00932|PPDB:108|Reaxys:8008338|Wikipedia:Calcium_carbonate phenio.json CaCO3|Calcium carbonate|Calciumcarbonat|E 170|Kalziumkarbonat|Precipitated calcium carbonate|calcium carbonate|calcium carbonate (1:1)|calcium trioxidocarbonate|carbonate de calcium|carbonato de calcio|carbonic acid calcium salt (1:1)|kohlensaurer Kalk http://purl.obolibrary.org/obo/CHEBI_3311 3_STAR
CHEBI:33113 biolink:ChemicalSubstance tetrathionate(1-) Gmelin:327222 phenio.json 3-hydroxytrisulfane-1-sulfonate 3,3-dioxide|hydrogen tetrathionate http://purl.obolibrary.org/obo/CHEBI_33113 3_STAR
CHEBI:33118 biolink:ChemicalSubstance boric acid BPDB:2136|CAS:10043-35-3|CAS:11113-50-1|Drug_Central:3035|Gmelin:1585|KEGG:C12486|KEGG:D01089|MolBase:1644|PDBeChem:BO3|PPDB:2136 phenio.json B(OH)3|BORIC ACID|Boric acid|H3BO3|[B(OH)3]|boric acid|boron trihydroxide|orthoboric acid|trihydroxidoboron http://purl.obolibrary.org/obo/CHEBI_33118 3_STAR
CHEBI:33127 biolink:ChemicalSubstance sulfadiazinate Beilstein:4148387|Gmelin:332468 phenio.json [(4-aminophenyl)sulfonyl](pyrimidin-2-yl)azanide http://purl.obolibrary.org/obo/CHEBI_33127 3_STAR
CHEBI:33128 biolink:ChemicalSubstance C60 fullerene CAS:99685-96-8|Chemspider:110185|Gmelin:100331|PMID:22498298|PMID:25118710|Reaxys:5901022 phenio.json (C60-Ih)[5,6]fullerene|Buckminsterfulleren|Buckyball|[5,6]fullerene-C60-Ih|[60-Ih]fullerene|[60]fullerene|buckminsterfulereno|buckminsterfullerene|footballene|fullerene 60|fullerene C60|soccerballene http://purl.obolibrary.org/obo/CHEBI_33128 3_STAR
CHEBI:33130 biolink:ChemicalSubstance aluminium hydroxide CAS:21645-51-2|Drug_Central:4250|Gmelin:22216|KEGG:C13391|KEGG:D02859|Wikipedia:Aluminum_Hydroxide phenio.json Al(OH)3|Aluminiumhydroxid|Aluminum hydroxide|aluminium(3+) hydroxide|aluminium(III) hydroxide|trihydroxidoaluminium http://purl.obolibrary.org/obo/CHEBI_33130 3_STAR
CHEBI:33135 biolink:ChemicalSubstance pyrrolidine A cyclic amine whose five-membered ring contains four carbon atoms and one nitrogen atom; the parent compound of the pyrrolidine family. Beilstein:102395|CAS:123-75-1|Chemspider:29008|FooDB:FDB007401|Gmelin:1704|HMDB:HMDB0031641|PDBeChem:VES|PMID:1221030|PMID:18838771|PMID:20024446 phenio.json 1-azacyclopentane|azacyclopentane|azolidine|butylenimine|perhydropyrrole|prolamine|pyrrolidine|tetrahydropyrrole|tetramethylenimine http://purl.obolibrary.org/obo/CHEBI_33135 3_STAR
CHEBI:33140 biolink:ChemicalSubstance pyrazolium Beilstein:1560992|Beilstein:6917432|Gmelin:323116 phenio.json 1H-pyrazol-2-ium|H2pz(+) http://purl.obolibrary.org/obo/CHEBI_33140 3_STAR
CHEBI:33141 biolink:ChemicalSubstance dichromate(2-) A divalent inorganic anion obtained by removal of both protons from dichromic acid. CAS:13907-47-6|Gmelin:26867 phenio.json Cr2O7(2-)|Dichromat|[Cr2O7](2-)|bichromate|dichromate|dichromate ion(2-)|dichromate(2-)|mu-oxido-bis(trioxidochromate)(2-)|mu-oxo-hexaoxodichromate(2-)|mu-oxo-hexaoxodichromate(VI) http://purl.obolibrary.org/obo/CHEBI_33141 3_STAR
CHEBI:33142 biolink:ChemicalSubstance hydrogen dichromate A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in dichromic acid. Gmelin:130921 phenio.json HCr2O7(-)|[(HO)Cr(O)2OCr(O)3](-)|hydrogen dichromate|hydrogen(heptaoxidodichromate)(1-) http://purl.obolibrary.org/obo/CHEBI_33142 3_STAR
CHEBI:33143 biolink:ChemicalSubstance chromic acid CAS:7738-94-5|Gmelin:25982 phenio.json H2CrO4|[CrO2(OH)2]|chromic acid|chromic(VI) acid|dihydrogen(tetraaoxidochromate)|dihydroxidodioxidochromium|tetraoxochromic acid http://purl.obolibrary.org/obo/CHEBI_33143 3_STAR
CHEBI:33144 biolink:ChemicalSubstance hydrogenchromate A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in chromic acid. Gmelin:81997 phenio.json HCrO4(-)|[CrO3(OH)](-)|hydrogen chromate|hydrogen(tetraoxidochromate)(1-)|hydroxidodioxidochromate(1-) http://purl.obolibrary.org/obo/CHEBI_33144 3_STAR
CHEBI:33145 biolink:ChemicalSubstance boron oxoacid phenio.json boron oxoacid|boron oxoacids|oxoacids of boron http://purl.obolibrary.org/obo/CHEBI_33145 3_STAR
CHEBI:33146 biolink:ChemicalSubstance vanadyl sulfate CAS:27774-13-6|Gmelin:18096|Wikipedia:Vanadyl_sulfate phenio.json oxidovanadium(2+) sulfate|oxo[sulfato(2-)-O]-vanadium|oxo[sulfato(2-)-kappaO]-vanadium|oxovanadium(2+) sulfate|vanadic sulfate|vanadin(IV) oxide sulfate|vanadium oxide sulphate|vanadium oxysulfate http://purl.obolibrary.org/obo/CHEBI_33146 3_STAR
CHEBI:33161 biolink:ChemicalSubstance cis-obtusilate A medium-chain fatty acid anion and the conjugate base of obtusilic acid, arising from deprotonation of the carboxylic acid group. phenio.json (4Z)-dec-4-enoate|(Z)-4-decenoate|cis-4-decenoate|cis-Delta(4)-decenoate|dec-4c-enoate http://purl.obolibrary.org/obo/CHEBI_33161 3_STAR
CHEBI:33167 biolink:ChemicalSubstance sodium iodide A metal iodide salt with a Na(+) counterion. CAS:7681-82-5|Gmelin:13715|KEGG:C14042|KEGG:D04874 phenio.json NaI|Sodium monoiodide|sodium iodide http://purl.obolibrary.org/obo/CHEBI_33167 3_STAR
CHEBI:331697 biolink:ChemicalSubstance atomoxetine hydrochloride The hydrochloride salt of atomoxetine. Beilstein:5318974|CAS:82248-59-7|DrugBank:DB00289|KEGG:D02574 phenio.json (-)-N-Methyl-3-phenyl-3-(o-tolyloxy)propylamine hydrochloride|(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine hydrochloride|(R)-(-)-Tomoxetine hydrochloride|(R)-Tomoxetine hydrochloride|Atomoxetine HCl|Tomoxetine hydrochloride|atomoxetine|tomoxetine http://purl.obolibrary.org/obo/CHEBI_331697 3_STAR
CHEBI:33173 biolink:ChemicalSubstance benzimidazolide Beilstein:3904522|Gmelin:326519 phenio.json benzimidazol-1-ide|bim|bzim http://purl.obolibrary.org/obo/CHEBI_33173 3_STAR
CHEBI:33184 biolink:ChemicalSubstance long-chain fatty acyl-CoA A fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any long-chain (C13 to C22) fatty acid. KEGG:C02843|PMID:10224157|PMID:14516204|PMID:16357361|PMID:17652214|PMID:19170545|PMID:19679826 phenio.json LCFA-CoA|LCFA-CoAs|LCFA-coenzyme A|LCFA-coenzyme As|Long-chain acyl-CoA|long-chain fatty acyl-CoAs|long-chain fatty acyl-coenzyme A|long-chain fatty acyl-coenzyme As http://purl.obolibrary.org/obo/CHEBI_33184 3_STAR
CHEBI:33186 biolink:ChemicalSubstance malononitrile A dinitrile that is methane substituted by two cyano groups. CAS:109-77-3|Gmelin:1303|PMID:24683341|Reaxys:773697|Wikipedia:Malononitrile phenio.json Malonsaeuredinitril|dicyanmethane|dicyanomethane|malononitrile|propanedinitrile http://purl.obolibrary.org/obo/CHEBI_33186 3_STAR
CHEBI:33187 biolink:ChemicalSubstance oxomalononitrile Beilstein:1699394|CAS:1115-12-4|Gmelin:217598 phenio.json NC-CO-CN|carbonyl dicyanide|mesoxalonitrile|oxomalononitrile|oxopropanedinitrile http://purl.obolibrary.org/obo/CHEBI_33187 3_STAR
CHEBI:33189 biolink:ChemicalSubstance hydrazonomalononitrile Beilstein:1903731 phenio.json NC-C(=NNH2)-CN|carbonohydrazonoyl dicyanide http://purl.obolibrary.org/obo/CHEBI_33189 3_STAR
CHEBI:33190 biolink:ChemicalSubstance 3-oxopropanoate Gmelin:1997238|KEGG:C00222|UM-BBD_compID:c0287 phenio.json 3-oxopropanoate|formylacetate|malonic semialdehyde http://purl.obolibrary.org/obo/CHEBI_33190 3_STAR
CHEBI:33192 biolink:ChemicalSubstance sodium cyanide A cyanide salt containing equal numbers of sodium cations and cyanide anions. Beilstein:3587243|CAS:143-33-9|Gmelin:1041163|KEGG:C18673|PMID:12782041|PMID:19831452|PMID:22710495|PMID:25895263|Wikipedia:Sodium_cyanide phenio.json NaCN|Natriumcyanid|Natriumzyanid|cyanide of sodium|sodium cyanide http://purl.obolibrary.org/obo/CHEBI_33192 3_STAR
CHEBI:33196 biolink:ChemicalSubstance (3R)-3-hydroxy-L-aspartate(2-) A C4-dicarboxylate obtained by deprotonation of both carboxy groups of 3-hydroxy-L-aspartic acid. KEGG:C03961 phenio.json (2S,3R)-2-amino-3-hydroxybutanedioate|(3R)-3-hydroxy-L-aspartate|erythro-3-Hydroxy-L-aspartate|erythro-3-hydroxy-Ls-aspartate http://purl.obolibrary.org/obo/CHEBI_33196 3_STAR
CHEBI:33197 biolink:ChemicalSubstance (R)-10-hydroxyoctadecanoic acid A hydroxy fatty acid that is octadecanoic acid (stearic acid) in which the pro-R hydrogen has been replaced by a hydroxy group. CAS:638-26-6|KEGG:C03195|LIPID_MAPS_instance:LMFA02000237|Reaxys:6720081 phenio.json (10R)-10-hydroxyoctadecanoic acid|(10R)-10-hydroxystearic acid http://purl.obolibrary.org/obo/CHEBI_33197 3_STAR
CHEBI:33198 biolink:ChemicalSubstance D-gluconic acid A gluconic acid having D-configuration. CAS:526-95-4|Drug_Central:3264|Gmelin:83545|HMDB:HMDB0000625|KEGG:C00257|KNApSAcK:C00007303|MetaCyc:GLUCONATE|PDBeChem:GCO|PMID:11777404|PMID:17439666|PMID:19577953|PMID:20222845|PMID:21086198|PMID:21424687|PMID:21819772|PMID:22352719|PMID:22541639|PMID:22688246|PMID:22770225|PMID:24024763|Reaxys:1726055|Wikipedia:Gluconic_acid phenio.json (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid|D-Gluconic acid|D-Gluconsaeure|D-Glukonsaeure|D-gluco-Hexonic acid|D-gluconic acid|Dextronic acid|GLUCONIC ACID|Gluconic acid|Glycogenic acid|Hexonic acid|Maltonic acid http://purl.obolibrary.org/obo/CHEBI_33198 3_STAR
CHEBI:33199 biolink:ChemicalSubstance propynoic acid A terminal acetylenic compound that is a 3-carbon, straight-chain, monounsaturated fatty acid having one acetylenic bond. CAS:471-25-0|Gmelin:81893|HMDB:HMDB0006804|KEGG:C00804|PMID:10564044|PMID:10814124|PMID:11052721|PMID:21443194|Reaxys:878176 phenio.json 2-propynoic acid|Acetylenecarboxylic acid|HC#CCOOH|Propinsaeure|Propiolic acid|Propiolsaeure|acetylenic acid|carboxyacetylene|prop-2-ynoic acid|propargylic acid|propinic acid http://purl.obolibrary.org/obo/CHEBI_33199 3_STAR
CHEBI:33202 biolink:ChemicalSubstance 2-thiobarbituric acid A barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur. CAS:504-17-6|Gmelin:101333|PMID:18401456|PMID:22467201|PMID:22506924|PMID:23411186|PMID:23523734|PMID:23792287|PMID:23832025|PMID:23896130|PMID:3654008|Reaxys:120663|Wikipedia:Thiobarbituric_acid phenio.json 2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione|2-thioxodihydropyrimidine-4,6(1H,5H)-dione|dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione|thiobarbituric acid http://purl.obolibrary.org/obo/CHEBI_33202 3_STAR
CHEBI:33203 biolink:ChemicalSubstance (Z)-24-ethylidenelophenol Beilstein:3222151|CAS:11040-28-1|CAS:474-40-8|KNApSAcK:C00007321|LIPID_MAPS_instance:LMST01040144 phenio.json (24Z)-4alpha-methyl-5alpha-stigmasta-7,24(28)-dien-3beta-ol|(3beta,5alpha)-4-methylstigmasta-7,24(28)-dien-3-ol|(Z)-24-Ethylidenelophenol|(Z)-24-ethylidenelophenol|alpha1-Sitosterol http://purl.obolibrary.org/obo/CHEBI_33203 3_STAR
CHEBI:33216 biolink:ChemicalSubstance bisphenol A A bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. CAS:80-05-7|DrugBank:DB06973|HMDB:HMDB0032133|KEGG:C13624|LINCS:LSM-37080|PDBeChem:2OH|PMID:10593191|PMID:11361040|PMID:12860292|PMID:15936980|PMID:16904728|PMID:24471646|PMID:25042713|PMID:25148994|PMID:25524584|PMID:25569640|PMID:25637671|PMID:25663485|Reaxys:1107700|UM-BBD_compID:c0764|Wikipedia:Bisphenol_A phenio.json 2, 2-Bis(4-hydroxyphenyl)propane|2,2-Bis(4'-hydroxyphenyl)propane|2,2-Bis(4-Hydroxyphenyl)propane|2,2-Bis(p-hydroxyphenyl)propane|2,2-Di(4-hydroxyphenyl)propane|2,2-Di(4-phenylol)propane|4,4'-(1-Methylethane-1,1-diyl)diphenol|4,4'-(1-Methylethylidene)bisphenol|4,4'-(Propane-2,2-diyl)diphenol|4,4'-(propane-2,2-diyl)diphenol|4,4'-Bisphenol A|4,4'-Isopropylidenediphenol|BPA|Bisphenol A|Dianin's compound|bisphenol A|bisphenol-A http://purl.obolibrary.org/obo/CHEBI_33216 3_STAR
CHEBI:33221 biolink:ChemicalSubstance corrin A tetrapyrrole fundamental parent that is the core macrocycle of vitamin B12. CAS:262-76-0|Reaxys:576248|Wikipedia:Corrin phenio.json Crn|Korrin|corrin|corrina|corrine http://purl.obolibrary.org/obo/CHEBI_33221 3_STAR
CHEBI:33224 biolink:ChemicalSubstance chromane A benzopyran consisting of a pyran ring having a benzene ring ortho-fused across positions 2 and 3. CAS:493-08-3|Gmelin:122981|Reaxys:116150 phenio.json 3,4-dihydro-2H-1-benzopyran|3,4-dihydro-2H-chromene|3,4-dihydrobenzo[b]pyran|Chroman|chromane http://purl.obolibrary.org/obo/CHEBI_33224 3_STAR
CHEBI:33227 biolink:ChemicalSubstance (E)-cinnamyl alcohol The E (trans) stereoisomer of cinnamyl alcohol. CAS:104-54-1|CAS:4407-36-7|Gmelin:261108|HMDB:HMDB0029698|KEGG:C02394|MetaCyc:CINNAMYL-ALC|PMID:20431333|PMID:20940038|Reaxys:741973|Wikipedia:Cinnamyl_alcohol phenio.json (2E)-3-phenylprop-2-en-1-ol|(E)-3-phenyl-2-propen-1-ol|(E)-cinnamyl alcohol|3-Phenyl-2-propen-1-ol|Styrylcarbinol http://purl.obolibrary.org/obo/CHEBI_33227 3_STAR
CHEBI:33229 biolink:ChemicalSubstance vitamin (role) A biochemical role played by any micronutrient that is an organic compound. Vitamins are present in foods in small amounts and are essential to normal metabolism and biochemical functions, usually as coenzymes. The term "vitamines" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines. Wikipedia:Vitamin phenio.json vitamin|vitamina|vitaminas|vitamine|vitamines|vitamins|vitaminum http://purl.obolibrary.org/obo/CHEBI_33229 3_STAR
CHEBI:33231 biolink:ChemicalSubstance antitubercular agent A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis. phenio.json antitubercular|antitubercular agents|antitubercular drug|antitubercular drugs|tuberculostatic agent http://purl.obolibrary.org/obo/CHEBI_33231 3_STAR
CHEBI:33232 biolink:ChemicalSubstance application Intended use of the molecular entity or part thereof by humans. phenio.json http://purl.obolibrary.org/obo/CHEBI_33232 3_STAR
CHEBI:33233 biolink:ChemicalSubstance fundamental particle A particle not known to have substructure. phenio.json elementary particle|elementary particles http://purl.obolibrary.org/obo/CHEBI_33233 3_STAR
CHEBI:33234 biolink:ChemicalSubstance vitamin E Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen. MetaCyc:Vitamin-E|PMID:33684201|PMID:33847203|PMID:33896432|PMID:34277234|PMID:34278890|PMID:7898412|PMID:7901680|Wikipedia:Vitamin_E phenio.json vitamin E|vitamin E vitamer|vitamin E vitamers|vitamin-E|vitamins E http://purl.obolibrary.org/obo/CHEBI_33234 3_STAR
CHEBI:33235 biolink:ChemicalSubstance tocotrienol A tocol in which the hydrocarbon chain at position 2 contains three double bonds. CAS:6829-55-6|PMID:15671205|PMID:18997413|Reaxys:19981754|Wikipedia:Tocotrienol phenio.json tocotrienol|tocotrienols http://purl.obolibrary.org/obo/CHEBI_33235 3_STAR
CHEBI:33237 biolink:ChemicalSubstance vitamin D4 It is present in mushrooms. AGR:IND601134157|AGR:IND605677191|Beilstein:3221782|CAS:511-28-4|Chemspider:4574179|KEGG:C18192|LIPID_MAPS_instance:LMST03030001|PMID:22870201|PMID:24295670|PMID:24494050|PMID:27323764|PMID:34181690|Wikipedia:22-Dihydroergocalciferol phenio.json (24S)-methylcalciol|(3S)-9,10-seco-5Z,7E,10(19)-ergostatrien-3-ol|(3S,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol|(3beta,5Z,7E)-9,10-secoergosta-5,7,10(19)-trien-3-ol|(5Z,7E)-(3S)-9,10-Seco-5,7,10(19)-ergostatrien-3-ol|(5Z,7E)-(3S)-9,10-secoergosta-5,7,10(19)-trien-3-ol|22,23-dihydroercalciol|22,23-dihydroergocalciferol|22-Dihydroergocalciferol|24S-methylcalciol|Vitamin D4|vitamin D4 http://purl.obolibrary.org/obo/CHEBI_33237 3_STAR
CHEBI:33238 biolink:ChemicalSubstance monoatomic entity A monoatomic entity is a molecular entity consisting of a single atom. phenio.json atomic entity|monoatomic entities http://purl.obolibrary.org/obo/CHEBI_33238 3_STAR
CHEBI:33240 biolink:ChemicalSubstance coordination entity An assembly consisting of a central atom (usually metallic) to which is attached a surrounding array of other groups of atoms (ligands). phenio.json coordination compounds|coordination entities|coordination entity http://purl.obolibrary.org/obo/CHEBI_33240 3_STAR
CHEBI:33241 biolink:ChemicalSubstance oxoacid derivative phenio.json oxoacid derivatives http://purl.obolibrary.org/obo/CHEBI_33241 3_STAR
CHEBI:33242 biolink:ChemicalSubstance inorganic hydride phenio.json inorganic hydrides http://purl.obolibrary.org/obo/CHEBI_33242 3_STAR
CHEBI:33245 biolink:ChemicalSubstance organic fundamental parent An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system. phenio.json organic fundamental parents|organic parent hydrides http://purl.obolibrary.org/obo/CHEBI_33245 3_STAR
CHEBI:33246 biolink:ChemicalSubstance inorganic group Any substituent group which does not contain carbon. phenio.json inorganic groups http://purl.obolibrary.org/obo/CHEBI_33246 3_STAR
CHEBI:33247 biolink:ChemicalSubstance organic group Any substituent group or skeleton containing carbon. phenio.json organic groups http://purl.obolibrary.org/obo/CHEBI_33247 3_STAR
CHEBI:33248 biolink:ChemicalSubstance hydrocarbyl group A univalent group formed by removing a hydrogen atom from a hydrocarbon. phenio.json groupe hydrocarbyle|grupo hidrocarbilo|grupos hidrocarbilo|hydrocarbyl group|hydrocarbyl groups http://purl.obolibrary.org/obo/CHEBI_33248 3_STAR
CHEBI:33249 biolink:ChemicalSubstance organyl group Any organic substituent group, regardless of functional type, having one free valence at a carbon atom. phenio.json groupe organyle|grupo organilo|grupos organilo|organyl group|organyl groups http://purl.obolibrary.org/obo/CHEBI_33249 3_STAR
CHEBI:33250 biolink:ChemicalSubstance atom A chemical entity constituting the smallest component of an element having the chemical properties of the element. phenio.json atom|atome|atomo|atoms|atomus|element|elements http://purl.obolibrary.org/obo/CHEBI_33250 3_STAR
CHEBI:33251 biolink:ChemicalSubstance monoatomic hydrogen phenio.json atomic hydrogen http://purl.obolibrary.org/obo/CHEBI_33251 3_STAR
CHEBI:33252 biolink:ChemicalSubstance atomic nucleus A nucleus is the positively charged central portion of an atom, excluding the orbital electrons. phenio.json Atomkern|Kern|noyau|noyau atomique|nuclei|nucleo|nucleo atomico|nucleus|nucleus atomi http://purl.obolibrary.org/obo/CHEBI_33252 3_STAR
CHEBI:33253 biolink:ChemicalSubstance nucleon Heavy nuclear particle: proton or neutron. phenio.json Nukleon|Nukleonen|nucleon|nucleons http://purl.obolibrary.org/obo/CHEBI_33253 3_STAR
CHEBI:33255 biolink:ChemicalSubstance alkylmercury compound KEGG:C01343|KEGG:C01886 phenio.json Alkylmercury|Alkylmercury ion|RHg+|alkylmercury compounds http://purl.obolibrary.org/obo/CHEBI_33255 3_STAR
CHEBI:33256 biolink:ChemicalSubstance primary amide A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. phenio.json primary amide|primary amides http://purl.obolibrary.org/obo/CHEBI_33256 3_STAR
CHEBI:33257 biolink:ChemicalSubstance secondary amide A derivative of two oxoacids RkE(=O)l(OH)m (l =/= 0) in which two acyl groups are attached to the amino or substituted amino group. phenio.json secondary amide|secondary amides http://purl.obolibrary.org/obo/CHEBI_33257 3_STAR
CHEBI:33259 biolink:ChemicalSubstance elemental molecular entity A molecular entity all atoms of which have the same atomic number. phenio.json homoatomic entity|homoatomic molecular entities|homoatomic molecular entity http://purl.obolibrary.org/obo/CHEBI_33259 3_STAR
CHEBI:33260 biolink:ChemicalSubstance elemental hydrogen phenio.json http://purl.obolibrary.org/obo/CHEBI_33260 3_STAR
CHEBI:33261 biolink:ChemicalSubstance organosulfur compound An organosulfur compound is a compound containing at least one carbon-sulfur bond. Wikipedia:Organosulfur_compounds phenio.json organosulfur compound|organosulfur compounds http://purl.obolibrary.org/obo/CHEBI_33261 3_STAR
CHEBI:33262 biolink:ChemicalSubstance elemental oxygen phenio.json http://purl.obolibrary.org/obo/CHEBI_33262 3_STAR
CHEBI:33263 biolink:ChemicalSubstance diatomic oxygen phenio.json http://purl.obolibrary.org/obo/CHEBI_33263 3_STAR
CHEBI:33265 biolink:ChemicalSubstance triatomic oxygen phenio.json http://purl.obolibrary.org/obo/CHEBI_33265 1_STAR
CHEBI:33266 biolink:ChemicalSubstance diatomic nitrogen phenio.json http://purl.obolibrary.org/obo/CHEBI_33266 3_STAR
CHEBI:33267 biolink:ChemicalSubstance elemental nitrogen phenio.json http://purl.obolibrary.org/obo/CHEBI_33267 3_STAR
CHEBI:33271 biolink:ChemicalSubstance aldimine Imines derived from aldehydes, i.e. compounds having the structure RCH=NR. phenio.json aldimine|aldimines http://purl.obolibrary.org/obo/CHEBI_33271 3_STAR
CHEBI:33272 biolink:ChemicalSubstance ketimine Any imine derived from a ketone. phenio.json ketimine|ketimines http://purl.obolibrary.org/obo/CHEBI_33272 3_STAR
CHEBI:33273 biolink:ChemicalSubstance polyatomic anion An anion consisting of more than one atom. phenio.json polyatomic anions http://purl.obolibrary.org/obo/CHEBI_33273 3_STAR
CHEBI:33276 biolink:ChemicalSubstance delta-tocotrienol A tocotrienol that is chroman-6-ol substituted by methyl groups at positions 2 and 8 and a farnesyl chain at position 2. CAS:25612-59-3|Chemspider:4445515|FooDB:FDB001299|HMDB:HMDB0030008|KEGG:C14156|KNApSAcK:C00035077|LIPID_MAPS_instance:LMPR02020056|MetaCyc:CPD-15839|PMCID:PMC8181054|PMID:21598300|PMID:22816285|PMID:24294967|PMID:24486300|PMID:25225850|PMID:25480449|PMID:25534439|PMID:25815474|PMID:28825992|PMID:29491063|PMID:29749323|PMID:30100736|PMID:30639384|PMID:30871192|PMID:30940630|PMID:31141912|PMID:32580548|PMID:32629979|PMID:32932619|PMID:32951743|PMID:33143330|PMID:33347911|PMID:33899292|Patent:WO2009126866|Reaxys:5449575 phenio.json (2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-1-benzopyran-6-ol|(2R)-2,8-dimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl]-3,4-dihydro-2H-chromen-6-ol|delta-tocotrienol http://purl.obolibrary.org/obo/CHEBI_33276 3_STAR
CHEBI:33279 biolink:ChemicalSubstance vitamin D5 A vitamin D in which the side-chain at position 17 consists of a (5R)-5-ethyl-6-methylheptan-2-yl group. Beilstein:5616721|CAS:71761-06-3|Chemspider:8085275|FooDB:FDB020368|HMDB:HMDB0040586|KEGG:C18193|PMID:16259866|PMID:232394|Reaxys:10217937|Wikipedia:Vitamin_D5 phenio.json (1S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,4R)-4-Ethyl-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol|(3S,5Z,7E)-9,10-secostigmasta-5,7,10-trien-3-ol|(3beta,5Z,7E)-9,10-secostigmasta-5,7,10(19)-trien-3-ol|(5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3beta-ol|(5Z,7E)-9,10-secostigmasta-5,7,10(19)-trien-3beta-ol|24R-methylcalciol|sitocalciferol http://purl.obolibrary.org/obo/CHEBI_33279 3_STAR
CHEBI:33280 biolink:ChemicalSubstance molecular messenger phenio.json chemical messenger http://purl.obolibrary.org/obo/CHEBI_33280 3_STAR
CHEBI:33281 biolink:ChemicalSubstance antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. PMID:12964249|PMID:22117953|PMID:22439833|PMID:22849268|PMID:22849276|PMID:22958833 phenio.json Antibiotika|Antibiotikum|antibiotic|antibiotics|antibiotique|antimicrobial|antimicrobial agents|antimicrobials|microbicide|microbicides http://purl.obolibrary.org/obo/CHEBI_33281 3_STAR
CHEBI:33282 biolink:ChemicalSubstance antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. phenio.json antibacterial agents|antibacterials|bactericide|bactericides http://purl.obolibrary.org/obo/CHEBI_33282 3_STAR
CHEBI:33284 biolink:ChemicalSubstance nutrient A nutrient is a food component that an organism uses to survive and grow. phenio.json nutrients http://purl.obolibrary.org/obo/CHEBI_33284 3_STAR
CHEBI:33285 biolink:ChemicalSubstance heteroorganic entity A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms. phenio.json heteroorganic entities|organoelement compounds http://purl.obolibrary.org/obo/CHEBI_33285 3_STAR
CHEBI:33286 biolink:ChemicalSubstance agrochemical An agrochemical is a substance that is used in agriculture or horticulture. Wikipedia:Agrochemical phenio.json agrichemical|agrichemicals|agricultural chemicals|agrochemicals http://purl.obolibrary.org/obo/CHEBI_33286 3_STAR
CHEBI:33287 biolink:ChemicalSubstance fertilizer A fertilizer is any substance that is added to soil or water to assist the growth of plants. phenio.json fertiliser|fertilizers http://purl.obolibrary.org/obo/CHEBI_33287 3_STAR
CHEBI:33288 biolink:ChemicalSubstance rodenticide A substance used to destroy rodent pests. Wikipedia:Rodenticide phenio.json rodenticides http://purl.obolibrary.org/obo/CHEBI_33288 3_STAR
CHEBI:33289 biolink:ChemicalSubstance avicide A substance used to destroy bird pests (class Aves). Wikipedia:Avicide phenio.json avicides http://purl.obolibrary.org/obo/CHEBI_33289 3_STAR
CHEBI:33290 biolink:ChemicalSubstance food A physiological role played by any substance of either plant, animal or artificial origin which contains essential body nutrients that can be ingested by an organism to provide energy, promote growth, and maintain the processes of life. phenio.json food material|food materials|food role|foods|foodstuff|foodstuffs http://purl.obolibrary.org/obo/CHEBI_33290 3_STAR
CHEBI:33292 biolink:ChemicalSubstance fuel An energy-rich substance that can be transformed with release of usable energy. phenio.json http://purl.obolibrary.org/obo/CHEBI_33292 3_STAR
CHEBI:33295 biolink:ChemicalSubstance diagnostic agent A substance administered to aid diagnosis of a disease. phenio.json diagnostic aid http://purl.obolibrary.org/obo/CHEBI_33295 3_STAR
CHEBI:33296 biolink:ChemicalSubstance alkali metal molecular entity A molecular entity containing one or more atoms of an alkali metal. phenio.json alkali metal molecular entities http://purl.obolibrary.org/obo/CHEBI_33296 3_STAR
CHEBI:33298 biolink:ChemicalSubstance lithium molecular entity phenio.json lithium compounds|lithium molecular entities|lithium molecular entity http://purl.obolibrary.org/obo/CHEBI_33298 3_STAR
CHEBI:33299 biolink:ChemicalSubstance alkaline earth molecular entity An alkaline earth molecular entity is a molecular entity containing one or more atoms of an alkaline earth metal. phenio.json alkaline earth compounds|alkaline earth molecular entities|alkaline earth molecular entity|alkaline-earth compounds http://purl.obolibrary.org/obo/CHEBI_33299 3_STAR
CHEBI:3330 biolink:ChemicalSubstance Calpeptin CAS:117591-20-5|KEGG:C11256|LINCS:LSM-2570 phenio.json Calpeptin|N-Cbz-leu-nleu-al http://purl.obolibrary.org/obo/CHEBI_3330 2_STAR
CHEBI:33300 biolink:ChemicalSubstance pnictogen Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth. phenio.json group 15 elements|group V elements|nitrogenoideos|nitrogenoides|pnictogene|pnictogenes|pnictogens http://purl.obolibrary.org/obo/CHEBI_33300 3_STAR
CHEBI:33301 biolink:ChemicalSubstance bismuth atom CAS:7440-69-9|WebElements:Bi phenio.json 83Bi|Bi|Bismut|Wismut|bismuth|bismuto http://purl.obolibrary.org/obo/CHEBI_33301 3_STAR
CHEBI:33302 biolink:ChemicalSubstance pnictogen molecular entity A p-block molecular entity containing any pnictogen. phenio.json pnictogen molecular entities|pnictogen molecular entity http://purl.obolibrary.org/obo/CHEBI_33302 3_STAR
CHEBI:33303 biolink:ChemicalSubstance chalcogen Any p-block element belonging to the group 16 family of the periodic table. PMID:17084588 phenio.json Chalkogen|Chalkogene|anfigeno|anfigenos|calcogeno|calcogenos|chalcogen|chalcogene|chalcogenes|chalcogens|group 16 elements|group VI elements http://purl.obolibrary.org/obo/CHEBI_33303 3_STAR
CHEBI:33304 biolink:ChemicalSubstance chalcogen molecular entity Any p-block molecular entity containing a chalcogen. phenio.json chalcogen compounds|chalcogen molecular entities|chalcogen molecular entity http://purl.obolibrary.org/obo/CHEBI_33304 3_STAR
CHEBI:33305 biolink:ChemicalSubstance tellurium molecular entity phenio.json tellurium compounds|tellurium molecular entities|tellurium molecular entity http://purl.obolibrary.org/obo/CHEBI_33305 3_STAR
CHEBI:33306 biolink:ChemicalSubstance carbon group element atom phenio.json carbon group element|carbon group elements|carbonoides|cristallogene|cristallogenes|group 14 elements|group IV elements http://purl.obolibrary.org/obo/CHEBI_33306 3_STAR
CHEBI:33307 biolink:ChemicalSubstance thiocarboxylic acid An organic acid in which one or both oxygens of a carboxy group have been replaced by divalent sulfur. phenio.json carbothioic acids|thiocarboxylic acid|thiocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_33307 3_STAR
CHEBI:33308 biolink:ChemicalSubstance carboxylic ester An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl. KEGG:C02391|Wikipedia:Ester phenio.json Carboxylic ester|a carboxylic ester|carboxylic acid esters|carboxylic esters http://purl.obolibrary.org/obo/CHEBI_33308 3_STAR
CHEBI:33309 biolink:ChemicalSubstance noble gas atom phenio.json Edelgas|Edelgase|gas noble|gases nobles|gaz noble|gaz nobles|group 18 elements|group VIII elements|inert gases|noble gas|noble gases|rare gases http://purl.obolibrary.org/obo/CHEBI_33309 3_STAR
CHEBI:33315 biolink:ChemicalSubstance monoatomic helium phenio.json elemental helium http://purl.obolibrary.org/obo/CHEBI_33315 3_STAR
CHEBI:33316 biolink:ChemicalSubstance helium(2+) phenio.json He(2+)|helium(2+) http://purl.obolibrary.org/obo/CHEBI_33316 3_STAR
CHEBI:33317 biolink:ChemicalSubstance boron group element atom phenio.json Element der Borgruppe|boron group element|boron group elements|group 13 elements|group III elements http://purl.obolibrary.org/obo/CHEBI_33317 3_STAR
CHEBI:33318 biolink:ChemicalSubstance main group element atom An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table. phenio.json Hauptgruppenelement|Hauptgruppenelemente|main group element|main group elements http://purl.obolibrary.org/obo/CHEBI_33318 3_STAR
CHEBI:33319 biolink:ChemicalSubstance lanthanoid atom phenio.json Lanthanoid|Lanthanoide|Lanthanoidengruppe|Lanthanoidenreiche|Ln|lanthanide|lanthanides|lanthanoid|lanthanoids http://purl.obolibrary.org/obo/CHEBI_33319 3_STAR
CHEBI:33321 biolink:ChemicalSubstance rare earth metal atom phenio.json rare earth metal|rare earth metals http://purl.obolibrary.org/obo/CHEBI_33321 3_STAR
CHEBI:33324 biolink:ChemicalSubstance strontium atom CAS:7440-24-6|WebElements:Sr phenio.json 38Sr|Sr|estroncio|strontium http://purl.obolibrary.org/obo/CHEBI_33324 3_STAR
CHEBI:33327 biolink:ChemicalSubstance silicon oxide phenio.json oxides of silicon|silicon oxides http://purl.obolibrary.org/obo/CHEBI_33327 3_STAR
CHEBI:33328 biolink:ChemicalSubstance silicon oxoacid phenio.json oxoacids of silicon|silicic acids|silicon oxoacids http://purl.obolibrary.org/obo/CHEBI_33328 3_STAR
CHEBI:33338 biolink:ChemicalSubstance aryl group A group derived from an arene by removal of a hydrogen atom from a ring carbon atom. phenio.json Arylgruppe|aryl groups|groupe aryle|grupos arilo http://purl.obolibrary.org/obo/CHEBI_33338 3_STAR
CHEBI:33340 biolink:ChemicalSubstance zinc group element atom phenio.json group 12 elements|zinc group element|zinc group elements http://purl.obolibrary.org/obo/CHEBI_33340 3_STAR
CHEBI:33341 biolink:ChemicalSubstance titanium atom CAS:7440-32-6|WebElements:Ti phenio.json 22Ti|Ti|Titan|titane|titanio|titanium http://purl.obolibrary.org/obo/CHEBI_33341 3_STAR
CHEBI:33345 biolink:ChemicalSubstance titanium group element atom phenio.json group 4 elements|titanium group element|titanium group elements http://purl.obolibrary.org/obo/CHEBI_33345 3_STAR
CHEBI:33347 biolink:ChemicalSubstance vanadium group element atom phenio.json group 5 elements|vanadium group element|vanadium group elements http://purl.obolibrary.org/obo/CHEBI_33347 3_STAR
CHEBI:33350 biolink:ChemicalSubstance chromium group element atom phenio.json chromium group element|chromium group elements|group 6 elements http://purl.obolibrary.org/obo/CHEBI_33350 3_STAR
CHEBI:33352 biolink:ChemicalSubstance manganese group element atom phenio.json group 7 elements|manganese group element|manganese group elements http://purl.obolibrary.org/obo/CHEBI_33352 3_STAR
CHEBI:33356 biolink:ChemicalSubstance iron group element atom phenio.json group 8 elements|iron group element|iron group elements http://purl.obolibrary.org/obo/CHEBI_33356 3_STAR
CHEBI:33358 biolink:ChemicalSubstance cobalt group element atom phenio.json cobalt group element|cobalt group elements|group 9 elements http://purl.obolibrary.org/obo/CHEBI_33358 3_STAR
CHEBI:33362 biolink:ChemicalSubstance nickel group element atom phenio.json group 10 elements|nickel group element|nickel group elements http://purl.obolibrary.org/obo/CHEBI_33362 3_STAR
CHEBI:33363 biolink:ChemicalSubstance palladium Chemical element (nickel group element atom) with atomic number 46. CAS:7440-05-3|PMID:25097477|Reaxys:4937491|WebElements:Pd|Wikipedia:Palladium phenio.json 46Pd|Pd|paladio|palladium http://purl.obolibrary.org/obo/CHEBI_33363 3_STAR
CHEBI:33364 biolink:ChemicalSubstance platinum CAS:7440-06-4|WebElements:Pt phenio.json 78Pt|Platin|Pt|platine|platino|platinum http://purl.obolibrary.org/obo/CHEBI_33364 3_STAR
CHEBI:33365 biolink:ChemicalSubstance platinum group metal atom phenio.json PGM|Platinmetalle|Platinoide|platinoid|platinum group metal|platinum group metals|platinum metals http://purl.obolibrary.org/obo/CHEBI_33365 3_STAR
CHEBI:33366 biolink:ChemicalSubstance copper group element atom phenio.json coinage metals|copper group element|copper group elements|group 11 elements http://purl.obolibrary.org/obo/CHEBI_33366 3_STAR
CHEBI:33375 biolink:ChemicalSubstance gadolinium atom CAS:7440-54-2|Gmelin:16286|WebElements:Gd phenio.json 64Gd|Gd|gadolinio|gadolinium http://purl.obolibrary.org/obo/CHEBI_33375 3_STAR
CHEBI:33384 biolink:ChemicalSubstance L-serine zwitterion A serine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-serine. MetaCyc:SER phenio.json (2S)-2-ammonio-3-hydroxypropanoate|L-serine|L-serine zwitterion http://purl.obolibrary.org/obo/CHEBI_33384 3_STAR
CHEBI:33400 biolink:ChemicalSubstance platinum(0) CAS:7440-06-4|Gmelin:8862 phenio.json Pt(0)|Ptn|platinum|platinum black|platinum metal http://purl.obolibrary.org/obo/CHEBI_33400 3_STAR
CHEBI:33402 biolink:ChemicalSubstance sulfur oxoacid phenio.json oxoacids of sulfur|sulfur oxoacids http://purl.obolibrary.org/obo/CHEBI_33402 3_STAR
CHEBI:33403 biolink:ChemicalSubstance elemental sulfur phenio.json elemental sulphur http://purl.obolibrary.org/obo/CHEBI_33403 3_STAR
CHEBI:33404 biolink:ChemicalSubstance 3-hydroxypropionic acid A 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens attached to the terminal carbon is replaced by a hydroxy group. CAS:503-66-2|DrugBank:DB03688|Gmelin:26307|HMDB:HMDB0000700|KEGG:C01013|LIPID_MAPS_instance:LMFA01050003|PDBeChem:3OH|PMID:21723339|PMID:23022570|PMID:23192305|PMID:23473969|PMID:8155818|Reaxys:773806 phenio.json 3-HYDROXY-PROPANOIC ACID|3-Hydroxypropanoic acid|3-Hydroxypropionic acid|3-hydroxypropanoic acid|Hydracrylic acid|beta-hydroxypropionic acid http://purl.obolibrary.org/obo/CHEBI_33404 3_STAR
CHEBI:33405 biolink:ChemicalSubstance hydracid A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). phenio.json hydracid|hydracids http://purl.obolibrary.org/obo/CHEBI_33405 3_STAR
CHEBI:33406 biolink:ChemicalSubstance organoarsenic compound phenio.json organoarsenic compound|organoarsenic compounds http://purl.obolibrary.org/obo/CHEBI_33406 3_STAR
CHEBI:33407 biolink:ChemicalSubstance arsenic oxoacid phenio.json arsenic oxoacid|arsenic oxoacids|oxoacids of arsenic http://purl.obolibrary.org/obo/CHEBI_33407 3_STAR
CHEBI:33408 biolink:ChemicalSubstance pnictogen oxoacid phenio.json pnictogen oxoacids http://purl.obolibrary.org/obo/CHEBI_33408 3_STAR
CHEBI:33409 biolink:ChemicalSubstance methylarsonate(1-) phenio.json MeAsO2(OH)(-)|[As(CH3)O2(OH)](-)|hydrogen methylarsonate|methylarsonate http://purl.obolibrary.org/obo/CHEBI_33409 3_STAR
CHEBI:33410 biolink:ChemicalSubstance arsonite(1-) phenio.json [AsHO(OH)](-)|hydridohydroxidooxidoarsenate(1-)|hydrogen arsonite http://purl.obolibrary.org/obo/CHEBI_33410 3_STAR
CHEBI:33415 biolink:ChemicalSubstance elemental carbon CAS:7440-44-0|CAS:82600-58-6|Gmelin:8868 phenio.json carbon http://purl.obolibrary.org/obo/CHEBI_33415 3_STAR
CHEBI:33416 biolink:ChemicalSubstance fullerene A compound composed solely of an even number of carbon atoms, which form a cage-like fused-ring polycyclic system with twelve five-membered rings and the rest six-membered rings. The term has been broadened to include any closed cage structure consisting entirely of three-coordinate carbon atoms. phenio.json Fulleren|fulereno|fulerenos|fullerene|fullerenes|fullereno|fullerenos http://purl.obolibrary.org/obo/CHEBI_33416 3_STAR
CHEBI:33423 biolink:ChemicalSubstance monoatomic hexacation phenio.json monoatomic hexacation|monoatomic hexacations http://purl.obolibrary.org/obo/CHEBI_33423 3_STAR
CHEBI:33424 biolink:ChemicalSubstance sulfur oxoacid derivative phenio.json sulfur oxoacid derivative|sulfur oxoacid derivatives http://purl.obolibrary.org/obo/CHEBI_33424 3_STAR
CHEBI:33425 biolink:ChemicalSubstance halogen oxoacid phenio.json halogen oxoacid|halogen oxoacids http://purl.obolibrary.org/obo/CHEBI_33425 3_STAR
CHEBI:33426 biolink:ChemicalSubstance chlorine oxoacid phenio.json chlorine oxoacid|chlorine oxoacids http://purl.obolibrary.org/obo/CHEBI_33426 3_STAR
CHEBI:33429 biolink:ChemicalSubstance monoatomic monoanion phenio.json monoatomic monoanions http://purl.obolibrary.org/obo/CHEBI_33429 3_STAR
CHEBI:33431 biolink:ChemicalSubstance elemental chlorine phenio.json http://purl.obolibrary.org/obo/CHEBI_33431 3_STAR
CHEBI:33432 biolink:ChemicalSubstance monoatomic chlorine phenio.json atomic chlorine http://purl.obolibrary.org/obo/CHEBI_33432 3_STAR
CHEBI:33433 biolink:ChemicalSubstance monoatomic halogen phenio.json monoatomic halogens http://purl.obolibrary.org/obo/CHEBI_33433 3_STAR
CHEBI:33434 biolink:ChemicalSubstance elemental halogen phenio.json elemental halogen|elemental halogens http://purl.obolibrary.org/obo/CHEBI_33434 3_STAR
CHEBI:33437 biolink:ChemicalSubstance chlorine oxoanion phenio.json chlorine oxoanion|chlorine oxoanions http://purl.obolibrary.org/obo/CHEBI_33437 3_STAR
CHEBI:33442 biolink:ChemicalSubstance (S)-S-adenosyl-L-methionine Beilstein:9671725|PMID:25681113 phenio.json (S)-[(3S)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium|(S,S)-AdoMet|S-ADENOSYLMETHIONINE http://purl.obolibrary.org/obo/CHEBI_33442 3_STAR
CHEBI:33443 biolink:ChemicalSubstance halogen oxoanion phenio.json halogen oxoanion|halogen oxoanions http://purl.obolibrary.org/obo/CHEBI_33443 3_STAR
CHEBI:33447 biolink:ChemicalSubstance phospho sugar Any monosaccharide containing an alcoholic hydroxy group esterified with phosphoric acid. KEGG:C00934|PMID:18186488 phenio.json monosaccharide phosphates|phospho sugar|phospho sugars|phosphorylated sugar|phosphorylated sugars|phosphosugar|phosphosugars http://purl.obolibrary.org/obo/CHEBI_33447 3_STAR
CHEBI:33452 biolink:ChemicalSubstance benzylic group Arylmethyl groups and derivatives formed by substitution: ArCR2-. phenio.json benzylic group|benzylic groups|groupe benzylique http://purl.obolibrary.org/obo/CHEBI_33452 3_STAR
CHEBI:33455 biolink:ChemicalSubstance nitrogen oxoacid phenio.json nitrogen oxoacids|oxoacids of nitrogen http://purl.obolibrary.org/obo/CHEBI_33455 3_STAR
CHEBI:33456 biolink:ChemicalSubstance organoheteryl group A univalent group containing carbon which has its free valence at an atom other than carbon. phenio.json groupe organoheteryle|grupo organoheterilo|grupos organoheterilo|organoelement group|organoheteryl group|organoheteryl groups http://purl.obolibrary.org/obo/CHEBI_33456 3_STAR
CHEBI:33457 biolink:ChemicalSubstance phosphorus oxoacid A pnictogen oxoacid which contains phosphorus and oxygen, at least one hydrogen atom bound to oxygen, and forms an ion by the loss of one or more protons. phenio.json Oxosaeure des Phosphors|oxoacids of phosphorus|phosphorus oxoacid|phosphorus oxoacids http://purl.obolibrary.org/obo/CHEBI_33457 3_STAR
CHEBI:33458 biolink:ChemicalSubstance nitrogen oxoanion phenio.json nitrogen oxoanion|nitrogen oxoanions|oxoanions of nitrogen http://purl.obolibrary.org/obo/CHEBI_33458 3_STAR
CHEBI:33459 biolink:ChemicalSubstance pnictogen oxoanion phenio.json pnictogen oxoanion|pnictogen oxoanions http://purl.obolibrary.org/obo/CHEBI_33459 3_STAR
CHEBI:33461 biolink:ChemicalSubstance phosphorus oxoanion phenio.json oxoanions of phosphorus|phosphorus oxoanion|phosphorus oxoanions http://purl.obolibrary.org/obo/CHEBI_33461 3_STAR
CHEBI:33462 biolink:ChemicalSubstance phosphonate(1-) A monovalent inorganic anion obtained by deprotonation of one of the two OH groups in phosphonic acid. PDBeChem:78T phenio.json [PHO2(OH)](-)|hydridohydroxidodioxidophosphate(1-)|hydrogen phosphonate|hydrogenphosphonate http://purl.obolibrary.org/obo/CHEBI_33462 3_STAR
CHEBI:33464 biolink:ChemicalSubstance elemental phosphorus phenio.json http://purl.obolibrary.org/obo/CHEBI_33464 3_STAR
CHEBI:33465 biolink:ChemicalSubstance elemental pnictogen phenio.json elemental pnictogen|elemental pnictogens http://purl.obolibrary.org/obo/CHEBI_33465 3_STAR
CHEBI:33466 biolink:ChemicalSubstance monoatomic phosphorus phenio.json atomic phosphorus http://purl.obolibrary.org/obo/CHEBI_33466 3_STAR
CHEBI:33467 biolink:ChemicalSubstance phosphorus(1+) CAS:16427-80-8|Gmelin:15200 phenio.json P(+)|phosphorus cation|phosphorus(1+)|phosphorus(1+) ion|phosphorus(I) cation http://purl.obolibrary.org/obo/CHEBI_33467 3_STAR
CHEBI:3347 biolink:ChemicalSubstance candesartan A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension. CAS:139481-59-7|DrugBank:DB00796|HMDB:HMDB0014934|KEGG:C07468|KEGG:D00522|LINCS:LSM-5903|PMID:23713902|PMID:24464858|Patent:EP459136|Patent:US5196444|Reaxys:6377719|Wikipedia:Candesartan phenio.json 2-ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acid|2-ethoxy-1-({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl)-1H-benzimidazole-7-carboxylic acid|2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid|2-ethoxy-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4ethyl]}-1H-benzimidazole-7-carboxylic acid|Blopress|CV-11974 http://purl.obolibrary.org/obo/CHEBI_3347 3_STAR
CHEBI:33474 biolink:ChemicalSubstance hydrocarbylidyne group Trivalent groups, RC#, formed by removing three hydrogen atoms from the same carbon atom of a hydrocarbon, the free valencies of which are engaged in a triple bond. phenio.json RC#|groupe hydrocarbylidyne|hydrocarbylidyne group|hydrocarbylidyne groups http://purl.obolibrary.org/obo/CHEBI_33474 3_STAR
CHEBI:3348 biolink:ChemicalSubstance Candesartan cilexetil CAS:145040-37-5|Drug_Central:475|KEGG:C07709|KEGG:D00626|LINCS:LSM-1716 phenio.json Candesartan cilexetil|TCV 116|TCV-116 http://purl.obolibrary.org/obo/CHEBI_3348 2_STAR
CHEBI:33482 biolink:ChemicalSubstance sulfur oxoanion phenio.json oxoanions of sulfur|sulfur oxoanion|sulfur oxoanions http://purl.obolibrary.org/obo/CHEBI_33482 3_STAR
CHEBI:33483 biolink:ChemicalSubstance trithionate(1-) Gmelin:1746128 phenio.json [HS3O6](-)|[O3SSS(O)2(OH)](-)|hydrogen trithionate http://purl.obolibrary.org/obo/CHEBI_33483 3_STAR
CHEBI:33484 biolink:ChemicalSubstance chalcogen oxoacid phenio.json chalcogen oxoacid|chalcogen oxoacids http://purl.obolibrary.org/obo/CHEBI_33484 3_STAR
CHEBI:33485 biolink:ChemicalSubstance chalcogen oxoanion phenio.json chalcogen oxoanion|chalcogen oxoanions http://purl.obolibrary.org/obo/CHEBI_33485 3_STAR
CHEBI:33488 biolink:ChemicalSubstance selenium oxoanion phenio.json oxoanions of selenium|selenium oxoanion|selenium oxoanions http://purl.obolibrary.org/obo/CHEBI_33488 3_STAR
CHEBI:33489 biolink:ChemicalSubstance selenium oxoacid phenio.json oxoacids of selenium|selenium oxoacid|selenium oxoacids http://purl.obolibrary.org/obo/CHEBI_33489 3_STAR
CHEBI:3349 biolink:ChemicalSubstance candicidin D A 38-membered ring lactone containing seven (E)-double bonds between positions 22 and 35 and substituted by hydroxy groups at positions 9, 11, 13, 17 and 19, oxo groups at positions 3, 7 and 15, a carboxy group at position 18, a 3-amino-3,6-dideoxymannopyranosyloxy group at position 21, a methyl group at position 36 and a 7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl group at position 37. It is the major component of candicidin, a mixture of antifungal heptaene macrolides obtained from a strain of Streptomyces griseus. Beilstein:9183661|CAS:39372-30-0|DrugBank:DB01152|KEGG:C06690|PMID:5674962|Wikipedia:Candicidin phenio.json (23E,25E,27E,29E,31E,33E,35E)-22-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-38-[7-(4-aminophenyl)-5-hydroxy-4-methyl-7-oxoheptan-2-yl]-10,12,14,18,20-pentahydroxy-37-methyl-2,4,8,16-tetraoxooxacyclooctatriaconta-23,25,27,29,31,33,35-heptaene-19-carboxylic acid|Candicidin D|candicidin D1|levorin A2 http://purl.obolibrary.org/obo/CHEBI_3349 3_STAR
CHEBI:33490 biolink:ChemicalSubstance hydrogenselenate phenio.json HSeO4(-)|[SeO3(OH)](-)|hydrogenselenate|hydroxidotrioxidoselenate(1-) http://purl.obolibrary.org/obo/CHEBI_33490 3_STAR
CHEBI:33497 biolink:ChemicalSubstance transition element molecular entity A molecular entity containing one or more atoms of a transition element. phenio.json transition element molecular entities|transition metal molecular entity http://purl.obolibrary.org/obo/CHEBI_33497 3_STAR
CHEBI:33504 biolink:ChemicalSubstance alkali metal cation phenio.json alkali metal cations http://purl.obolibrary.org/obo/CHEBI_33504 3_STAR
CHEBI:33507 biolink:ChemicalSubstance diketoaldonic acid Dioxo carboxylic acids formally derived from aldoses by replacement of two secondary CHOH groups by carbonyl groups. phenio.json diketoaldonic acid|diketoaldonic acids http://purl.obolibrary.org/obo/CHEBI_33507 3_STAR
CHEBI:33508 biolink:ChemicalSubstance glyceric acid A trionic acid that consists of propionic acid substituted at positions 2 and 3 by hydroxy groups. Beilstein:1721417|CAS:473-81-4|Gmelin:164608|PMID:14957916|PMID:17439666|PMID:21071844|PMID:21701101|PMID:21852749|PMID:22226201|Reaxys:1721417|Wikipedia:Glyceric_acid phenio.json 2,3-dihydroxypropanoic acid|2,3-dihydroxypropionic acid|Gro|glyceric acid http://purl.obolibrary.org/obo/CHEBI_33508 3_STAR
CHEBI:33509 biolink:ChemicalSubstance arabinonic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_33509 3_STAR
CHEBI:33510 biolink:ChemicalSubstance L-arabinonic acid The L-enantiomer of arabinonic acid. Beilstein:1724269|CAS:608-53-7|KEGG:C00545 phenio.json http://purl.obolibrary.org/obo/CHEBI_33510 3_STAR
CHEBI:33511 biolink:ChemicalSubstance ribonic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_33511 3_STAR
CHEBI:33513 biolink:ChemicalSubstance alkaline earth cation phenio.json alkaline earth cations|alkaline earth metal cation|alkaline-earth metal cations http://purl.obolibrary.org/obo/CHEBI_33513 3_STAR
CHEBI:33515 biolink:ChemicalSubstance transition element cation phenio.json transition element cations|transition metal cation http://purl.obolibrary.org/obo/CHEBI_33515 3_STAR
CHEBI:33516 biolink:ChemicalSubstance chromium cation phenio.json chromium cation|chromium cations http://purl.obolibrary.org/obo/CHEBI_33516 3_STAR
CHEBI:33519 biolink:ChemicalSubstance tellurium oxoacid phenio.json oxoacids of tellurium|tellurium oxoacid|tellurium oxoacids http://purl.obolibrary.org/obo/CHEBI_33519 3_STAR
CHEBI:33520 biolink:ChemicalSubstance tellurium oxoanion phenio.json oxoanions of tellurium|tellurium oxoanion|tellurium oxoanions http://purl.obolibrary.org/obo/CHEBI_33520 3_STAR
CHEBI:33521 biolink:ChemicalSubstance metal atom An atom of an element that exhibits typical metallic properties, being typically shiny, with high electrical and thermal conductivity. KEGG:C00050|PMID:21784043|Wikipedia:Metal phenio.json elemental metal|elemental metals|metal element|metal elements|metals http://purl.obolibrary.org/obo/CHEBI_33521 3_STAR
CHEBI:33522 biolink:ChemicalSubstance hydrogentellurite A monovalent inorganic anion obtained by removal of a proton from H2TeO3 Gmelin:323330 phenio.json HTeO3(-)|[TeO2(OH)](-)|hydroxidodioxidotellurate(1-) http://purl.obolibrary.org/obo/CHEBI_33522 3_STAR
CHEBI:33526 biolink:ChemicalSubstance mannonate phenio.json http://purl.obolibrary.org/obo/CHEBI_33526 3_STAR
CHEBI:33527 biolink:ChemicalSubstance ribonate phenio.json http://purl.obolibrary.org/obo/CHEBI_33527 3_STAR
CHEBI:33529 biolink:ChemicalSubstance idonate phenio.json idonates http://purl.obolibrary.org/obo/CHEBI_33529 3_STAR
CHEBI:3353 biolink:ChemicalSubstance candoxatril The 2,3-dihydro-1H-inden-5-yl ester of the active enantiomer of candoxatrilat. Candoxatril is an orally active prodrug of candoxatrilat, a potent neutral endopeptidase (NEP, neprilysin) inhibitor used in the treatment of chronic heart failure. Beilstein:8374063|CAS:123122-55-4|DrugBank:DB00616|KEGG:D01070|Patent:EP274234|Patent:US5030654 phenio.json 4-({1-[(S)-2-(Indan-5-yloxycarbonyl)-3-(2-methoxy-ethoxy)-propyl]-cyclopentanecarbonyl}-amino)-cyclohexanecarboxylic acid|[4(S)-cis]-4-[[[1-[3-[(2,3-dihydro-1H-indeb5-yl)oxy]-2-[(2-methoxyethoxy)methyl]-3-oxopropyl]cyclopentyl]carbonyl]amino]cyclohexanecarboxylic acid|candoxatril|cis-4-{[(1-{(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-[(2-methoxyethoxy)methyl]-3-oxopropyl}cyclopentyl)carbonyl]amino}cyclohexanecarboxylic acid http://purl.obolibrary.org/obo/CHEBI_3353 3_STAR
CHEBI:33530 biolink:ChemicalSubstance altronate phenio.json http://purl.obolibrary.org/obo/CHEBI_33530 3_STAR
CHEBI:33532 biolink:ChemicalSubstance altronic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_33532 1_STAR
CHEBI:33535 biolink:ChemicalSubstance sulfur hydride phenio.json hydrides of sulfur|sulfur hydride|sulfur hydrides|sulphur hydrides http://purl.obolibrary.org/obo/CHEBI_33535 3_STAR
CHEBI:33539 biolink:ChemicalSubstance hydroxidodioxidosulfidosulfate(1-) Gmelin:239830|KEGG:C00320|PDBeChem:THJ phenio.json Hyposulfite|[SO2(OH)S](-)|hydroxidodioxidosulfidosulfate(1-) http://purl.obolibrary.org/obo/CHEBI_33539 3_STAR
CHEBI:3354 biolink:ChemicalSubstance candoxatrilat A dicarboxylic acid monoamide obtained by formal condensation between the amino group of cis-4-aminocyclohexanecarboxylic acid and the cyclopentanecarboxylic acid group of 1-[(2S)-2-carboxy-3-(2-methoxyethoxy)propyl]cyclopentanecarboxylic acid. A potent inhibitor of neutral endopeptidase (NEP, neprilysin, EC 3.4.24.11), it is used as its 2,3-dihydro-1H-inden-5-yl ester prodrug in the treatment of chronic heart failure. Beilstein:8365079|CAS:123122-54-3|CAS:123898-42-0|DrugBank:DB00616|KEGG:C11721|KEGG:D03349 phenio.json 4-({1-[(S)-2-Carboxy-3-(2-methoxy-ethoxy)-propyl]-cyclopentanecarbonyl}-amino)-cyclohexanecarboxylic acid|Candoxatrilat|candoxatrilat|candoxatrilate|cis-4-[({1-[(2S)-2-carboxy-3-(2-methoxyethoxy)propyl]cyclopentyl}carbonyl)amino]cyclohexanecarboxylic acid http://purl.obolibrary.org/obo/CHEBI_3354 3_STAR
CHEBI:33540 biolink:ChemicalSubstance thiosulfuric acid phenio.json sulfurothioic acid|thiosulfuric acid http://purl.obolibrary.org/obo/CHEBI_33540 3_STAR
CHEBI:33541 biolink:ChemicalSubstance thiosulfate(1-) KEGG:C00320 phenio.json HS2O3(-)|hydrogen sulfurothioate http://purl.obolibrary.org/obo/CHEBI_33541 3_STAR
CHEBI:33542 biolink:ChemicalSubstance trioxidosulfanidosulfate(1-) Gmelin:239829|MetaCyc:S2O3 phenio.json [SO3(SH)](-)|thiosulfate|trioxidosulfanidosulfate(1-) http://purl.obolibrary.org/obo/CHEBI_33542 3_STAR
CHEBI:33543 biolink:ChemicalSubstance sulfonate The sulfur oxoanion formed by deprotonation of sulfonic acid. Gmelin:971569 phenio.json SHO3(-)|[SHO3](-)|hydridotrioxidosulfate(1-)|sulfonates http://purl.obolibrary.org/obo/CHEBI_33543 3_STAR
CHEBI:33544 biolink:ChemicalSubstance alpha-amino-acid radical phenio.json alpha-amino-acid radical|alpha-amino-acid radicals http://purl.obolibrary.org/obo/CHEBI_33544 3_STAR
CHEBI:33549 biolink:ChemicalSubstance uronate phenio.json uronate|uronates http://purl.obolibrary.org/obo/CHEBI_33549 3_STAR
CHEBI:33551 biolink:ChemicalSubstance organosulfonic acid An organic derivative of sulfonic acid in which the sulfo group is linked directly to carbon. phenio.json organosulfonic acids|sulfonic acids http://purl.obolibrary.org/obo/CHEBI_33551 3_STAR
CHEBI:33552 biolink:ChemicalSubstance sulfonic acid derivative phenio.json derivatives of sulfonic acid|sulfonic acid derivative|sulfonic acid derivatives http://purl.obolibrary.org/obo/CHEBI_33552 3_STAR
CHEBI:33554 biolink:ChemicalSubstance organosulfonate oxoanion An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid. phenio.json organosulfonate|organosulfonate oxoanions|organosulfonates http://purl.obolibrary.org/obo/CHEBI_33554 3_STAR
CHEBI:33555 biolink:ChemicalSubstance arenesulfonic acid Organic derivatives of sulfonic acid in which the sulfo group is linked directly to carbon of an aryl group. phenio.json arenesulfonic acids|arylsulfonic acid|arylsulfonic acids http://purl.obolibrary.org/obo/CHEBI_33555 3_STAR
CHEBI:33557 biolink:ChemicalSubstance aminobenzenesulfonic acid Any arenesulfonic acid that is benzenesulfonic acid substituted by at least one amino group at unspecified position. phenio.json aminobenzenesulfonic acid|aminobenzenesulfonic acids http://purl.obolibrary.org/obo/CHEBI_33557 3_STAR
CHEBI:33558 biolink:ChemicalSubstance alpha-amino-acid anion An amino-acid anion obtained by deprotonation of any alpha-amino acid. phenio.json alpha-amino acid anion|alpha-amino acid anions|alpha-amino-acid anions http://purl.obolibrary.org/obo/CHEBI_33558 3_STAR
CHEBI:33559 biolink:ChemicalSubstance s-block element atom phenio.json s-block element|s-block elements http://purl.obolibrary.org/obo/CHEBI_33559 3_STAR
CHEBI:33560 biolink:ChemicalSubstance p-block element atom Any main group element atom belonging to the p-block of the periodic table. phenio.json p-block element|p-block elements http://purl.obolibrary.org/obo/CHEBI_33560 3_STAR
CHEBI:33561 biolink:ChemicalSubstance d-block element atom phenio.json d-block element|d-block elements http://purl.obolibrary.org/obo/CHEBI_33561 3_STAR
CHEBI:33562 biolink:ChemicalSubstance f-block element atom phenio.json f-block element|f-block elements http://purl.obolibrary.org/obo/CHEBI_33562 3_STAR
CHEBI:33563 biolink:ChemicalSubstance glycolipid Any member of class of 1,2-di-O-acylglycerols joined at oxygen 3 by a glycosidic linkage to a carbohydrate part (usually a mono-, di- or tri-saccharide). Some substances classified as bacterial glycolipids have the sugar part acylated by one or more fatty acids and the glycerol part may be absent. KEGG:C05005|Wikipedia:Glycolipids phenio.json Glycolipid|glycolipids http://purl.obolibrary.org/obo/CHEBI_33563 3_STAR
CHEBI:33564 biolink:ChemicalSubstance dihydroxybenzenesulfonate phenio.json dihydroxybenzenesulfonate http://purl.obolibrary.org/obo/CHEBI_33564 3_STAR
CHEBI:33565 biolink:ChemicalSubstance 2,3-dihydroxybenzenesulfonate KEGG:C06336|UM-BBD_compID:c0246 phenio.json 2,3-dihydroxybenzenesulfonate|3-sulfocatechol http://purl.obolibrary.org/obo/CHEBI_33565 3_STAR
CHEBI:33566 biolink:ChemicalSubstance catechols Any compound containing an o-diphenol component. KEGG:C15571 phenio.json 1,2-benzenediols|a catechol|benzene-1,2-diols http://purl.obolibrary.org/obo/CHEBI_33566 3_STAR
CHEBI:33567 biolink:ChemicalSubstance catecholamine 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] and derivatives formed by substitution. KEGG:C02012 phenio.json Catecholamine|catecholamines http://purl.obolibrary.org/obo/CHEBI_33567 3_STAR
CHEBI:33568 biolink:ChemicalSubstance adrenaline A racemate comprising equimolar amounts of (R)-adrenaline and (S)-adrenaline. CAS:329-65-7|Drug_Central:4508|Gmelin:51559|LINCS:LSM-4958|PMID:10052027|PMID:24252294|PMID:24719616|Reaxys:2212160 phenio.json (+-)-adrenaline|(+-)-epinephrine|2-(methylamino)-1-(3,4-dihydroxyphenyl)ethanol|dl-adrenaline|epinephrine racemic|rac-4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol|rac-adrenaline|racemic adrenaline|racepinefrina|racepinefrine|racepinefrinum http://purl.obolibrary.org/obo/CHEBI_33568 3_STAR
CHEBI:33569 biolink:ChemicalSubstance noradrenaline A catecholamine in which C-1 of the aminoethyl side-chain is hydroxy-substituted. Beilstein:2210994|CAS:138-65-8|Gmelin:863925|LINCS:LSM-5181 phenio.json 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol|noradrenalina|norepinephrine http://purl.obolibrary.org/obo/CHEBI_33569 3_STAR
CHEBI:33570 biolink:ChemicalSubstance benzenediols phenio.json http://purl.obolibrary.org/obo/CHEBI_33570 3_STAR
CHEBI:33571 biolink:ChemicalSubstance (S)-noradrenaline The S-enantiomer of noradrenaline. LINCS:LSM-37072|Reaxys:2937999 phenio.json 4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_33571 3_STAR
CHEBI:33572 biolink:ChemicalSubstance resorcinols Any benzenediol in which the two hydroxy groups are meta to one another. phenio.json http://purl.obolibrary.org/obo/CHEBI_33572 3_STAR
CHEBI:33573 biolink:ChemicalSubstance tetrol A polyol that contains 4 hydroxy groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_33573 3_STAR
CHEBI:33574 biolink:ChemicalSubstance 4-methylthio-2-oxobutanoic acid A 2-oxo monocarboxylic acid derived from L-methionine via the action of methionine transaminase. Beilstein:1754666|CAS:583-92-6|DrugBank:DB02238|KEGG:C01180|KNApSAcK:C00007474|LIPID_MAPS_instance:LMFA01060170|PDBeChem:KMT phenio.json 2-Keto-4-methylthiobutyric acid|2-Oxo-4-methylthiobutanoate|2-keto-4-methylthiobutyric acid|2-oxomethionine|4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID|4-(methylsulfanyl)-2-oxobutanoic acid|4-Methylthio-2-oxobutanoate|4-Methylthio-2-oxobutanoic acid|4-methylthio-2-oxobutanoic acid|alpha-oxo-gamma-methylthiobutyric acid http://purl.obolibrary.org/obo/CHEBI_33574 3_STAR
CHEBI:33575 biolink:ChemicalSubstance carboxylic acid A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid. PMID:17147560|PMID:18433345|Wikipedia:Carboxylic_acid phenio.json Carbonsaeure|Carbonsaeuren|Karbonsaeure|RC(=O)OH|acide carboxylique|acides carboxyliques|acido carboxilico|acidos carboxilicos|carboxylic acid|carboxylic acids http://purl.obolibrary.org/obo/CHEBI_33575 3_STAR
CHEBI:33576 biolink:ChemicalSubstance sulfur-containing carboxylic acid Any carboxylic acid having a sulfur substituent. phenio.json S-containing carboxylic acid|S-containing carboxylic acids|sulfur-containing carboxylic acids http://purl.obolibrary.org/obo/CHEBI_33576 3_STAR
CHEBI:33579 biolink:ChemicalSubstance main group molecular entity A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table. phenio.json main group compounds|main group molecular entities http://purl.obolibrary.org/obo/CHEBI_33579 3_STAR
CHEBI:33581 biolink:ChemicalSubstance boron group molecular entity phenio.json boron group molecular entities http://purl.obolibrary.org/obo/CHEBI_33581 3_STAR
CHEBI:33582 biolink:ChemicalSubstance carbon group molecular entity phenio.json carbon group molecular entities|carbon group molecular entity http://purl.obolibrary.org/obo/CHEBI_33582 3_STAR
CHEBI:33583 biolink:ChemicalSubstance noble gas molecular entity A main group molecular entity containing one or more atoms of any noble gas. phenio.json noble gas compounds|noble gas molecular entities|noble gas molecular entity http://purl.obolibrary.org/obo/CHEBI_33583 3_STAR
CHEBI:33584 biolink:ChemicalSubstance germanium molecular entity phenio.json germanium compounds|germanium molecular entities|germanium molecular entity http://purl.obolibrary.org/obo/CHEBI_33584 3_STAR
CHEBI:33585 biolink:ChemicalSubstance lead molecular entity phenio.json lead compounds|lead molecular entities|lead molecular entity http://purl.obolibrary.org/obo/CHEBI_33585 3_STAR
CHEBI:33588 biolink:ChemicalSubstance boron hydride phenio.json boron hydride|boron hydrides http://purl.obolibrary.org/obo/CHEBI_33588 3_STAR
CHEBI:3359 biolink:ChemicalSubstance cannabidiolic acid A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group. CAS:1244-58-2|KEGG:C10784|KNApSAcK:C00002642|LIPID_MAPS_instance:LMPK13120003|MetaCyc:CPD-7170|PMID:17544411|Reaxys:2226330 phenio.json 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-6-pentylbenzoic acid|3-p-Mentha-1,8-dien-3-yl-6-pentyl-beta-resorcylic acid|CBDA|Cannabidiolic acid http://purl.obolibrary.org/obo/CHEBI_3359 3_STAR
CHEBI:33595 biolink:ChemicalSubstance cyclic compound Any molecule that consists of a series of atoms joined together to form a ring. Wikipedia:Cyclic_compound phenio.json cyclic compounds http://purl.obolibrary.org/obo/CHEBI_33595 3_STAR
CHEBI:33596 biolink:ChemicalSubstance inorganic heterocyclic compound phenio.json inorganic heterocycle|inorganic heterocyclic compounds http://purl.obolibrary.org/obo/CHEBI_33596 3_STAR
CHEBI:33597 biolink:ChemicalSubstance homocyclic compound A cyclic compound having as ring members atoms of the same element only. phenio.json homocyclic compound|homocyclic compounds|isocyclic compounds http://purl.obolibrary.org/obo/CHEBI_33597 3_STAR
CHEBI:33598 biolink:ChemicalSubstance carbocyclic compound A homocyclic compound in which all of the ring members are carbon atoms. phenio.json carbocycle|carbocyclic compound|carbocyclic compounds http://purl.obolibrary.org/obo/CHEBI_33598 3_STAR
CHEBI:33599 biolink:ChemicalSubstance spiro compound A compound having one atom as the only common member of two rings. phenio.json spiro compound|spiro compounds|spiro-fused compounds|spirocycle|spirocycles|spirocyclic compound|spirocyclic compounds|spirofused compounds http://purl.obolibrary.org/obo/CHEBI_33599 3_STAR
CHEBI:33608 biolink:ChemicalSubstance hydrogen molecular entity phenio.json hydrogen compounds|hydrogen molecular entities http://purl.obolibrary.org/obo/CHEBI_33608 3_STAR
CHEBI:33619 biolink:ChemicalSubstance boron oxoanion phenio.json boron oxoanion|boron oxoanions http://purl.obolibrary.org/obo/CHEBI_33619 3_STAR
CHEBI:33620 biolink:ChemicalSubstance aluminium molecular entity phenio.json aluminium compounds|aluminium molecular entities|aluminium molecular entity|aluminum compounds http://purl.obolibrary.org/obo/CHEBI_33620 3_STAR
CHEBI:33624 biolink:ChemicalSubstance bromophenol A halophenol that is any phenol containing one or more covalently bonded bromine atoms. phenio.json http://purl.obolibrary.org/obo/CHEBI_33624 3_STAR
CHEBI:33625 biolink:ChemicalSubstance dibromophenol A bromophenol that consists of phenol bearing two bromo substituents at unspecified positions. phenio.json http://purl.obolibrary.org/obo/CHEBI_33625 3_STAR
CHEBI:33626 biolink:ChemicalSubstance aluminium hydroxides phenio.json aluminum hydroxides|hydroxides of aluminium|hydroxides of aluminum http://purl.obolibrary.org/obo/CHEBI_33626 3_STAR
CHEBI:33628 biolink:ChemicalSubstance elemental aluminium phenio.json elemental aluminum http://purl.obolibrary.org/obo/CHEBI_33628 3_STAR
CHEBI:33635 biolink:ChemicalSubstance polycyclic compound phenio.json polycyclic compounds http://purl.obolibrary.org/obo/CHEBI_33635 3_STAR
CHEBI:33636 biolink:ChemicalSubstance bicyclic compound A molecule that features two fused rings. phenio.json bicyclic compounds http://purl.obolibrary.org/obo/CHEBI_33636 3_STAR
CHEBI:33637 biolink:ChemicalSubstance ortho-fused compound A polycyclic compound in which two rings have two, and only two, atoms in common. Such compounds have n common faces and 2n common atoms. phenio.json ortho-fused compounds|ortho-fused polycyclic compounds http://purl.obolibrary.org/obo/CHEBI_33637 3_STAR
CHEBI:33639 biolink:ChemicalSubstance ortho- and peri-fused compound A polycyclic compound in which one ring contains two, and only two, atoms in common with each of two or more rings of a contiguous series of rings. Such compounds have n common faces and less than 2n common atoms. phenio.json ortho- and peri-fused compounds|ortho- and peri-fused polycyclic compounds http://purl.obolibrary.org/obo/CHEBI_33639 3_STAR
CHEBI:33640 biolink:ChemicalSubstance polycyclic cage A polycyclic compound having the shape of a cage. phenio.json cage compound|polycyclic cages http://purl.obolibrary.org/obo/CHEBI_33640 3_STAR
CHEBI:33641 biolink:ChemicalSubstance olefin Acyclic and cyclic hydrocarbons having one or more carbon-carbon double bonds, apart from the formal ones in aromatic compounds. The class olefins subsumes alkenes and cycloalkenes and the corresponding polyenes. phenio.json olefin|olefins http://purl.obolibrary.org/obo/CHEBI_33641 3_STAR
CHEBI:33642 biolink:ChemicalSubstance cyclic olefin The inclusive term for any cyclic hydrocarbon having any number of double bonds. phenio.json cyclic olefin|cyclic olefins http://purl.obolibrary.org/obo/CHEBI_33642 3_STAR
CHEBI:33643 biolink:ChemicalSubstance cycloalkene An unsaturated monocyclic hydrocarbon having at least one endocyclic double bond. phenio.json cycloalkene|cycloalkenes http://purl.obolibrary.org/obo/CHEBI_33643 3_STAR
CHEBI:33644 biolink:ChemicalSubstance acetylenes Acyclic (branched or unbranched) and cyclic (with or without side chain) hydrocarbons having one or more carbon-carbon triple bonds. phenio.json acetylenes http://purl.obolibrary.org/obo/CHEBI_33644 3_STAR
CHEBI:33645 biolink:ChemicalSubstance acyclic olefin Acyclic branched or unbranched hydrocarbons having one or more carbon-carbon double bond. phenio.json acyclic olefins http://purl.obolibrary.org/obo/CHEBI_33645 3_STAR
CHEBI:33646 biolink:ChemicalSubstance alkadiene Acyclic branched or unbranched hydrocarbons having two carbon-carbon double bonds. phenio.json alkadiene|alkadienes http://purl.obolibrary.org/obo/CHEBI_33646 3_STAR
CHEBI:33647 biolink:ChemicalSubstance alkatriene Acyclic branched or unbranched hydrocarbons having three carbon-carbon double bonds. phenio.json alkatriene|alkatrienes http://purl.obolibrary.org/obo/CHEBI_33647 3_STAR
CHEBI:33650 biolink:ChemicalSubstance acyclic acetylene Acyclic (branched or unbranched) hydrocarbons having one or more carbon-carbon triple bonds. phenio.json acyclic acetylenes http://purl.obolibrary.org/obo/CHEBI_33650 3_STAR
CHEBI:33653 biolink:ChemicalSubstance aliphatic compound Any acyclic or cyclic, saturated or unsaturated carbon compound, excluding aromatic compounds. phenio.json aliphatic compounds http://purl.obolibrary.org/obo/CHEBI_33653 3_STAR
CHEBI:33654 biolink:ChemicalSubstance alicyclic compound An aliphatic compound having a carbocyclic ring structure which may be saturated or unsaturated, but may not be a benzenoid or other aromatic system. phenio.json alicyclic compounds http://purl.obolibrary.org/obo/CHEBI_33654 3_STAR
CHEBI:33655 biolink:ChemicalSubstance aromatic compound A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character. phenio.json aromatic compounds|aromatic molecular entity|aromatics|aromatische Verbindungen http://purl.obolibrary.org/obo/CHEBI_33655 3_STAR
CHEBI:33658 biolink:ChemicalSubstance arene Any monocyclic or polycyclic aromatic hydrocarbon. phenio.json arene|arenes|aromatic hydrocarbons http://purl.obolibrary.org/obo/CHEBI_33658 3_STAR
CHEBI:33659 biolink:ChemicalSubstance organic aromatic compound phenio.json organic aromatic compounds http://purl.obolibrary.org/obo/CHEBI_33659 3_STAR
CHEBI:33661 biolink:ChemicalSubstance monocyclic compound phenio.json monocyclic compounds http://purl.obolibrary.org/obo/CHEBI_33661 3_STAR
CHEBI:33662 biolink:ChemicalSubstance annulene A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms. phenio.json annulene|annulenes http://purl.obolibrary.org/obo/CHEBI_33662 3_STAR
CHEBI:33663 biolink:ChemicalSubstance cyclic hydrocarbon phenio.json cyclic hydrocarbon|cyclic hydrocarbons http://purl.obolibrary.org/obo/CHEBI_33663 3_STAR
CHEBI:33664 biolink:ChemicalSubstance monocyclic hydrocarbon phenio.json monocyclic hydrocarbon|monocyclic hydrocarbons http://purl.obolibrary.org/obo/CHEBI_33664 3_STAR
CHEBI:33666 biolink:ChemicalSubstance polycyclic hydrocarbon phenio.json polycyclic hydrocarbon|polycyclic hydrocarbons http://purl.obolibrary.org/obo/CHEBI_33666 3_STAR
CHEBI:33670 biolink:ChemicalSubstance heteromonocyclic compound phenio.json heteromonocyclic compound|heteromonocyclic compounds http://purl.obolibrary.org/obo/CHEBI_33670 3_STAR
CHEBI:33671 biolink:ChemicalSubstance heteropolycyclic compound A polycyclic compound in which at least one of the rings contains at least one non-carbon atom. phenio.json heteropolycyclic compounds|polyheterocyclic compounds http://purl.obolibrary.org/obo/CHEBI_33671 3_STAR
CHEBI:33672 biolink:ChemicalSubstance heterobicyclic compound A bicyclic compound in which at least one of the rings contains at least one skeletal heteroatom. phenio.json heterobicyclic compounds http://purl.obolibrary.org/obo/CHEBI_33672 3_STAR
CHEBI:33673 biolink:ChemicalSubstance zinc group molecular entity phenio.json zinc group molecular entities http://purl.obolibrary.org/obo/CHEBI_33673 3_STAR
CHEBI:33674 biolink:ChemicalSubstance s-block molecular entity An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element. phenio.json s-block compounds|s-block molecular entities|s-block molecular entity http://purl.obolibrary.org/obo/CHEBI_33674 3_STAR
CHEBI:33675 biolink:ChemicalSubstance p-block molecular entity A main group molecular entity that contains one or more atoms of a p-block element. phenio.json p-block compounds|p-block molecular entities|p-block molecular entitiy http://purl.obolibrary.org/obo/CHEBI_33675 3_STAR
CHEBI:33676 biolink:ChemicalSubstance d-block molecular entity A d-block molecular entity is a molecular entity containing one or more atoms of a d-block element. phenio.json d-block compounds|d-block molecular entities|d-block molecular entity http://purl.obolibrary.org/obo/CHEBI_33676 3_STAR
CHEBI:33677 biolink:ChemicalSubstance f-block molecular entity A molecular entity containing one or more atoms of an f-block element. phenio.json f-block compounds|f-block molecular entities http://purl.obolibrary.org/obo/CHEBI_33677 3_STAR
CHEBI:33679 biolink:ChemicalSubstance helium molecular entity phenio.json helium compounds|helium molecular entities|helium molecular entity http://purl.obolibrary.org/obo/CHEBI_33679 3_STAR
CHEBI:33680 biolink:ChemicalSubstance elemental helium phenio.json http://purl.obolibrary.org/obo/CHEBI_33680 3_STAR
CHEBI:33692 biolink:ChemicalSubstance hydrides Hydrides are chemical compounds of hydrogen with other chemical elements. phenio.json http://purl.obolibrary.org/obo/CHEBI_33692 3_STAR
CHEBI:33693 biolink:ChemicalSubstance oxygen hydride phenio.json hydrides of oxygen|oxygen hydride|oxygen hydrides http://purl.obolibrary.org/obo/CHEBI_33693 3_STAR
CHEBI:33694 biolink:ChemicalSubstance biomacromolecule A macromolecule formed by a living organism. phenio.json Biopolymere|biomacromolecules|biopolymer|biopolymers http://purl.obolibrary.org/obo/CHEBI_33694 3_STAR
CHEBI:33695 biolink:ChemicalSubstance information biomacromolecule phenio.json genetically encoded biomacromolecules|genetically encoded biopolymers|information biomacromolecules|information biopolymers|information macromolecule|information macromolecules http://purl.obolibrary.org/obo/CHEBI_33695 3_STAR
CHEBI:33696 biolink:ChemicalSubstance nucleic acid A macromolecule made up of nucleotide units and hydrolysable into certain pyrimidine or purine bases (usually adenine, cytosine, guanine, thymine, uracil), D-ribose or 2-deoxy-D-ribose and phosphoric acid. phenio.json NA|Nukleinsaeure|Nukleinsaeuren|acide nucleique|acides nucleiques|acido nucleico|acidos nucleicos|nucleic acids http://purl.obolibrary.org/obo/CHEBI_33696 3_STAR
CHEBI:33697 biolink:ChemicalSubstance ribonucleic acid High molecular weight, linear polymers, composed of nucleotides containing ribose and linked by phosphodiester bonds; RNA is central to the synthesis of proteins. CAS:63231-63-0 phenio.json RNA|RNS|Ribonukleinsaeure|pentosenucleic acids|ribonucleic acid|ribonucleic acids|ribose nucleic acid|yeast nucleic acid http://purl.obolibrary.org/obo/CHEBI_33697 3_STAR
CHEBI:33699 biolink:ChemicalSubstance messenger RNA An RNA molecule that transfers the coding information for protein synthesis from the chromosomes to the ribosomes mRNA is formed from a DNA template by transcription. It may be a copy of a single gene or of several adjacent genes (polycistronic mRNA). On the ribosome, the sequence is converted into the programmed amino acid sequence through translation. phenio.json mRNA|messenger RNA|template RNA http://purl.obolibrary.org/obo/CHEBI_33699 3_STAR
CHEBI:33700 biolink:ChemicalSubstance proteinogenic amino-acid residue phenio.json canonical amino-acid residue|canonical amino-acid residues|common amino acid residues|proteinogenic amino-acid residues|standard amino acid residues|standard amino-acid residues http://purl.obolibrary.org/obo/CHEBI_33700 3_STAR
CHEBI:33702 biolink:ChemicalSubstance polyatomic cation A cation consisting of more than one atom. phenio.json polyatomic cations http://purl.obolibrary.org/obo/CHEBI_33702 3_STAR
CHEBI:33703 biolink:ChemicalSubstance amino-acid cation phenio.json amino acid cation|amino acid cations|amino-acid cations http://purl.obolibrary.org/obo/CHEBI_33703 3_STAR
CHEBI:33704 biolink:ChemicalSubstance alpha-amino acid An amino acid in which the amino group is located on the carbon atom at the position alpha to the carboxy group. KEGG:C00045|KEGG:C05167 phenio.json Amino acid|Amino acids|alpha-amino acid|alpha-amino acids|alpha-amino carboxylic acids http://purl.obolibrary.org/obo/CHEBI_33704 3_STAR
CHEBI:33706 biolink:ChemicalSubstance beta-amino acid A non-proteinogenic amino acid in which the amino group is located on the carbon atom at the position beta to the carboxy group. phenio.json beta-amino acid|beta-amino acids http://purl.obolibrary.org/obo/CHEBI_33706 3_STAR
CHEBI:33707 biolink:ChemicalSubstance gamma-amino acid A non-proteinogenic amino-acid in which the amino group is located on the carbon atom at the position gamma to the carboxy group. phenio.json gamma-amino acid|gamma-amino acids http://purl.obolibrary.org/obo/CHEBI_33707 3_STAR
CHEBI:33708 biolink:ChemicalSubstance amino-acid residue When two or more amino acids combine to form a peptide, the elements of water are removed, and what remains of each amino acid is called an amino-acid residue. phenio.json amino acid residue|amino acid residues|amino-acid residue|amino-acid residues http://purl.obolibrary.org/obo/CHEBI_33708 3_STAR
CHEBI:33709 biolink:ChemicalSubstance amino acid A carboxylic acid containing one or more amino groups. Wikipedia:Amino_acid phenio.json Aminocarbonsaeure|Aminokarbonsaeure|Aminosaeure|amino acids http://purl.obolibrary.org/obo/CHEBI_33709 3_STAR
CHEBI:3371 biolink:ChemicalSubstance capreomycin CAS:11003-38-6|KEGG:C01790|KEGG:D07607 phenio.json Capreomycin|capreomycins http://purl.obolibrary.org/obo/CHEBI_3371 2_STAR
CHEBI:33710 biolink:ChemicalSubstance alpha-amino-acid residue An amino-acid residue derived from an alpha-amino acid. phenio.json alpha-amino-acid residues|an alpha-amino acid residue http://purl.obolibrary.org/obo/CHEBI_33710 3_STAR
CHEBI:33711 biolink:ChemicalSubstance C-terminal amino-acid residue The residue in a peptide that has a free carboxyl group, or at least does not acylate another amino-acid residue, is called C-terminal. phenio.json C-terminal amino-acid residue|C-terminal amino-acid residues|C-terminal residue|carboxyl-terminal residue http://purl.obolibrary.org/obo/CHEBI_33711 3_STAR
CHEBI:33712 biolink:ChemicalSubstance N-terminal amino-acid residue The residue in a peptide that has an amino group that is free, or at least not acylated by another amino-acid residue, is called N-terminal. phenio.json N-terminal amino-acid residues|N-terminal residue|amino-terminal residue http://purl.obolibrary.org/obo/CHEBI_33712 3_STAR
CHEBI:33713 biolink:ChemicalSubstance C-terminal alpha-amino-acid residue Any C-terminal amino-acid residue derived from an alpha-amino-acid. phenio.json C-terminal alpha-amino-acid residues http://purl.obolibrary.org/obo/CHEBI_33713 3_STAR
CHEBI:33715 biolink:ChemicalSubstance N-terminal alpha-amino-acid residue KEGG:C01076 phenio.json N-Terminal amino acid|N-terminal alpha-amino-acid residues http://purl.obolibrary.org/obo/CHEBI_33715 3_STAR
CHEBI:33716 biolink:ChemicalSubstance N-terminal proteinogenic amino-acid residue phenio.json N-terminal canonical amino-acid residue|N-terminal canonical amino-acid residues|N-terminal proteinogenic amino-acid residues http://purl.obolibrary.org/obo/CHEBI_33716 3_STAR
CHEBI:33717 biolink:ChemicalSubstance C-terminal proteinogenic amino-acid residue Any C-terminal alpha-amino-acid residue derived from a proteinogenic amino acid. phenio.json C-terminal canonical amino-acid residue|C-terminal canonical amino-acid residues|C-terminal proteinogenic amino-acid residues http://purl.obolibrary.org/obo/CHEBI_33717 3_STAR
CHEBI:33719 biolink:ChemicalSubstance alpha-amino-acid cation phenio.json alpha-amino acid cation|alpha-amino acid cations|alpha-amino-acid cations http://purl.obolibrary.org/obo/CHEBI_33719 3_STAR
CHEBI:33720 biolink:ChemicalSubstance carbohydrate acid phenio.json carbohydrate acid|carbohydrate acids http://purl.obolibrary.org/obo/CHEBI_33720 3_STAR
CHEBI:33721 biolink:ChemicalSubstance carbohydrate acid anion phenio.json carbohydrate acid anion|carbohydrate acid anions http://purl.obolibrary.org/obo/CHEBI_33721 3_STAR
CHEBI:33722 biolink:ChemicalSubstance tetra-mu3-sulfido-tetrairon(2+) Gmelin:82631 phenio.json Fe4S4(2+)|[4Fe-4S](2+)|[4Fe-4S](2+) cluster|[Fe4(mu3-S)4](2+)|[Fe4S4](2+)|tetra-mu3-sulfido-tetrairon(2+) http://purl.obolibrary.org/obo/CHEBI_33722 3_STAR
CHEBI:33723 biolink:ChemicalSubstance tetra-mu3-sulfido-tetrairon(1+) Gmelin:101580 phenio.json Fe4S4(+)|[4Fe-4S](1+)|[4Fe-4S](1+) cluster|[Fe4(mu3-S)4](+)|[Fe4S4](+)|tetra-mu3-sulfido-tetrairon(1+) http://purl.obolibrary.org/obo/CHEBI_33723 3_STAR
CHEBI:33726 biolink:ChemicalSubstance proteinogenic amino-acid residue anion phenio.json canonical amino-acid residue anion|canonical amino-acid residue anions|proteinogenic amino-acid residue anions http://purl.obolibrary.org/obo/CHEBI_33726 3_STAR
CHEBI:33727 biolink:ChemicalSubstance proteinogenic amino-acid residue cation phenio.json canonical amino-acid residue cation|canonical amino-acid residue cations|proteinogenic amino-acid residue cations http://purl.obolibrary.org/obo/CHEBI_33727 3_STAR
CHEBI:33728 biolink:ChemicalSubstance proteinogenic amino-acid residue radical phenio.json canonical amino-acid residue radical|canonical amino-acid residue radicals|proteinogenic amino-acid residue radicals http://purl.obolibrary.org/obo/CHEBI_33728 3_STAR
CHEBI:33729 biolink:ChemicalSubstance tetritol phenio.json tetritol|tetritols http://purl.obolibrary.org/obo/CHEBI_33729 3_STAR
CHEBI:33731 biolink:ChemicalSubstance cluster A cluster is a number of metal centres grouped close together which can have direct metal bonding interactions or interactions through a bridging ligand, but are not necessarily held together by these interactions. phenio.json cluster|cluster compound|cluster compounds|clusters|polynuclear clusters http://purl.obolibrary.org/obo/CHEBI_33731 3_STAR
CHEBI:33733 biolink:ChemicalSubstance heteronuclear cluster phenio.json hetero-nuclear clusters|heteronuclear cluster|heteronuclear clusters http://purl.obolibrary.org/obo/CHEBI_33733 3_STAR
CHEBI:33737 biolink:ChemicalSubstance di-mu-sulfido-diiron(2+) Gmelin:25647 phenio.json [2Fe-2S](2+)|[Fe2(mu-S)2](2+)|[Fe2S2](2+)|di-mu-sulfido-diiron(2+)|di-mu-sulfido-diiron(III) http://purl.obolibrary.org/obo/CHEBI_33737 3_STAR
CHEBI:33738 biolink:ChemicalSubstance di-mu-sulfido-diiron(1+) Gmelin:1485588 phenio.json [2Fe-2S](1+)|[Fe2(mu-S)2](+)|[Fe2S2](+)|di-mu-sulfido-diiron(1+)|di-mu-sulfido-diiron(II,III) http://purl.obolibrary.org/obo/CHEBI_33738 3_STAR
CHEBI:33739 biolink:ChemicalSubstance di-mu-sulfido-diiron(0) Gmelin:1780995|PDBeChem:FES phenio.json [2Fe-2S] cluster|[Fe2(mu-S)2](0)|[Fe2S2] cluster|[Fe2S2](0)|di-mu-sulfido-diiron(II)|di-mu-sulfidodiiron http://purl.obolibrary.org/obo/CHEBI_33739 3_STAR
CHEBI:3374 biolink:ChemicalSubstance capsaicin BPDB:1630|Beilstein:2816484|CAS:404-86-4|Drug_Central:3064|KEGG:C06866|KEGG:D00250|Wikipedia:Capsaicin phenio.json (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide|(E)-8-Methyl-N-vanillyl-6-nonenamide|Capsaicin|Isodecenoic acid vanillylamide|Zostrix|capsaicin|trans-8-Methyl-N-vanillyl-6-nonenamide http://purl.obolibrary.org/obo/CHEBI_3374 3_STAR
CHEBI:33741 biolink:ChemicalSubstance chromium group molecular entity phenio.json chromium group molecular entities|chromium group molecular entity http://purl.obolibrary.org/obo/CHEBI_33741 3_STAR
CHEBI:33742 biolink:ChemicalSubstance tungsten molecular entity phenio.json tungsten compounds|tungsten molecular entities|tungsten molecular entity http://purl.obolibrary.org/obo/CHEBI_33742 3_STAR
CHEBI:33743 biolink:ChemicalSubstance manganese group molecular entity phenio.json manganese group molecular entities|manganese group molecular entity http://purl.obolibrary.org/obo/CHEBI_33743 3_STAR
CHEBI:33744 biolink:ChemicalSubstance iron group molecular entity phenio.json iron group molecular entities|iron group molecular entity http://purl.obolibrary.org/obo/CHEBI_33744 3_STAR
CHEBI:33745 biolink:ChemicalSubstance copper group molecular entity phenio.json copper group molecular entities|copper group molecular entity http://purl.obolibrary.org/obo/CHEBI_33745 3_STAR
CHEBI:33746 biolink:ChemicalSubstance vanadium group molecular entity phenio.json vanadium group molecular entities|vanadium group molecular entity http://purl.obolibrary.org/obo/CHEBI_33746 3_STAR
CHEBI:33747 biolink:ChemicalSubstance nickel group molecular entity phenio.json nickel group molecular entities|nickel group molecular entity http://purl.obolibrary.org/obo/CHEBI_33747 3_STAR
CHEBI:33748 biolink:ChemicalSubstance nickel molecular entity phenio.json nickel compounds|nickel molecular entities|nickel molecular entity http://purl.obolibrary.org/obo/CHEBI_33748 3_STAR
CHEBI:33749 biolink:ChemicalSubstance platinum molecular entity phenio.json platinum compounds|platinum molecular entities|platinum molecular entity http://purl.obolibrary.org/obo/CHEBI_33749 3_STAR
CHEBI:3375 biolink:ChemicalSubstance capsanthin CAS:465-42-9|HMDB:HMDB0036590|KEGG:C08584|KNApSAcK:C00003763|LIPID_MAPS_instance:LMPR01070265|MetaCyc:CAPSANTHIN|PMID:19646292|PMID:22287739|PMID:23767359|Reaxys:2493991 phenio.json (3R,3'S,5'R)-3,3'-dihydroxy-beta,kappa-caroten-6'-one|Capsanthin|all-trans-capsanthin http://purl.obolibrary.org/obo/CHEBI_3375 3_STAR
CHEBI:33751 biolink:ChemicalSubstance tri-mu-sulfido-mu3-sulfido-triiron(1+) phenio.json [3Fe-4S](+)|[3Fe-4S](1+)|[3Fe-4S](1+) cluster|[Fe3S4](+)|tri-mu-sulfido-mu3-sulfido-triiron(1+)|tri-mu-sulfido-mu3-sulfido-triiron(III) http://purl.obolibrary.org/obo/CHEBI_33751 3_STAR
CHEBI:33752 biolink:ChemicalSubstance hexonic acid Any aldonic acid formed by oxidising the aldehyde group of an aldohexose to a carboxylic acid group. phenio.json aldohexonic acids|hexonic acid|hexonic acids http://purl.obolibrary.org/obo/CHEBI_33752 3_STAR
CHEBI:33753 biolink:ChemicalSubstance pentonic acid phenio.json aldopentonic acids|pentonic acid|pentonic acids http://purl.obolibrary.org/obo/CHEBI_33753 3_STAR
CHEBI:33754 biolink:ChemicalSubstance trionic acid phenio.json aldotrionic acids|trionic acid|trionic acids http://purl.obolibrary.org/obo/CHEBI_33754 3_STAR
CHEBI:33755 biolink:ChemicalSubstance tetronic acid phenio.json aldotetronic acids|tetronic acid|tetronic acids http://purl.obolibrary.org/obo/CHEBI_33755 3_STAR
CHEBI:33760 biolink:ChemicalSubstance hexonate phenio.json aldohexonates|hexonate|hexonates http://purl.obolibrary.org/obo/CHEBI_33760 3_STAR
CHEBI:33761 biolink:ChemicalSubstance pentonate An aldonate obtained by deprotonation of the carboxy group of any pentonic acid. phenio.json aldopentonates|pentonate|pentonates http://purl.obolibrary.org/obo/CHEBI_33761 3_STAR
CHEBI:33762 biolink:ChemicalSubstance tetronate phenio.json aldotetronates|tetronate|tetronates http://purl.obolibrary.org/obo/CHEBI_33762 3_STAR
CHEBI:33763 biolink:ChemicalSubstance trionate phenio.json aldotrionates|trionate|trionates http://purl.obolibrary.org/obo/CHEBI_33763 3_STAR
CHEBI:33764 biolink:ChemicalSubstance arabinonates phenio.json http://purl.obolibrary.org/obo/CHEBI_33764 3_STAR
CHEBI:33767 biolink:ChemicalSubstance cobalt group molecular entity phenio.json cobalt group molecular entities|cobalt group molecular entity http://purl.obolibrary.org/obo/CHEBI_33767 3_STAR
CHEBI:33768 biolink:ChemicalSubstance titanium group molecular entity phenio.json titanium group molecular entities|titanium group molecular entity http://purl.obolibrary.org/obo/CHEBI_33768 3_STAR
CHEBI:33769 biolink:ChemicalSubstance fuconates phenio.json http://purl.obolibrary.org/obo/CHEBI_33769 3_STAR
CHEBI:33772 biolink:ChemicalSubstance gluconic acid derivative A hexonic acid derivative that is formally obtained from gluconic acid. phenio.json gluconic acid derivatives|gluconic acids http://purl.obolibrary.org/obo/CHEBI_33772 3_STAR
CHEBI:33775 biolink:ChemicalSubstance lanthanoid molecular entity phenio.json lanthanoid compounds|lanthanoid molecular entities http://purl.obolibrary.org/obo/CHEBI_33775 3_STAR
CHEBI:33778 biolink:ChemicalSubstance galactonates phenio.json http://purl.obolibrary.org/obo/CHEBI_33778 3_STAR
CHEBI:3378 biolink:ChemicalSubstance capsorubin Beilstein:2494276|CAS:470-38-2|KEGG:C08585|KNApSAcK:C00003764|LIPID_MAPS_instance:LMPR01070048 phenio.json (3S,3'S,5R,5'R)-3,3'-dihydroxy-kappa,kappa-carotene-6,6'-dione|(3S,5R,3'S,5'R)-3,3'-dihydroxy-kappa,kappa-carotene-6,6'-dione|Capsorubin|all-trans-capsorubin http://purl.obolibrary.org/obo/CHEBI_3378 3_STAR
CHEBI:33780 biolink:ChemicalSubstance beryllium molecular entity phenio.json beryllium compounds|beryllium molecular entities http://purl.obolibrary.org/obo/CHEBI_33780 3_STAR
CHEBI:33791 biolink:ChemicalSubstance canonical nucleoside residue phenio.json canonical nucleoside residues|common nucleoside residues|nucleoside residue|standard nucleoside residues http://purl.obolibrary.org/obo/CHEBI_33791 3_STAR
CHEBI:33792 biolink:ChemicalSubstance canonical ribonucleoside residue phenio.json N|Nuc|canonical ribonucleoside residues|common ribonucleoside residue|common ribonucleoside residues|standard ribonucleoside residues http://purl.obolibrary.org/obo/CHEBI_33792 3_STAR
CHEBI:33793 biolink:ChemicalSubstance canonical deoxyribonucleoside residue phenio.json canonical deoxyribonucleoside residues|common 2'-deoxyribonucleoside residue|common 2'-deoxyribonucleoside residues|dN|dNuc|standard deoxyribonucleoside residues http://purl.obolibrary.org/obo/CHEBI_33793 3_STAR
CHEBI:33794 biolink:ChemicalSubstance tRNA(fMet) phenio.json formylmethionine tRNA|transfer RNA-fMet http://purl.obolibrary.org/obo/CHEBI_33794 3_STAR
CHEBI:33797 biolink:ChemicalSubstance glucaric acid derivative A hexanic acid derivative that is formally obtained from glucaric acid. phenio.json glucaric acid derivatives|glucaric acids http://purl.obolibrary.org/obo/CHEBI_33797 3_STAR
CHEBI:33798 biolink:ChemicalSubstance tetraric acid anion phenio.json tetrarate|tetrarates|tetraric acid anions http://purl.obolibrary.org/obo/CHEBI_33798 3_STAR
CHEBI:3380 biolink:ChemicalSubstance captopril A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. Beilstein:477887|CAS:62571-86-2|DrugBank:DB01197|Drug_Central:484|KEGG:D00251|LINCS:LSM-5648|PMID:23137627|PMID:23161035|PMID:23278692|PMID:23299024|PMID:23328620|PMID:23397376|PMID:23410042|PMID:23422724|PMID:23429803|PMID:23435971|PMID:2420897|Patent:US4046889|Patent:US4105776|Wikipedia:Captopril phenio.json (2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid|1-[(2S)-2-methyl-3-sulfanylpropanoyl]-L-proline|Acepress|Apopril|CP|Capoten|Captolane|Captopryl|Captoril|Cesplon|D-2-methyl-3-mercaptopropanoyl-L-proline|D-3-mercapto-2-methylpropanoyl-L-proline|Dilabar|Garranil|Hypertil|L-Captopril|Lopirin|Tenosbon|Tensobon|Tensoprel|captopril|captoprilum http://purl.obolibrary.org/obo/CHEBI_3380 3_STAR
CHEBI:33801 biolink:ChemicalSubstance D-glucarate(1-) phenio.json D-saccharate|D-saccharate(1-)|hydrogen D-glucarate http://purl.obolibrary.org/obo/CHEBI_33801 3_STAR
CHEBI:33804 biolink:ChemicalSubstance gluconates phenio.json http://purl.obolibrary.org/obo/CHEBI_33804 3_STAR
CHEBI:33805 biolink:ChemicalSubstance 2-amino-2-deoxy-D-gluconate A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 2-amino-2-deoxy-D-gluconic acid. phenio.json (2R,3R,4S,5R)-2-amino-3,4,5,6-tetrahydroxyhexanoate|2-amino-2-deoxy-D-gluconate http://purl.obolibrary.org/obo/CHEBI_33805 3_STAR
CHEBI:33808 biolink:ChemicalSubstance galacturonic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_33808 3_STAR
CHEBI:33809 biolink:ChemicalSubstance digalacturonic acid KEGG:C02273 phenio.json Digalacturonic acid http://purl.obolibrary.org/obo/CHEBI_33809 3_STAR
CHEBI:33812 biolink:ChemicalSubstance galacturonates phenio.json http://purl.obolibrary.org/obo/CHEBI_33812 3_STAR
CHEBI:33820 biolink:ChemicalSubstance iduronate phenio.json http://purl.obolibrary.org/obo/CHEBI_33820 3_STAR
CHEBI:33821 biolink:ChemicalSubstance mannuronate phenio.json http://purl.obolibrary.org/obo/CHEBI_33821 3_STAR
CHEBI:33822 biolink:ChemicalSubstance organic hydroxy compound An organic compound having at least one hydroxy group attached to a carbon atom. phenio.json hydroxy compounds|organic alcohol|organic hydroxy compounds http://purl.obolibrary.org/obo/CHEBI_33822 3_STAR
CHEBI:33823 biolink:ChemicalSubstance enol Alkenols; the term refers specifically to vinylic alcohols, which have the structure HOCR'=CR2. Enols are tautomeric with aldehydes (R' = H) or ketones (R' =/= H). phenio.json alkenols|enol|enols http://purl.obolibrary.org/obo/CHEBI_33823 3_STAR
CHEBI:33828 biolink:ChemicalSubstance xylonic acid A pentonic acid resulting from the formal oxidation of the aldehyde group of aldehydo-xylose to the corresponding carboxylic acid. Wikipedia:Xylonic_acid phenio.json rel-(2R,3S,4R)-2,3,4,5-tetrahydroxypentanoic acid http://purl.obolibrary.org/obo/CHEBI_33828 3_STAR
CHEBI:33830 biolink:ChemicalSubstance galacturonic acid CAS:14982-50-4|DrugBank:DB03511|KEGG:C08348|PMID:24315943 phenio.json Galacturonic acid http://purl.obolibrary.org/obo/CHEBI_33830 3_STAR
CHEBI:33832 biolink:ChemicalSubstance organic cyclic compound Any organic molecule that consists of atoms connected in the form of a ring. phenio.json organic cyclic compounds http://purl.obolibrary.org/obo/CHEBI_33832 3_STAR
CHEBI:33833 biolink:ChemicalSubstance heteroarene A heterocyclic compound formally derived from an arene by replacement of one or more methine (-C=) and/or vinylene (-CH=CH-) groups by trivalent or divalent heteroatoms, respectively, in such a way as to maintain the continuous pi-electron system characteristic of aromatic systems and a number of out-of-plane pi-electrons corresponding to the Hueckel rule (4n+2). phenio.json hetarenes|heteroarenes http://purl.obolibrary.org/obo/CHEBI_33833 3_STAR
CHEBI:33835 biolink:ChemicalSubstance anthrone A member of the class of anthracenes that is 9,10-dihydroanthracene carrying an oxo group at C-9. CAS:90-44-8|Gmelin:875472|PMID:14500876|PMID:21452374|PMID:21462270|PMID:21659042|PMID:22494822|PMID:23212388|PMID:8234446|Reaxys:1910173|Wikipedia:Anthrone phenio.json 9(10H)-anthracenone|9,10-dihydro-9-oxoanthracene|9-oxoanthracene|Az-O|anthracen-9(10H)-one|anthranone|anthrone|carbothrone http://purl.obolibrary.org/obo/CHEBI_33835 3_STAR
CHEBI:33836 biolink:ChemicalSubstance benzenoid aromatic compound phenio.json benzenoid aromatic compounds|benzenoid compound http://purl.obolibrary.org/obo/CHEBI_33836 3_STAR
CHEBI:33837 biolink:ChemicalSubstance conjugated protein Conjugated protein is a protein that contains a non-peptide component, usually in stoichiometric proportion. COMe:PRX000001 phenio.json complex protein|conjugated proteins http://purl.obolibrary.org/obo/CHEBI_33837 3_STAR
CHEBI:33838 biolink:ChemicalSubstance nucleoside An N-glycosyl compound that has both a nucleobase, normally adenine, guanine, xanthine, thymine, cytosine or uracil, and either a ribose or deoxyribose as functional parents. KEGG:C00801|Wikipedia:Nucleoside phenio.json Nucleoside|a nucleoside|nucleosides http://purl.obolibrary.org/obo/CHEBI_33838 3_STAR
CHEBI:33839 biolink:ChemicalSubstance macromolecule A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass. Wikipedia:Macromolecule phenio.json macromolecule|macromolecules|polymer|polymer molecule|polymers http://purl.obolibrary.org/obo/CHEBI_33839 3_STAR
CHEBI:338412 biolink:ChemicalSubstance (-)-anisomycin An antibiotic isolated from various Streptomyces species. It interferes with protein and DNA synthesis by inhibiting peptidyl transferase or the 80S ribosome system. CAS:22862-76-6|DrugBank:DB07374|KEGG:C11281|LINCS:LSM-4047|PDBeChem:ANM|PMID:16005213|PMID:22004851|PMID:23192275|PMID:23525555|PMID:23582782|PMID:24333448|PMID:6834379|Reaxys:20705|Wikipedia:Anisomycin phenio.json (2R,3S,4S)-4-hydroxy-2-(4-methoxybenzyl)pyrrolidin-3-yl acetate|1,4,5-Trideoxy-1,4-imino-5-(p-methoxyphenyl)-D-xylo-pentitol 3-acetate|2-(p-Methoxybenzyl)-3,4-pyrrolidinediol 3-acetate|2-p-Methoxyphenylmethyl-3-acetoxy-4-hydroxypyrrolidine|Anisomycin http://purl.obolibrary.org/obo/CHEBI_338412 3_STAR
CHEBI:33842 biolink:ChemicalSubstance aromatic annulene phenio.json aromatic annulenes http://purl.obolibrary.org/obo/CHEBI_33842 3_STAR
CHEBI:33843 biolink:ChemicalSubstance arabinonic acid derivative A pentonic acid derivative that is formally obtained from arabinonic acid. phenio.json arabinonic acid derivatives|arabinonic acids http://purl.obolibrary.org/obo/CHEBI_33843 3_STAR
CHEBI:33847 biolink:ChemicalSubstance monocyclic arene A monocyclic aromatic hydrocarbon. phenio.json monocyclic arenes http://purl.obolibrary.org/obo/CHEBI_33847 3_STAR
CHEBI:33848 biolink:ChemicalSubstance polycyclic arene A polycyclic aromatic hydrocarbon. PMID:15198916|PMID:25679824|Wikipedia:Polycyclic_aromatic_hydrocarbon phenio.json PAH|PAHs|polycyclic arenes|polycyclic aromatic hydrocarbons http://purl.obolibrary.org/obo/CHEBI_33848 3_STAR
CHEBI:3385 biolink:ChemicalSubstance carbachol Beilstein:3917459|CAS:51-83-2|DrugBank:DB00411|KEGG:D00524|Patent:DE539329|Patent:US1894162|Wikipedia:Carbachol phenio.json (2-Carbamoyloxyethyl)trimethylammonium chloride|(2-Hydroxyethyl)trimethyl ammonium chloride carbamate|(2-Hydroxyethyl)trimethylammonium chloride carbamate|2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride|2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride|2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride|Carbachol chloride|Choline carbamate chloride|Choline chloride, carbamate|Choline chlorine carbamate|Karbachol|Karbamoylcholin chlorid|carbachol|carbacholum|carbacol http://purl.obolibrary.org/obo/CHEBI_3385 3_STAR
CHEBI:33853 biolink:ChemicalSubstance phenols Organic aromatic compounds having one or more hydroxy groups attached to a benzene or other arene ring. KEGG:C15584|MetaCyc:Phenols|Wikipedia:Phenols phenio.json Aryl alcohol|a phenol|arenols|phenols http://purl.obolibrary.org/obo/CHEBI_33853 3_STAR
CHEBI:33854 biolink:ChemicalSubstance aromatic alcohol Any alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. phenio.json an aromatic alcohol|aromatic alcohols|aryl alcohol|aryl alcohols http://purl.obolibrary.org/obo/CHEBI_33854 3_STAR
CHEBI:33855 biolink:ChemicalSubstance arenecarbaldehyde Any aldehyde in which the carbonyl group is attached to an aromatic moiety. KEGG:C00193|MetaCyc:Aryl-Aldehyde phenio.json Aromatic aldehyde|an aromatic aldehyde|arenecarbaldehyde|arenecarbaldehydes|aryl aldehyde|aryl aldehydes http://purl.obolibrary.org/obo/CHEBI_33855 3_STAR
CHEBI:33856 biolink:ChemicalSubstance aromatic amino acid An amino acid whose structure includes an aromatic ring. KEGG:C01021|Wikipedia:Aromatic_amino_acid phenio.json Aromatic amino acid|aromatic amino acids http://purl.obolibrary.org/obo/CHEBI_33856 3_STAR
CHEBI:33857 biolink:ChemicalSubstance aromatic primary alcohol Any primary alcohol in which the alcoholic hydroxy group is attached to a carbon which is itself bonded to an aromatic ring. KEGG:C03485 phenio.json Aromatic primary alcohol|an aromatic primary alcohol|aromatic primary alcohols http://purl.obolibrary.org/obo/CHEBI_33857 3_STAR
CHEBI:33859 biolink:ChemicalSubstance aromatic carboxylic acid Any carboxylic acid in which the carboxy group is directly bonded to an aromatic ring. phenio.json aromatic carboxylic acids http://purl.obolibrary.org/obo/CHEBI_33859 3_STAR
CHEBI:33860 biolink:ChemicalSubstance aromatic amine An amino compound in which the amino group is linked directly to an aromatic system. phenio.json aromatic amines|aryl amine|aryl amines|arylamine|arylamines http://purl.obolibrary.org/obo/CHEBI_33860 3_STAR
CHEBI:33861 biolink:ChemicalSubstance transition element coordination entity phenio.json transition element coordination entities|transition metal coordination compounds|transition metal coordination entities http://purl.obolibrary.org/obo/CHEBI_33861 3_STAR
CHEBI:33862 biolink:ChemicalSubstance platinum coordination entity phenio.json platinum coordination compounds|platinum coordination entities|platinum coordination entity http://purl.obolibrary.org/obo/CHEBI_33862 3_STAR
CHEBI:33864 biolink:ChemicalSubstance gulonates phenio.json http://purl.obolibrary.org/obo/CHEBI_33864 3_STAR
CHEBI:33865 biolink:ChemicalSubstance rhamnonates phenio.json http://purl.obolibrary.org/obo/CHEBI_33865 3_STAR
CHEBI:33866 biolink:ChemicalSubstance mannonates phenio.json http://purl.obolibrary.org/obo/CHEBI_33866 3_STAR
CHEBI:33867 biolink:ChemicalSubstance idonates phenio.json http://purl.obolibrary.org/obo/CHEBI_33867 3_STAR
CHEBI:33868 biolink:ChemicalSubstance altronates phenio.json http://purl.obolibrary.org/obo/CHEBI_33868 3_STAR
CHEBI:33869 biolink:ChemicalSubstance ribonates phenio.json http://purl.obolibrary.org/obo/CHEBI_33869 3_STAR
CHEBI:3387 biolink:ChemicalSubstance carbamazepine A dibenzoazepine that is 5H-dibenzo[b,f]azepine carrying a carbamoyl substituent at the azepine nitrogen, used as an anticonvulsant. CAS:298-46-4|DrugBank:DB00564|Drug_Central:489|HMDB:HMDB0014704|KEGG:C06868|KEGG:D00252|LINCS:LSM-3610|PMID:10411478|PMID:11071486|PMID:11129121|PMID:11240598|PMID:11475584|PMID:11595204|PMID:11888243|PMID:11891095|PMID:12073283|PMID:12228880|PMID:12475188|PMID:12749779|PMID:12799799|PMID:12957643|PMID:14160216|PMID:14572037|PMID:14581052|PMID:14713026|PMID:14723323|PMID:15165631|PMID:15557493|PMID:15665743|PMID:15683742|PMID:15739418|PMID:15820347|PMID:15850602|PMID:16033627|PMID:16150575|PMID:16245817|PMID:16380297|PMID:16394456|PMID:16437428|PMID:16538175|PMID:16562645|PMID:16616830|PMID:16990009|PMID:17027750|PMID:17028629|PMID:17207414|PMID:17582711|PMID:17873967|PMID:17949959|PMID:18163657|PMID:18415623|PMID:18637155|PMID:18652684|PMID:18656520|PMID:18969759|PMID:19135617|PMID:19473818|PMID:19741433|PMID:19921623|PMID:22322005|PMID:27967303|PMID:7602118|Patent:US2004220187|Patent:US2007167446|Patent:US2011177136|Patent:US2011245283|Patent:US2948718|Reaxys:1246090|Wikipedia:Carbamazepine phenio.json 5-Carbamoyl-5H-dibenz(b,f)azepine|5-Carbamoyl-5H-dibenzo(b,f)azepine|5-Carbamyl-5H-dibenzo(b,f)azepine|5-carbamoyl-5H-dibenz[b,f]azepine|5H-Dibenz(b,f)azepine-5-carboxamide|5H-dibenzo[b,f]azepine-5-carboxamide|Carbamazepen|Carnexiv|carbamazepina|carbamazepine|carbamazepinum http://purl.obolibrary.org/obo/CHEBI_3387 3_STAR
CHEBI:33871 biolink:ChemicalSubstance glycerate A hydroxy monocarboxylic acid anion that is the conjugate base of glyceric acid, obtained by deprotonation of the carboxy group. Reaxys:3602204 phenio.json glycerate http://purl.obolibrary.org/obo/CHEBI_33871 3_STAR
CHEBI:33883 biolink:ChemicalSubstance fructuronic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_33883 3_STAR
CHEBI:33885 biolink:ChemicalSubstance alpha-D-galacturonic acid The alpha-anomer of D-galacturonic acid. Gmelin:1221534|PDBeChem:ADA|Reaxys:1285547 phenio.json alpha-D-galactopyranuronic acid http://purl.obolibrary.org/obo/CHEBI_33885 3_STAR
CHEBI:33886 biolink:ChemicalSubstance glucuronic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_33886 3_STAR
CHEBI:33888 biolink:ChemicalSubstance cobalt molecular entity phenio.json cobalt compounds|cobalt molecular entities|cobalt molecular entity http://purl.obolibrary.org/obo/CHEBI_33888 3_STAR
CHEBI:33890 biolink:ChemicalSubstance cobalt coordination entity phenio.json cobalt coordination compounds|cobalt coordination entities|cobalt coordination entity http://purl.obolibrary.org/obo/CHEBI_33890 3_STAR
CHEBI:33892 biolink:ChemicalSubstance iron coordination entity phenio.json iron coordination compounds|iron coordination entities|iron coordination entity http://purl.obolibrary.org/obo/CHEBI_33892 3_STAR
CHEBI:33893 biolink:ChemicalSubstance reagent A substance used in a chemical reaction to detect, measure, examine, or produce other substances. phenio.json reactif|reactivo|reagent|reagents http://purl.obolibrary.org/obo/CHEBI_33893 3_STAR
CHEBI:33897 biolink:ChemicalSubstance iduronic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_33897 3_STAR
CHEBI:33898 biolink:ChemicalSubstance mannuronic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_33898 3_STAR
CHEBI:33899 biolink:ChemicalSubstance tagaturonic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_33899 3_STAR
CHEBI:33900 biolink:ChemicalSubstance tagaturonate phenio.json tagaturonates http://purl.obolibrary.org/obo/CHEBI_33900 3_STAR
CHEBI:33901 biolink:ChemicalSubstance fructuronates phenio.json http://purl.obolibrary.org/obo/CHEBI_33901 3_STAR
CHEBI:33903 biolink:ChemicalSubstance glucuronates phenio.json http://purl.obolibrary.org/obo/CHEBI_33903 3_STAR
CHEBI:33904 biolink:ChemicalSubstance molluscicide A substance used to destroy pests of the phylum Mollusca. Wikipedia:Molluscicide phenio.json molluscicides http://purl.obolibrary.org/obo/CHEBI_33904 3_STAR
CHEBI:33905 biolink:ChemicalSubstance heptose A seven-carbon monosaccharide which in its linear form contains either an aldehyde group at position 1 (aldoheptose) or a ketone group at position 2 (ketoheptose). phenio.json heptose|heptoses http://purl.obolibrary.org/obo/CHEBI_33905 3_STAR
CHEBI:33906 biolink:ChemicalSubstance cobalt corrinoid phenio.json cobalt corrinoids|cobalt-corrinoids http://purl.obolibrary.org/obo/CHEBI_33906 3_STAR
CHEBI:33907 biolink:ChemicalSubstance cob(III)yrinic acid CAS:33593-50-9|Gmelin:480742|KEGG:C05773 phenio.json 3,3',3'',3'''-{[(1R,2S,3S,7S,8S,17R,18R,19R)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethylcorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt(III)|Cob(II)yrinate|Cob(II)yrinic acid|Cobyrinate|Cobyrinic acid|Cobyrinsaeure|cobyrinic acid http://purl.obolibrary.org/obo/CHEBI_33907 3_STAR
CHEBI:33909 biolink:ChemicalSubstance metallotetrapyrrole phenio.json metal-tetrapyrrole|metal-tetrapyrrole complex|metallotetrapyrroles http://purl.obolibrary.org/obo/CHEBI_33909 3_STAR
CHEBI:3391 biolink:ChemicalSubstance carbazole CAS:86-74-8|KEGG:C08060 phenio.json Carbazole|carbazole http://purl.obolibrary.org/obo/CHEBI_3391 3_STAR
CHEBI:33910 biolink:ChemicalSubstance chlorins Dihydroporphyrin compounds where saturated carbon atoms are located at the nonfused carbon atoms of one of the pyrrole rings. phenio.json chlorins http://purl.obolibrary.org/obo/CHEBI_33910 3_STAR
CHEBI:33913 biolink:ChemicalSubstance corrinoid A derivative of the corrin nucleus, which contains four reduced or partly reduced pyrrole rings joined in a macrocycle by three =C- groups and one direct carbon-carbon bond linking alpha positions. KEGG:C06021 phenio.json Corrinoid|Corrinoid protein|Corrinoid protein Co+|Korrinoid|corrinoid|corrinoide|corrinoides|corrinoids http://purl.obolibrary.org/obo/CHEBI_33913 3_STAR
CHEBI:33914 biolink:ChemicalSubstance aldotriose phenio.json aldotrioses http://purl.obolibrary.org/obo/CHEBI_33914 3_STAR
CHEBI:33915 biolink:ChemicalSubstance aldotetrose phenio.json aldotetrose|aldotetroses http://purl.obolibrary.org/obo/CHEBI_33915 3_STAR
CHEBI:33916 biolink:ChemicalSubstance aldopentose A pentose with a (potential) aldehyde group at one end. PMID:10723607 phenio.json aldopentose|aldopentoses http://purl.obolibrary.org/obo/CHEBI_33916 3_STAR
CHEBI:33917 biolink:ChemicalSubstance aldohexose A hexose with a (potential) aldehyde group at one end. phenio.json aldohexose|aldohexoses http://purl.obolibrary.org/obo/CHEBI_33917 3_STAR
CHEBI:33918 biolink:ChemicalSubstance aldoheptose A heptose with a (potential) aldehyde group at one end. phenio.json aldoheptose|aldoheptoses http://purl.obolibrary.org/obo/CHEBI_33918 3_STAR
CHEBI:3392 biolink:ChemicalSubstance carbendazim A member of the class of benzimidazoles that is 2-aminobenzimidazole in which the primary amino group is substituted by a methoxycarbonyl group. A fungicide, carbendazim controls Ascomycetes, Fungi Imperfecti, and Basidiomycetes on a wide variety of crops, including bananas, cereals, cotton, fruits, grapes, mushrooms, ornamentals, peanuts, sugarbeet, soybeans, tobacco, and vegetables. CAS:10605-21-7|HMDB:HMDB0031769|KEGG:C10897|PMID:20833408|PMID:21315898|PMID:22077925|PMID:22903170|PPDB:116|Patent:US3010968|Pesticides:carbendazim|Reaxys:649044|Wikipedia:Carbendazim phenio.json 1H-benzimidazol-2-ylcarbamic acid methyl ester|2-(Methoxy-carbonylamino)-benzimidazol|2-(methoxycarbonylamino)-benzimidazole|2-(methoxycarbonylamino)benzimidazole|2-benzimidazolecarbamic acid methyl ester|BMC|Carbendazim|MBC|Mecarzole|carbendazim|carbendazime|methyl 1H-benzimidazol-2-ylcarbamate|methyl 2-benzimidazolecarbamate|methyl benzimidazol-2-ylcarbamate http://purl.obolibrary.org/obo/CHEBI_3392 3_STAR
CHEBI:33920 biolink:ChemicalSubstance ketoaldose Monosaccharides which contain both an aldehydic and a ketonic carbonyl group in equilibrium with intramolecular hemiacetal forms. phenio.json aldoketose|aldoketoses|aldosulose|aldosuloses|ketoaldose|ketoaldoses http://purl.obolibrary.org/obo/CHEBI_33920 3_STAR
CHEBI:33921 biolink:ChemicalSubstance ketoaldohexose phenio.json ketoaldohexose|ketoaldohexoses http://purl.obolibrary.org/obo/CHEBI_33921 3_STAR
CHEBI:33922 biolink:ChemicalSubstance sugar dianhydride Cyclic products of condensation of two monosaccharide molecules with the elimination of two molecules of water. phenio.json sugar anhydride|sugar anhydrides|sugar dianhydrides http://purl.obolibrary.org/obo/CHEBI_33922 3_STAR
CHEBI:33926 biolink:ChemicalSubstance dialdose Monosaccharides containing two (potential) aldehydic carbonyl groups. phenio.json dialdose|dialdoses http://purl.obolibrary.org/obo/CHEBI_33926 3_STAR
CHEBI:3393 biolink:ChemicalSubstance carbenicillin A penicillin antibiotic having a 6beta-2-carboxy-2-phenylacetamido side-chain. CAS:4697-36-3|DrugBank:DB00578|Drug_Central:492|HMDB:HMDB0014717|KEGG:C06869|KEGG:D07614|PMID:12569987|PMID:22648337|PMID:6176550|Patent:US3142673|Reaxys:1230663|Wikipedia:Carbenicillin phenio.json (2S,5R,6R)-6-{[carboxy(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|6beta-(2-carboxy-2-phenylacetamido)-2,2-dimethylpenam-3alpha-carboxylic acid|CBPC|N-(2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)hept-6-yl)-2-phenylmalonamic acid|alpha-carboxybenzylpencillin|alpha-phenyl(carboxymethylpenicillin)|carbenicilina|carbenicillin|carbenicilline|carbenicillinum|carboxybenzylpenicillin http://purl.obolibrary.org/obo/CHEBI_3393 3_STAR
CHEBI:33937 biolink:ChemicalSubstance macronutrient Any nutrient required in large quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Macronutrients are usually chemical elements (carbon, hydrogen, nitrogen, oxygen, phosphorus and sulfur) that humans consume in the largest quantities. Calcium, sodium, magnesium and potassium are sometimes included as macronutrients because they are required in relatively large quantities compared with other vitamins and minerals. phenio.json macronutrients http://purl.obolibrary.org/obo/CHEBI_33937 3_STAR
CHEBI:33942 biolink:ChemicalSubstance ribose Any aldopentose where the open-chain form has all the hydroxy groups on the same side in the Fischer projection. Occurrs in two enantiomeric forms, D- and L-ribose, of which only the former is found in nature. phenio.json Rib|ribo-pentose|ribose http://purl.obolibrary.org/obo/CHEBI_33942 3_STAR
CHEBI:33946 biolink:ChemicalSubstance erythrose KNApSAcK:C00007412|PMID:24934564|Wikipedia:Erythrose phenio.json http://purl.obolibrary.org/obo/CHEBI_33946 3_STAR
CHEBI:33949 biolink:ChemicalSubstance ketoheptose A heptose with a (potential) ketone group at the 2-position. phenio.json ketoheptose|ketoheptoses http://purl.obolibrary.org/obo/CHEBI_33949 3_STAR
CHEBI:3395 biolink:ChemicalSubstance carbidopa The hydrate of 3-(3,4-dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a dopa decarboxylase inhibitor, so prevents conversion of levodopa to dopamine. It has no antiparkinson activity by itself, but is used in the management of Parkinson's disease to reduce peripheral adverse effects of levodopa. CAS:38821-49-7|DrugBank:DB00190|KEGG:D00558|PMID:10841799|Patent:DE2062285|Patent:DE2062332|Patent:GB940596|Patent:US3462536 phenio.json (-)-L-alpha-hydrazino-3,4-dihydroxy-alpha-methylhydrocinnamic acid monohydrate|(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid hydrate|(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid monohydrate|(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid--water (1/1)|(S)-(-)-carbidopa hydrate|(S)-carbidopa hydrate|(alphaS)-alpha-hydrazino-3,4-dihydroxy-alpha-methylbenzenepropanoic acid monohydrate|L-alpha-(3,4-dihydroxybenzyl)-alpha-hydrazinopropionic acid monohydrate|carbidopa|carbidopa hydrate|carbidopa monohydrate|carbidopum monohydricum http://purl.obolibrary.org/obo/CHEBI_3395 3_STAR
CHEBI:33950 biolink:ChemicalSubstance psicose derivative A deoxyketohexose derivative that is formally obtained from a psicose. phenio.json psicose derivatives|psicoses http://purl.obolibrary.org/obo/CHEBI_33950 3_STAR
CHEBI:33951 biolink:ChemicalSubstance psicose A ketohexose that is the C-3 epimer of fructose. PMID:22224918|PMID:22569636|Wikipedia:Psicose phenio.json allulose http://purl.obolibrary.org/obo/CHEBI_33951 3_STAR
CHEBI:33953 biolink:ChemicalSubstance tagatose derivative A ketohexose derivative that is formally obtained from a tagatose. phenio.json tagatose derivatives|tagatoses http://purl.obolibrary.org/obo/CHEBI_33953 3_STAR
CHEBI:33954 biolink:ChemicalSubstance tagatose A ketohexose used as a functional sweetener. phenio.json http://purl.obolibrary.org/obo/CHEBI_33954 3_STAR
CHEBI:33956 biolink:ChemicalSubstance ribulose derivative A ketopentose derivative that is formally obtained from ribulose. phenio.json ribulose derivatives|ribuloses http://purl.obolibrary.org/obo/CHEBI_33956 3_STAR
CHEBI:33957 biolink:ChemicalSubstance xylulose derivative A ketopentose derivative that is formally obtained from xyulose. phenio.json xylulose derivatives|xyluloses http://purl.obolibrary.org/obo/CHEBI_33957 3_STAR
CHEBI:33958 biolink:ChemicalSubstance halide salt phenio.json halide salts|halides http://purl.obolibrary.org/obo/CHEBI_33958 3_STAR
CHEBI:33964 biolink:ChemicalSubstance silver molecular entity phenio.json silver compounds|silver molecular entities|silver molecular entity http://purl.obolibrary.org/obo/CHEBI_33964 3_STAR
CHEBI:33966 biolink:ChemicalSubstance elemental silver phenio.json http://purl.obolibrary.org/obo/CHEBI_33966 3_STAR
CHEBI:33968 biolink:ChemicalSubstance silver salt phenio.json silver salts http://purl.obolibrary.org/obo/CHEBI_33968 3_STAR
CHEBI:33969 biolink:ChemicalSubstance gold molecular entity phenio.json gold compounds|gold molecular entities|gold molecular entity http://purl.obolibrary.org/obo/CHEBI_33969 3_STAR
CHEBI:33970 biolink:ChemicalSubstance elemental gold phenio.json http://purl.obolibrary.org/obo/CHEBI_33970 3_STAR
CHEBI:33971 biolink:ChemicalSubstance gold coordination entity phenio.json gold coordination compounds|gold coordination entities http://purl.obolibrary.org/obo/CHEBI_33971 3_STAR
CHEBI:33973 biolink:ChemicalSubstance elemental magnesium phenio.json http://purl.obolibrary.org/obo/CHEBI_33973 3_STAR
CHEBI:33975 biolink:ChemicalSubstance magnesium salt phenio.json magnesium salts http://purl.obolibrary.org/obo/CHEBI_33975 3_STAR
CHEBI:33976 biolink:ChemicalSubstance magnesium coordination entity phenio.json magnesium coordination compounds|magnesium coordination entities|magnesium coordination entity http://purl.obolibrary.org/obo/CHEBI_33976 3_STAR
CHEBI:33980 biolink:ChemicalSubstance quinovose A deoxyglucose that is glucose in which the hydroxy group at position 6 has been replaced by a hydrogen. KNApSAcK:C00001128|PMID:24689225 phenio.json 6-deoxyglucose|epifucose http://purl.obolibrary.org/obo/CHEBI_33980 3_STAR
CHEBI:33983 biolink:ChemicalSubstance deoxymannose phenio.json deoxymannoses http://purl.obolibrary.org/obo/CHEBI_33983 3_STAR
CHEBI:33984 biolink:ChemicalSubstance fucose Any deoxygalactose that is deoxygenated at the 6-position. CAS:7724-73-4|KEGG:C00382|PMID:12651883 phenio.json 6-Deoxygalactose|6-deoxygalactose|Fuc|Fucose|fucose http://purl.obolibrary.org/obo/CHEBI_33984 3_STAR
CHEBI:33985 biolink:ChemicalSubstance muramates phenio.json http://purl.obolibrary.org/obo/CHEBI_33985 3_STAR
CHEBI:33986 biolink:ChemicalSubstance muramate phenio.json 2-amino-3-O-[(1R)-1-carboxylatoethyl]-2-deoxy-D-glucose http://purl.obolibrary.org/obo/CHEBI_33986 3_STAR
CHEBI:33992 biolink:ChemicalSubstance (-)-catechin The (-)-enantiomer of catechin. CAS:18829-70-4|KEGG:C14079|KNApSAcK:C00008808 phenio.json (-)-Catechin|(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-benzopyran-3,5,7-triol|(2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol|catechin L-form http://purl.obolibrary.org/obo/CHEBI_33992 3_STAR
CHEBI:3403 biolink:ChemicalSubstance carboprost Prostaglandin F2alpha in which the hydrogen at position 15 is substituted by methyl (S configuration). It is used as an abortifacient agent that is effective in both the first and second trimesters of pregnancy. Beilstein:2949991|CAS:35700-23-3|Chemspider:4444532|DrugBank:DB00429|Drug_Central:502|KEGG:C06872|KEGG:D02343|PMID:15104835|PMID:17267874|PMID:17692579|PMID:24348762|PMID:25643261|PMID:25822922|PMID:26149245|PMID:26622459|PMID:27651609|PMID:28526143|PMID:30293295|PMID:32695003|Patent:DE2121980|Patent:US3728382|Wikipedia:Carboprost phenio.json (15S)-15-methyl-PGF2alpha|(15S)-15-methylprostaglandin F2alpha|(5Z,13E,15S)-9alpha,11alpha,15-trihydroxy-15-methylprosta-5,13-dien-1-oic acid|15(S)-15-methyl-PGF2alpha|15(S)-15-methylprostaglandin F2alpha|carboprost|carboprostum http://purl.obolibrary.org/obo/CHEBI_3403 3_STAR
CHEBI:34037 biolink:ChemicalSubstance 1,2,3-trimethylbenzene A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea. CAS:526-73-8|Gmelin:326517|HMDB:HMDB0059901|KEGG:C14518|PMID:10028199|PMID:11109746|PMID:1129786|PMID:22349896|PMID:23365607|PMID:9117193|Reaxys:1903410|Wikipedia:1,2,3-Trimethylbenzene phenio.json 1,2,3-Trimethylbenzene|1,2,3-trimethylbenzene|Hemimellitene|hemellitol|hemimellitol http://purl.obolibrary.org/obo/CHEBI_34037 3_STAR
CHEBI:3404 biolink:ChemicalSubstance carboprost tromethamine The tromethamine salt of carboprost. It is used as an abortifacient agent that is effective in both the first and second trimesters of pregnancy. CAS:58551-69-2|DrugBank:DB00429|KEGG:D00682 phenio.json (15S)-15-methyl-PGF2alpha tromethamine salt|(15S)-15-methylprostaglandin F2alpha tromethamine|(5Z,9alpha,11beta,13E,15S)-9,11,15-trihydroxy-15-methylprosta-5,13-dien-1-oic acid - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)|1,3-dihydroxy-2-(hydroxymethyl)propan-2-aminium (5Z,9alpha,11beta,13E,15S)-9,11,15-trihydroxy-15-methylprosta-5,13-dien-1-oate|15(S)-15-methyl-PGF2alpha tromethamine salt|15(S)-15-methylprostaglandin F2alpha tromethamine|carboprost trometamol http://purl.obolibrary.org/obo/CHEBI_3404 3_STAR
CHEBI:34043 biolink:ChemicalSubstance 1,2-phenylenediamine A phenylenediamine in which the two amino groups are ortho to each other. CAS:95-54-5|KEGG:C14402|PMID:23099167|PMID:23172354|PMID:23220522|PMID:23232561|PMID:23245188|PMID:23317160|PMID:23323634|PMID:23364618|PMID:23452313|PMID:2420897|PMID:9025914|Reaxys:606074|Wikipedia:O-Phenylenediamine phenio.json 1,2-Diaminobenzene|2-Aminoaniline|2-Phenylene diamine|OPDA|benzene-1,2-diamine|o-Phenylenediamine|phenylene-1,2-dimaine http://purl.obolibrary.org/obo/CHEBI_34043 3_STAR
CHEBI:3405 biolink:ChemicalSubstance carboxin An anilide obtained by formal condensation of the amino group of aniline with the carboxy group of 2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxylic acid. A fungicide for control of bunts and smuts that is normally used as a seed treatment. CAS:5234-68-4|KEGG:C11255|LINCS:LSM-25660|MetaCyc:CPD0-1366|PDBeChem:CBE|PMID:21228470|PMID:23047320|PMID:23261124|PMID:24119086|PMID:24785712|PMID:30724184|PMID:34065659|PMID:35182799|PMID:5386172|PMID:5487095|PMID:974232|PPDB:122|Patent:EP0042182|Pesticides:carboxin|Reaxys:983249 phenio.json 2,3-Dihydro-5-carboxanilido-6-methyl-1,4-oxathiin|2,3-Dihydro-6-methyl-1,4-oxathiin-5-carboxanilide|2,3-Dihydro-6-methyl-5-phenylcarbamoyl-1,4-oxathiin|2-methyl-N-phenyl-5,6-dihydro-1,4-oxathiine-3-carboxamide|5,6-Dihydro-2-methyl-1,4-oxathiin-3-carboxanilide|5,6-Dihydro-2-methyl-3-carboxanilido-1,4-oxathiin|5,6-Dihydro-2-methyl-N-phenyl-1,4-oxathiin-3-carboxamide|5-Carboxanilido-2,3-dihydro-6-methyl-1,4-oxathiin|Carbathiin|Carboxine|oxatin http://purl.obolibrary.org/obo/CHEBI_3405 3_STAR
CHEBI:34055 biolink:ChemicalSubstance 1,2-naphthoquinone The parent structure of the family of 1,2-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 2 of the naphthalene ring. It is a metabolite of naphthalene and is found in diesel exhaust particles. CAS:524-42-5|KEGG:C14783|MetaCyc:CPD-4895|PMID:11697855|PMID:17941623|PMID:21963991|PMID:22218491|PMID:24554396|PMID:27853106|PMID:29108775|PMID:30222979|PMID:30794404|PMID:31932556|PMID:32474273|PMID:32526934|PMID:6321045|PMID:7204331|PMID:8268208|Reaxys:606546|Wikipedia:1,2-Naphthoquinone phenio.json 1,2-dihydro-1,2-diketo-naphthalene|1,2-dihydronaphthalene-1,2-dione|1,2-naphthalenedione|beta-naphthoquinone|naphthalene-1,2-dione|o-naphthoquinone|ortho-naphthoquinone http://purl.obolibrary.org/obo/CHEBI_34055 3_STAR
CHEBI:34063 biolink:ChemicalSubstance naphthalene-1,4-diol Beilstein:1307689|CAS:571-60-8|Gmelin:240851|KEGG:C14785 phenio.json 1,4-Dihydroxynaphthalene|1,4-Naphthohydroquinone|1,4-naphthalenediol|Naphthalene-1,4-diol|naphthalene-1,4-diol http://purl.obolibrary.org/obo/CHEBI_34063 3_STAR
CHEBI:34071 biolink:ChemicalSubstance 1-arachidonoyl-sn-glycerol A 1-acyl-sn-glycerol where arachidonoyl forms the 1-acyl group. Beilstein:9806383|CAS:124511-15-5|KEGG:C13857|Reaxys:9229411 phenio.json (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate|(S)-glyceryl 1-arachidonate|1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycerol|1-Arachidonoyl-sn-glycerol|1-Arachidonoylglycerol http://purl.obolibrary.org/obo/CHEBI_34071 3_STAR
CHEBI:34073 biolink:ChemicalSubstance Delta(1)-progesterone A 3-oxo Delta(4)-steroid that is progesterone which has been oxidised to introduce a double bond between positions 1 and 2. CAS:1162-54-5|KEGG:C14677|Reaxys:1999508 phenio.json 1,2-dehydroprogesterone|1,2-didehydroprogesterone|1-Dehydroprogesterone|3,20-dioxo-1,4-pregnadiene|3,20-dioxo-pregna-1,4-diene|Pregna-1,4-diene-3,20-dione|delta1-Progesterone|pregna-1,4-diene-3,20-dione http://purl.obolibrary.org/obo/CHEBI_34073 3_STAR
CHEBI:340863 biolink:ChemicalSubstance 2-phospholactic acid The phosphoric acid monoester resulting from formal condensation of the alcohol group of lactic acid with phosphoric acid. Beilstein:1725492|PMID:12383012 phenio.json 2-(phosphonooxy)propanoic acid|2-phospho-DL-lactic acid|phospholactic acid http://purl.obolibrary.org/obo/CHEBI_340863 3_STAR
CHEBI:34097 biolink:ChemicalSubstance 1-Naphthylacetylspermine CAS:122306-11-0|KEGG:C13674 phenio.json 1-Naphthylacetylspermine http://purl.obolibrary.org/obo/CHEBI_34097 2_STAR
CHEBI:3410 biolink:ChemicalSubstance Carboxyphosphamide CAS:22788-18-7|HMDB:HMDB0060449|HMDB:HMDB0060687|KEGG:C07646 phenio.json Carboxycyclophosphamide|Carboxyphosphamide http://purl.obolibrary.org/obo/CHEBI_3410 2_STAR
CHEBI:34130 biolink:ChemicalSubstance 11,12-EET An EET obtained by formal epoxidation of the 11,12-double bond of arachidonic acid. CAS:123931-40-8|HMDB:HMDB0010409|KEGG:C14770|LIPID_MAPS_instance:LMFA03080004|Reaxys:5067342 phenio.json (+/-)11,12-EpETrE|(5Z,8Z)-10-{3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid|(5Z,8Z,14Z)-11,12-Epoxyeicosa-5,8,14-trienoic acid|(5Z,8Z,14Z)-11,12-Epoxyicosa-5,8,14-trienoic acid|11,12-EET|11,12-EpETrE|11,12-epoxy-5Z,8Z,11Z-icosatrienoic acid|11,12-epoxy-5Z,8Z,14Z-eicosatrienoic acid|11,12-epoxyarachidonic acid|all-cis-11,12-epoxyeicosa-5,8,11-trienoic acid http://purl.obolibrary.org/obo/CHEBI_34130 3_STAR
CHEBI:34133 biolink:ChemicalSubstance 11-oxotestosterone A 3-oxo Delta(4)-steroid that is testosterone carrying an additional oxo substituent at position 11. CAS:564-35-2|KEGG:C14256|MetaCyc:CPD-13749|PMID:26041454|PMID:26764051|PMID:27025723|PMID:27044511|PMID:27428878|PMID:27519632|PMID:27734466|PMID:27750118|PMID:27793721|PMID:27852761|PMID:27870212|PMID:27927697|PMID:28095297|PMID:28109018|PMID:28148717|PMID:28197868|PMID:28213303|PMID:28234803|PMID:28279673|PMID:28321875|PMID:28472487|PMID:28527702|PMID:28652135|PMID:28666831|PMID:28666855|Reaxys:3153665 phenio.json (17beta)-17-hydroxyandrost-4-ene-3,11-dione|11-Keto-testosterone|11-Ketotestosterone|17beta-Hydroxyandrost-4-ene-3,11-dione|17beta-hydroxyandrost-4-ene-3,11-dione http://purl.obolibrary.org/obo/CHEBI_34133 3_STAR
CHEBI:34134 biolink:ChemicalSubstance 11-Ketoandrosterone CAS:1231-82-9|KEGG:C14671 phenio.json 11-Ketoandrosterone|3alpha-Hydroxy-5alpha-androstane-11,17-dione http://purl.obolibrary.org/obo/CHEBI_34134 2_STAR
CHEBI:34144 biolink:ChemicalSubstance 12(R)-HETE A HETE having a (12R)-hydroxy group and (5Z)-, (8Z)-, (10E)- and (14Z)-double bonds. KEGG:C14822|KNApSAcK:C00000424|LIPID_MAPS_instance:LMFA03060008|PMID:2495992|PMID:2517876|PMID:3026490|PMID:9044430|Reaxys:4234647 phenio.json (5Z,8Z,10E,12R,14Z)-12-hydroxy-5,8,10,14-eicosatetraenoic acid|(5Z,8Z,10E,12R,14Z)-12-hydroxyeicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,12R,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,14Z)-(12R)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,14Z)-(12R)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid|12(R)-HETE|12(R)-hydroxy-5(Z),8(Z),10(E),14(Z)-eicosatetraenoic acid|12(R)-hydroxy-5,8,14-cis-10-trans-eicosatetraenoic acid|12(R)-hydroxyeicosatetraenoic acid|12R-HETE http://purl.obolibrary.org/obo/CHEBI_34144 3_STAR
CHEBI:34145 biolink:ChemicalSubstance 12(R)-HPETE A HPETE that is (5Z,8Z,10E,12R,14Z)-icosa-5,8,10,14-tetraenoic acid with the hydroperoxy group located at position 12 (the R-enantiomer). KEGG:C14812|LIPID_MAPS_instance:LMFA03060070 phenio.json (5Z,8Z,10E,12R,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,14Z)-(12R)-12-Hydroperoxyeicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,14Z)-(12R)-12-Hydroperoxyicosa-5,8,10,14-tetraenoic acid|12(R)-HPETE http://purl.obolibrary.org/obo/CHEBI_34145 3_STAR
CHEBI:34146 biolink:ChemicalSubstance 12(S)-HETE A HETE having a (12S)-hydroxy group and (5Z)-, (8Z)-, (10E)- and (14Z)-double bonds. CAS:54397-83-0|KEGG:C14777|KNApSAcK:C00000424|LIPID_MAPS_instance:LMFA03060007|PMID:10952974|PMID:11158968|PMID:11726629|PMID:11756509|PMID:12697425|PMID:15105833|PMID:17963719|PMID:2517876|PMID:25449650|PMID:3026490|PMID:7492988|PMID:7511046|PMID:7540838|PMID:7593207|PMID:7683691|PMID:7688315|Reaxys:2656104 phenio.json (12S)-12-hydroxy-5,8,14-cis-10-trans-eicosatetraenoic acid|(5Z,8Z,10E,12S,14Z)-12-hydroxyeicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyeicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,14Z)-(12S)-12-Hydroxyicosa-5,8,10,14-tetraenoic acid|12(S)-HETE|12(S)-hydroxy-5(Z),8(Z),10(E),14(Z)-eicosatetraenoic acid|12(S)-hydroxy-5,8,14(Z),10(E)-eicosatetraenoic acid|12(S)-hydroxyeicosatetraenoic acid|12S-HETE http://purl.obolibrary.org/obo/CHEBI_34146 3_STAR
CHEBI:34151 biolink:ChemicalSubstance 12-oxo-ETE An oxoicosatetraenoic acid having a 12-oxo group; and (5Z)-, (8Z), (10E)- and (14Z)-double bonds. CAS:108437-64-5|KEGG:C14807|LIPID_MAPS_instance:LMFA03060019|PMID:10692117|Reaxys:6958033 phenio.json (5Z,8Z,10E,14Z)-12-Oxoeicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,14Z)-12-Oxoicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,14Z)-12-oxoeicosa-5,8,10,14-tetraenoic acid|(5Z,8Z,10E,14Z)-12-oxoicosa-5,8,10,14-tetraenoic acid|12-KETE|12-OxoETE|12-keto-ETE|12-ketoeicosatetraenoic acid|12-oxo, 5c,8c,10t,14c-20:4|12-oxo-ETE http://purl.obolibrary.org/obo/CHEBI_34151 3_STAR
CHEBI:34154 biolink:ChemicalSubstance 13(S)-HODE An HODE (hydroxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (E and Z geometry, respectively) and the hydroxy group is at position 13 (with S-configuration). CAS:29623-28-7|KEGG:C14762|KNApSAcK:C00000403|LIPID_MAPS_instance:LMFA02000228|PDBeChem:243|PMID:16997127|PMID:25786212|PMID:26331820|Reaxys:3549663 phenio.json (13S)-Hydroxyoctadecadienoic acid|(9Z, 11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid|(9Z,11E)-(13S)-13-Hydroxyoctadeca-9,11-dienoic acid|(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid|13(S)-HODE http://purl.obolibrary.org/obo/CHEBI_34154 3_STAR
CHEBI:34157 biolink:ChemicalSubstance 14,15-EET An EET obtained by formal epoxidation of the 14,15-double bond of arachidonic acid. HMDB:HMDB0004264|KEGG:C14771|LIPID_MAPS_instance:LMFA03080005|PMID:19653681|Reaxys:4703440 phenio.json (+/-)14,15-EpETrE|(5Z,8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-5,8,11-trienoic acid|(5Z,8Z,11Z)-14,15-Epoxyeicosa-5.8.11-trienoic acid|(5Z,8Z,11Z)-14,15-Epoxyicosa-5.8.11-trienoic acid|14(15)-EpETrE|14,15-EpETrE|14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acid|14,15-epoxy-5Z,8Z,11Z-icosatrienoic acid|all-cis-14,15-epoxyeicosa-5,8,11-trienoic acid http://purl.obolibrary.org/obo/CHEBI_34157 3_STAR
CHEBI:34159 biolink:ChemicalSubstance 15-deoxy-Delta(12,14)-prostaglandin J2 A prostaglandin J derivative comprising prostaglandin J2 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions. HMDB:HMDB0005079|KEGG:C14717|LIPID_MAPS_instance:LMFA03010021|PMID:10917568|PMID:11030710|PMID:11872377|PMID:11961117|PMID:12032289|PMID:12970094|PMID:15487891|PMID:15694358|PMID:15750045|PMID:15821150|PMID:15843042|PMID:16413037|PMID:16795079|PMID:17074064|PMID:17074304|PMID:18278062|PMID:18367541|PMID:18671867|PMID:19050284|PMID:19299483|PMID:19494510|Reaxys:9220741 phenio.json (5Z,12E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid|15-Deoxy-PGJ2|15-Deoxy-delta-12,14-PGJ2|15-Deoxy-delta-12,14-prostaglandin J2|delta-12,14-15-Deoxy-PGJ2 http://purl.obolibrary.org/obo/CHEBI_34159 3_STAR
CHEBI:34172 biolink:ChemicalSubstance 16alpha-hydroxytestosterone A C19-steroid that is testosterone in which the hydrogen at the 16alpha position has been replaced by a hydroxy group. CAS:63-01-4|KEGG:C14600|PMID:1001810|PMID:14478807|PMID:5498128 phenio.json (16alpha,17beta)-16,17-dihydroxyandrost-4-en-3-one|16alpha,17beta-dihydroxyandrost-4-en-3-one http://purl.obolibrary.org/obo/CHEBI_34172 3_STAR
CHEBI:3419 biolink:ChemicalSubstance carisoprodol A carbamate ester that is the mono-N-isopropyl derivative of meprobamate (which is a significant metabolite). Carisoprodol interrupts neuronal communication within the reticular formation and spinal cord, resulting in sedation and alteration in pain perception. It is used as a muscle relaxant in the symptomatic treatment of musculoskeletal conditions associated with painful muscle spasm. CAS:78-44-4|DrugBank:DB00395|Drug_Central:509|HMDB:HMDB0014539|KEGG:C07927|KEGG:D00768|LINCS:LSM-5197|PMID:14521410|PMID:17725338|Patent:US2937119|Reaxys:1791537|Wikipedia:Carisoprodol phenio.json (+-)-2-methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate|(1-methylethyl)carbamic acid 2-(((aminocarbonyl)oxy)methyl)-2-methylpentyl ester|2-[(carbamoyloxy)methyl]-2-methylpentyl propan-2-ylcarbamate|2-methyl-2-propyl-1,3-propanediol carbamate isopropylcarbamate|2-methyl-2-propyltrimethylene carbamate isopropylcarbamate|Carisoprodol|N-isopropy-2-methyl-2-propyl-1,3-propanediol dicarbamate|carbamic acid 2-isopropylcarbamoyloxymethyl-2-methyl-pentyl ester|carisoprodol|carisoprodolum|isopropyl meprobamate http://purl.obolibrary.org/obo/CHEBI_3419 3_STAR
CHEBI:34202 biolink:ChemicalSubstance 2,2',4,4',5,5'-hexachlorobiphenyl Beilstein:1990497|CAS:35065-27-1|KEGG:C14201 phenio.json 1,1'-Biphenyl, 2,2',4,4',5,5'-hexachloro-|2,2',4,4',5,5'-Hexachlorobiphenyl|2,2',4,4',5,5'-hexachloro-1,1'-biphenyl|2,4,5,2',4',5'-Hexachlorobiphenyl|PCB 153 http://purl.obolibrary.org/obo/CHEBI_34202 3_STAR
CHEBI:3423 biolink:ChemicalSubstance carmustine A member of the class of N-nitrosoureas that is 1,3-bis(2-chloroethyl)urea in which one of the nitrogens is substituted by a nitroso group. CAS:154-93-8|DrugBank:DB00262|Drug_Central:512|KEGG:D00254|Wikipedia:Carmustine phenio.json 1,3-bis(2-chloroethyl)-1-nitrosourea|BCNU|Bicnu (TN)|Bischloroethyl nitrosourea|Carmustine|Gliadel|N,N'-Bis(2-chloroethyl)-N-nitrosourea|carmustina|carmustine|carmustinum http://purl.obolibrary.org/obo/CHEBI_3423 3_STAR
CHEBI:3424 biolink:ChemicalSubstance carnitinium A quaternary ammonium ion that is the the conjugate acid of carnitine. CAS:406-76-8|CAS:461-06-3|KEGG:C00487 phenio.json 3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium|3-hydroxy-4-(trimethylammonio)butanoic acid|Carnitine http://purl.obolibrary.org/obo/CHEBI_3424 3_STAR
CHEBI:34247 biolink:ChemicalSubstance 2,6-di-tert-butyl-4-methylphenol A member of the class of phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6. CAS:128-37-0|Chemspider:13835296|FooDB:FDB011992|HMDB:HMDB0033826|KEGG:C14693|KEGG:D02413|LINCS:LSM-19020|PMID:11837686|PMID:24612426|PMID:24617543|PMID:29864697|PMID:31029976|PMID:31780362|PMID:32304926|PMID:32322261|PMID:32387881|PMID:32397407|PMID:32963880|PMID:33039371|PMID:33091556|PMID:33519739|PMID:33792845|PMID:34013795|PMID:34041400|PMID:34443068|PMID:448040|Reaxys:1911640|Wikipedia:Butylated_hydroxytoluene phenio.json 1-hydroxy-4-methyl-2,6-di-tert-butylbenzene|2,6-bis(1,1-dimethylethyl)-4-methylphenol|2,6-di-t-butyl-4-methylphenol|2,6-di-t-butyl-p-cresol|2,6-di-tert-butyl-1-hydroxy-4-methylbenzene|2,6-di-tert-butyl-4-cresol|2,6-di-tert-butyl-4-hydroxytoluene|2,6-di-tert-butyl-4-methylhydroxybenzene|2,6-di-tert-butyl-4-methylphenol|2,6-di-tert-butyl-p-cresol|BHT|FEMA 2184|butylated hydroxytoluene|butylhydroxytoluene|o-di-tert-butyl-p-methylphenol http://purl.obolibrary.org/obo/CHEBI_34247 3_STAR
CHEBI:3429 biolink:ChemicalSubstance Carnosol CAS:5957-80-2|HMDB:HMDB0002121|KEGG:C09069|KNApSAcK:C00003410|LINCS:LSM-37166 phenio.json Carnosol http://purl.obolibrary.org/obo/CHEBI_3429 2_STAR
CHEBI:34306 biolink:ChemicalSubstance 20-HETE A HETE that consists of arachidonic acid bearing a hydroxy substituent at position 20. Beilstein:4693091|CAS:79551-86-3|KEGG:C14748|LIPID_MAPS_instance:LMFA03060009 phenio.json (5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoic acid|(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid|20-HETE|20-Hete|20-Hydroxy arachidonic acid|20-Hydroxyeicosatetraenoic acid|20-Hydroxyicosatetraenoic acid|20-hydroxyarachidonic acid http://purl.obolibrary.org/obo/CHEBI_34306 3_STAR
CHEBI:34310 biolink:ChemicalSubstance (24S)-24-hydroxycholesterol A 24-hydroxycholesterol that has S configuration at position 24. It is the major metabolic breakdown product of cholesterol in the brain. Beilstein:3218472|CAS:474-73-7|Chemspider:108790|FooDB:FDB022611|HMDB:HMDB0001419|KEGG:C13550|LIPID_MAPS_instance:LMST01010019|MetaCyc:CPD-7239|PMCID:PMC3846912|PMID:10884051|PMID:14574622|PMID:15061359|PMID:20671299|PMID:25539717|PMID:25577946|PMID:26745248|PMID:28153530|PMID:28322741|PMID:28346482|PMID:28576383|PMID:29462682|PMID:29550246|PMID:30029553|PMID:30245667|PMID:30594698|PMID:30802527|PMID:31136842|PMID:31322567|PMID:31654618|PMID:31981724|PMID:32169014|PMID:32382321|PMID:32392803|PMID:32855525|PMID:33051477|PMID:33118626|PMID:33192294|PMID:33219208|PMID:33561510|PMID:33792095|PMID:33837574 phenio.json (24S)-24-Hydroxycholesterol|(24S)-cholest-5-ene-3beta,24-diol|(24S)-hydroxycholesterol|(3beta,24S)-cholest-5-ene-3,24-diol|24(S)-hydroxycholesterol|24-Hydroxycholesterol|24S-OHC|24S-hydroxy-cholesterol|24S-hydroxycholesterol|Cerebrosterol|Cholest-5-ene-3,24-diol|cholest-5-en-3beta,24S-diol http://purl.obolibrary.org/obo/CHEBI_34310 3_STAR
CHEBI:34317 biolink:ChemicalSubstance 3,3',4,4',5-pentachlorobiphenyl A pentachlorobiphenyl in which the chlorines are located at the 3, 4, 5, 3', and 4' positions. CAS:57465-28-8|KEGG:C14573 phenio.json 3,3',4,4',5-Pentachlorobiphenyl|3,3',4,4',5-pentachloro-1,1'-biphenyl|3,4,3',4',5'-Pentachlorobiphenyl|3,4,5,3',4'-Penta coplanar polychlorinated biphenyl|3,4,5,3',4'-Pentachlorobiphenyl|PCB 126 http://purl.obolibrary.org/obo/CHEBI_34317 3_STAR
CHEBI:34342 biolink:ChemicalSubstance 3-methylcholanthrene A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position. CAS:56-49-5|KEGG:C14470|LINCS:LSM-5711|PMID:11922910|PMID:16359657|PMID:24658119|PMID:26076008|PMID:7561049|Reaxys:1913890|Wikipedia:Methylcholanthrene phenio.json 1,2-Dihydro-3-methylbenz(j)aceanthrylene|20-MC|20-Methylcholanthrene|3-MC|3-MCA|3-Methylcholanthrene|3-methyl-1,2-dihydrobenzo[j]aceanthrylene|3-methyl-1,2-dihydrocyclopenta[ij]tetraphene|MC|MCA|Methylcholanthrene http://purl.obolibrary.org/obo/CHEBI_34342 3_STAR
CHEBI:3435 biolink:ChemicalSubstance carrageenan A family of sulfated polysaccharides extracted from red seaweeds. The name is derived from a common name of red algae Chondrus crispus, "carrageen moss" (Irish moss). CAS:9000-07-1|KEGG:C08818|KEGG:D03411 phenio.json Carrageenan|carrageenan|carrageenans|carrageenin|carragheanin|carragheenan|carraghenan|carraghenans http://purl.obolibrary.org/obo/CHEBI_3435 3_STAR
CHEBI:34368 biolink:ChemicalSubstance stilbene-4,4'-diol Beilstein:2329460|CAS:659-22-3|Gmelin:1652560|KEGG:C14233 phenio.json 4,4'-(1,2-ethenediyl)bisphenol|4,4'-(ethene-1,2-diyl)diphenol|4,4'-Dihydroxystilbene|4,4'-ethene-1,2-diyldiphenol|p,p'-dihydroxystilbene|stilbene-4,4'-diol http://purl.obolibrary.org/obo/CHEBI_34368 3_STAR
CHEBI:3437 biolink:ChemicalSubstance carteolol Beilstein:1221735|CAS:51781-06-7|DrugBank:DB00521|Drug_Central:520|KEGG:C06874|KEGG:D07624|LINCS:LSM-1541|Patent:DE2302027|Patent:US3910924|Wikipedia:Carteolol phenio.json 5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydroquinolin-2(1H)-one|Carteolol|carteolol|carteololum http://purl.obolibrary.org/obo/CHEBI_3437 3_STAR
CHEBI:34373 biolink:ChemicalSubstance 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol CAS:64603-91-4|KEGG:C13693|KEGG:D04282|LINCS:LSM-5947 phenio.json 4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol|Gaboxadol|THIP http://purl.obolibrary.org/obo/CHEBI_34373 2_STAR
CHEBI:34380 biolink:ChemicalSubstance monobenzone The monobenzyl ether of hydroquinone. It is used as a topical drug for medical depigmentation. CAS:103-16-2|DrugBank:DB00600|Drug_Central:1834|KEGG:C14244|KEGG:D05072|LINCS:LSM-5642|PMID:14843106|PMID:20498710|PMID:21326294|PMID:21566576|PMID:21689385|PMID:32785935|Patent:EP0175701|Patent:WO8504101|Reaxys:1958305|Wikipedia:Monobenzone phenio.json 4-(Benzyloxyl)phenol|4-(Phenylmethoxy)phenol|4-(benzyloxy)phenol|4-Benzyloxy-phenol|4-Benzyloxyphenol|Benzyl p-hydroxyphenyl ether|Hydroquinone benzyl ether|Hydroquinone monobenzyl ether|MONOBENZYL ETHER OF HYDROQUINONE|Monobenzyl hydroquinone|monobenzona|monobenzone|monobenzonum|p-(Benzyloxy)phenol|p-Hydroxyphenyl benzyl ether http://purl.obolibrary.org/obo/CHEBI_34380 3_STAR
CHEBI:34385 biolink:ChemicalSubstance 4-aminopyridine An aromatic amine that is pyridine bearing a single amino substituent at position 4. An orphan drug in the US, it is used to improve walking in adults with multiple sclerosis. CAS:504-24-5|Drug_Central:4163|KEGG:C13728|KEGG:D04127|PDBeChem:4AP|PMID:11049865|PMID:12509600|PMID:12525889|PMID:12853442|PMID:12860480|PMID:14585815|PMID:14970964|PMID:15052305|PMID:15202573|PMID:15678081|PMID:16088375|PMID:16417531|PMID:16567254|PMID:16806301|PMID:17014896|PMID:17071731|PMID:17629412|PMID:18394011|PMID:19302905|PMID:19443164|PMID:19542906|PMID:19818752|PMID:19915712|PMID:19966074|PMID:20044444|PMID:20112006|PMID:20473651|PMID:20967295|PMID:21573085|PMID:21694807|PMID:22000073|PMID:22073939|PMID:22135060|PMID:22497693|PMID:22703551|PMID:22936332|PMID:23077091|PMID:23146002|PMID:7507992|PMID:8208758|PMID:8569870|PMID:8599505|PMID:8813586|PMID:9178370|PPDB:1348|Reaxys:105782|Wikipedia:Dalfampridine phenio.json 4-AP|4-Aminopyridine|4-Pyridinamine|4-Pyridylamine|Ampyra|Avitrol|Dalfampridine|N07XX07|fampridina|fampridine|fampridinum|gamma-Aminopyridine|p-Aminopyridine|pyridin-4-amine http://purl.obolibrary.org/obo/CHEBI_34385 3_STAR
CHEBI:3440 biolink:ChemicalSubstance carvacrol A phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient receptor potential V3 (TRPV3) and A1 (TRPA1). Beilstein:1860514|CAS:499-75-2|KEGG:C09840|KNApSAcK:C00000156|LIPID_MAPS_instance:LMPR0102090017|PMID:21447440|PMID:21544887|PMID:21815724|PMID:21879312|PMID:21938469|PMID:22002497|PMID:22129102|PMID:22139435|PMID:22183117|PMID:22273461|PMID:22289589|PMID:22305883|PMID:22308777|PMID:22328722|Wikipedia:Carvacrol phenio.json 1-Hydroxy-2-methyl-5-isopropylbenzene|1-Methyl-2-hydroxy-4-isopropylbenzene|2-Hydroxy-p-cymene|2-Methyl-5-(1-methylethyl)phenol|2-Methyl-5-isopropylphenol|2-methyl-5-(propan-2-yl)phenol|2-p-Cymenol|3-Isopropyl-6-methylphenol|5-Isopropyl-2-methylphenol|5-Isopropyl-o-cresol|Carvacrol|carvacrol http://purl.obolibrary.org/obo/CHEBI_3440 3_STAR
CHEBI:3441 biolink:ChemicalSubstance carvedilol A member of the class of carbazoles that is an adrenergic antagonist with non-selective beta- and alpha-1 receptor blocking properties which helps in the management of congestive heart failure. CAS:72956-09-3|DrugBank:DB01136|Drug_Central:522|HMDB:HMDB0015267|KEGG:C06875|KEGG:D00255|LINCS:LSM-1310|PMID:11389884|PMID:15184840|PMID:17383596|PMID:18992766|Patent:DE2815926|Patent:US4503067|Reaxys:1514452|Wikipedia:Carvedilol phenio.json (+-)-1-(Carbazol-4-yloxy)-3-((2-(o-methoxyphenoxy)ethyl)amino)-2-propanol|1-(9H-carbazol-4-yloxy)-3-{[2-(2-methoxyphenoxy)ethyl]amino}propan-2-ol|Carvedilol|SKF 105517|carvedilol|carvedilolum http://purl.obolibrary.org/obo/CHEBI_3441 3_STAR
CHEBI:34440 biolink:ChemicalSubstance 4-nonylphenol A member of the class of phenols that is phenol which is para-substituted with a nonyl group. CAS:104-40-5|HMDB:HMDB0038982|KEGG:C14550|LINCS:LSM-19987|PMID:18506497|PMID:21823570|PMID:22133150|PMID:24805085|PPDB:1543|Reaxys:2047450 phenio.json 4-Nonylphenol|4-n-Nonylphenol|4-nonylphenol|p-Nonylphenol|p-n-Nonylphenol|para Nonyl phenol http://purl.obolibrary.org/obo/CHEBI_34440 3_STAR
CHEBI:3445 biolink:ChemicalSubstance Cascarillin CAS:10118-56-6|KEGG:C09071|KNApSAcK:C00003412 phenio.json Cascarillin http://purl.obolibrary.org/obo/CHEBI_3445 2_STAR
CHEBI:34450 biolink:ChemicalSubstance 5,6-EET An EET obtained by formal epoxidation of the 5,6-double bond of arachidonic acid. CAS:81246-84-6|HMDB:HMDB0002190|KEGG:C14768|LIPID_MAPS_instance:LMFA03080002|Reaxys:4498036 phenio.json (+/-)5,6-EpETrE|(8Z,11Z,14Z)-5,6-Epoxyeicosa-8,11,14-trienoic acid|(8Z,11Z,14Z)-5,6-Epoxyicosa-8,11,14-trienoic acid|4-{3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoic acid|5,6-EET|5,6-EpETrE|5,6-Epoxy-8,11,14-eicosatrienoic acid|5,6-epoxy-8,11,14-icosatrienoic acid|5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid|5,6-epoxy-8Z,11Z,14Z-icosatrienoic acid http://purl.obolibrary.org/obo/CHEBI_34450 3_STAR
CHEBI:34457 biolink:ChemicalSubstance 5-Nitro-2-(3-phenylpropylamino)benzoic acid CAS:107254-86-4|KEGG:C13705|LINCS:LSM-24963 phenio.json 5-Nitro-2-(3-phenylpropylamino)benzoic acid|NPPB http://purl.obolibrary.org/obo/CHEBI_34457 2_STAR
CHEBI:34468 biolink:ChemicalSubstance 6-Cyano-7-nitroquinoxaline-2,3-dione CAS:115066-14-3|KEGG:C13668|LINCS:LSM-3184 phenio.json 6-Cyano-7-nitroquinoxaline-2,3-dione|CNQX http://purl.obolibrary.org/obo/CHEBI_34468 2_STAR
CHEBI:34477 biolink:ChemicalSubstance 6beta-hydroxytestosterone A 17beta-hydroxy steroid that is testosterone bearing an additional hydroxy substituent at the 6beta-position. CAS:62-99-7|HMDB:HMDB0006259|KEGG:C14497|LIPID_MAPS_instance:LMST02020054|PMID:10574192|PMID:15203039|PMID:22822673|Reaxys:2625776 phenio.json (6beta,17beta)-6,17-dihydroxyandrost-4-en-3-one|4-androsten-6beta,17beta-diol-3-one|6beta,17beta-Dihydroxyandrost-4-en-3-one|6beta,17beta-dihydroxy-4-androsten-3-one|6beta,17beta-dihydroxyandrost-4-en-3-one|6beta-Hydroxytestosterone http://purl.obolibrary.org/obo/CHEBI_34477 3_STAR
CHEBI:34479 biolink:ChemicalSubstance 7,8-dihydro-7-hydroxy-8S-glutathionylbenzo[a]pyrene A glutathione derivative in which the hydrogen of the side-chain thiol function of glutathione is substituted by a 7-hydroxy-7,8-dihydrobenzo[pqr]tetraphen-8-yl group. KEGG:C14856 phenio.json 7,8-Dihydro-7-hydroxy-8-S-glutathionyl-benzo[a]pyrene|L-gamma-glutamyl-S-(7-hydroxy-7,8-dihydrobenzo[pqr]tetraphen-8-yl)-L-cysteinylglycine http://purl.obolibrary.org/obo/CHEBI_34479 3_STAR
CHEBI:34483 biolink:ChemicalSubstance 7-hydroxyflavanone A monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 7. Beilstein:87355|CAS:6515-36-2|KEGG:C14290|KNApSAcK:C00008126|LIPID_MAPS_instance:LMPK12140018 phenio.json 2,3-dihydro-7-hydroxy-2-phenyl-4H-1-benzopyran-4-one|7-Hydroxyflavanone|7-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_34483 3_STAR
CHEBI:34485 biolink:ChemicalSubstance 8(R)-HPODE The 8(R)-isomer of HPODE. KEGG:C14831|LIPID_MAPS_instance:LMFA01040066|PMID:19286665|PMID:8662736 phenio.json (8R)-8-hydroperoxylinoleic acid|(8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoic acid|(9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid|8(R)-HPODE http://purl.obolibrary.org/obo/CHEBI_34485 3_STAR
CHEBI:34487 biolink:ChemicalSubstance 8(S)-HPETE A HPETE in which the hydroperoxy group is located at position 8S and the four double bonds at position 5, 9, 11 and 14 (the 5Z,9E,11Z,14Z-geoisomer). KEGG:C14823|LIPID_MAPS_instance:LMFA03060073|PMID:17045234 phenio.json (5Z,8S,9E,11Z,14Z)-8-hydroperoxyicosa-5,9,11,14-tetraenoic acid|(5Z,9E,11Z,14Z)-(8S)-8-Hydroperoxyeicosa-5,9,11,14-tetraenoic acid|(5Z,9E,11Z,14Z)-(8S)-8-Hydroperoxyicosa-5,9,11,14-tetraenoic acid|8(S)-HPETE http://purl.obolibrary.org/obo/CHEBI_34487 3_STAR
CHEBI:34490 biolink:ChemicalSubstance 8,9-EET An EET obtained by formal epoxidation of the 8,9-double bond of arachidonic acid. HMDB:HMDB0002232|KEGG:C14769|LIPID_MAPS_instance:LMFA03080003|Reaxys:4697201 phenio.json (+/-)8,9-EpETrE|(5Z)-7-{3-[(2Z,5Z)-undeca-2,5-dien-1-yl]oxiran-2-yl}hept-5-enoic acid|(5Z,11Z,14Z)-8,9-Epoxyeicosa-5,11,14-trienoic acid|(5Z,11Z,14Z)-8,9-Epoxyicosa-5,11,14-trienoic acid|8,9-EET|8,9-Epoxyeicosatrienoic acid|8,9-epoxy-5Z,11Z,14Z-eicosatrienoic acid|8,9-epoxy-5Z,11Z,14Z-icosatrienoic acid|8,9-epoxyicosatrienoic acid http://purl.obolibrary.org/obo/CHEBI_34490 3_STAR
CHEBI:34496 biolink:ChemicalSubstance 9(S)-HODE A 9-HODE in which the 9-hydroxy group has S-stereochemistry. CAS:73543-67-6|HMDB:HMDB0004670|KEGG:C14767|LIPID_MAPS_instance:LMFA01050278|PDBeChem:9HO|PMID:3151051|PMID:37497988|PMID:37576833|PMID:37822955|PMID:38608958|Reaxys:1914445 phenio.json (10E,12Z)-(9S)-9-Hydroxyoctadeca-10,12-dienoic acid|(9S)-Hydroxyoctadecadienoic acid|(9S)-Hydroxyoctadecadinoiec acid|(9S,10E,12Z)-9-hydroxyoctadeca-10,12-dienoic acid|9(S)-HODE|9-hydroxy-trans-10,cis-12-octadecadienoic acid|9S-HODE|9S-hydroxy-10E,12Z-octadecadienoic acid|[S-(E,Z)]-9-hydroxy-10,12-octadecadienoic acid|alpha-dimorphecolic http://purl.obolibrary.org/obo/CHEBI_34496 3_STAR
CHEBI:34498 biolink:ChemicalSubstance 9(S)-HPODE An HPODE (hydroperoxy-octadecadienoic acid) in which the double bonds are at positions 10 and 12 (E and Z geometry, respectively) and the hydroperoxy group is at position 9 (S configuration). It is an intermediate in the metabolic pathway for linoleic acid. CAS:29774-12-7|KEGG:C14827|KNApSAcK:C00000393|LIPID_MAPS_instance:LMFA02000012|PMID:11696374|PMID:15670154|PMID:17085514|Reaxys:4192711 phenio.json (10E,12Z)-(9S)-9-Hydroperoxyoctadeca-10,12-dienoic acid|(9S,10E,12Z)-9-hydroperoxy-10,12-octadecadienoic acid|(9S,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid|9(S)-HPOD|9(S)-HPODE|9(S)-HpODE http://purl.obolibrary.org/obo/CHEBI_34498 3_STAR
CHEBI:34507 biolink:ChemicalSubstance 9-anthroic acid An anthroic acid carrying the carboxy substituent at position 9. CAS:723-62-6|Gmelin:876899|KEGG:C13699|PMID:23000075|PMID:24522228|Reaxys:1875336 phenio.json 9-Anthroic acid|9-anthracenecarboxylic acid|9-carboxyanthracene|A9C|ANCA|Anthracene-9-carboxylic acid|anthracene-10-carboxylic acid|anthracene-9-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_34507 3_STAR
CHEBI:34522 biolink:ChemicalSubstance Acetyleugenol CAS:93-28-7|HMDB:HMDB0034122|KEGG:C14567 phenio.json Acetyleugenol http://purl.obolibrary.org/obo/CHEBI_34522 2_STAR
CHEBI:34536 biolink:ChemicalSubstance Amrinone lactate CAS:75898-90-7|KEGG:C13594|KEGG:D02084 phenio.json Amrinone lactate|Inamrinone lactate http://purl.obolibrary.org/obo/CHEBI_34536 2_STAR
CHEBI:34543 biolink:ChemicalSubstance argipressin The predominant form of mammalian vasopressin (antidiuretic hormone). It is a nonapeptide containing an arginine at residue 8 and two disulfide-linked cysteines at residues of 1 and 6. CAS:113-79-1|Drug_Central:2810|KEGG:C13662|KEGG:D02983|PMID:741201|PMID:8385171|Reaxys:10773460|Wikipedia:Vasopressin phenio.json 1-{[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-arginylglycinamide|8-Arginine-vasopressin|8-L-Arginine vasopressin|8-L-arginine-vasopressin|ADH|AVP|Arg-vasopressin|Argipressin|Argipressin tannate|Vasopressin (arginine form)|[Arg8]-vasopressin|[cyclo S-S]CYFQNCPRG-NH2|arginine vasopressin|arginine-vasopressin|argipresina|argipressine|argipressinum http://purl.obolibrary.org/obo/CHEBI_34543 3_STAR
CHEBI:34545 biolink:ChemicalSubstance Azimilide CAS:149908-53-2|Drug_Central:274|KEGG:C13777 phenio.json Azimilide|azimilide HCl|azimilide dihydrochloride|azimilide hydrochloride http://purl.obolibrary.org/obo/CHEBI_34545 2_STAR
CHEBI:34548 biolink:ChemicalSubstance BMS 204352 CAS:187523-35-9|KEGG:C13830|KEGG:D04192 phenio.json BMS 204352|Flindokalner http://purl.obolibrary.org/obo/CHEBI_34548 2_STAR
CHEBI:34558 biolink:ChemicalSubstance Benzamil CAS:2898-76-2|KEGG:C13751|LINCS:LSM-3945 phenio.json Benzamil http://purl.obolibrary.org/obo/CHEBI_34558 2_STAR
CHEBI:34559 biolink:ChemicalSubstance benzarone CAS:1477-19-6|Drug_Central:317|KEGG:C14474 phenio.json 2-Ethyl-3-(4-hydroxybenzoyl)benzofuran|Benzarone|benzaron http://purl.obolibrary.org/obo/CHEBI_34559 2_STAR
CHEBI:3456 biolink:ChemicalSubstance Cassine CAS:5227-24-7|KEGG:C10136|KNApSAcK:C00002027 phenio.json Cassine http://purl.obolibrary.org/obo/CHEBI_3456 2_STAR
CHEBI:34560 biolink:ChemicalSubstance Benzo[a]pyrene-4,5-oxide CAS:37574-47-3|HMDB:HMDB0060091|KEGG:C14851 phenio.json Benzo[a]pyrene-4,5-epoxide|Benzo[a]pyrene-4,5-oxide http://purl.obolibrary.org/obo/CHEBI_34560 2_STAR
CHEBI:34578 biolink:ChemicalSubstance Bisphenol A diglycidyl ether CAS:1675-54-3|HMDB:HMDB0032737|KEGG:C14348|LINCS:LSM-1345 phenio.json 2,2-Bis(4-glycidyloxyphenyl)propane|Bisphenol A diglycidyl ether http://purl.obolibrary.org/obo/CHEBI_34578 2_STAR
CHEBI:34593 biolink:ChemicalSubstance Bufuralol CAS:54340-62-4|Drug_Central:424|KEGG:C13769 phenio.json (+/-)-Bufuralol|Bufuralol|dl-Bufuralol http://purl.obolibrary.org/obo/CHEBI_34593 2_STAR
CHEBI:34608 biolink:ChemicalSubstance captan A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops. CAS:133-06-2|KEGG:C14438|PMID:20433167|PMID:20569196|PMID:21121628|PMID:21381057|PMID:21381058|PMID:23692481|PMID:23742211|PMID:6578186|PMID:9530801|PPDB:114|Patent:US2553771|Patent:US2653155|Patent:US2713058|Pesticides:captan|Wikipedia:Captan phenio.json 1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide|2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione|3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide|Amercide|Bangton|Captab|Captadin|Captaf|Captanex|Captex|ENT 26,538|Hexacap|Kaptan|Malipur|Merpan|N-(trichloromethylmercapto)-Delta(4)-tetrahydrophthalimide|N-[(trichloromethyl)thio]tetrahydrophthalimide|N-trichloromethylmercapto-4-cyclohexene-1,2-dicarboximide|N-trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide|N-trichloromethylthiocyclohex-4-ene-1,2-dicarboximide|Neracid|Orthocide|Osocide|SR 406|SR406|Vanicide|Venturin|Vondcaptan|Zenecal|captane http://purl.obolibrary.org/obo/CHEBI_34608 3_STAR
CHEBI:34630 biolink:ChemicalSubstance chlorpropham A carbamate ester that is the isopropyl ester of 3-chlorophenylcarbamic acid. CAS:101-21-3|KEGG:C14506|PMID:21757399|PMID:22753523|PMID:22982221|PMID:23295769|PMID:23674283|PMID:23708426|PMID:24166079|PPDB:153|Reaxys:2211397|Wikipedia:Chlorpropham phenio.json (3-Chlorophenyl)carbamic acid, 1-methylethyl ester|1-Methylethyl (3-chlorophenyl)carbamate|3-Chlorocarbanilic acid, isopropyl ester|Chloropropham|Chlorprophame|Isopropyl 3-chlorocarbanilate|Isopropyl 3-chlorophenylcarbamate|Isopropyl N-(3-chlorophenyl)carbamate|Isopropyl N-(m-chlorophenyl)carbamate|Isopropyl m-chlorocarbanilate|Isopropyl meta-chlorocarbanilate|Isopropyl-N-(3-chlorophenyl)carbamate|Isopropyl-N-(3-chlorphenyl)-carbamat|Isopropyl-N-3-chlorophenyl carbamate|Isopropyl-N-m-chlorophenyl-carbamate|Isopropyl-m-chlorocarbanilate|N-(3-Chlorophenyl)carbamic acid, isopropyl ester|N-(3-Chlorophenyl)isopropyl carbamate|N-3-Chlorophenylisopropylcarbamate|O-Isopropyl N-(3-chlorophenyl)carbamate|isopropyl (3-chlorophenyl)carbamate|m-Chlorocarbanilic acid isopropyl ester|m-Chlorocarbanilic acid, isopropyl ester|propan-2-yl (3-chlorophenyl)carbamate http://purl.obolibrary.org/obo/CHEBI_34630 3_STAR
CHEBI:34631 biolink:ChemicalSubstance chlorpyrifos An organic thiophosphate that is O,O-diethyl hydrogen phosphorothioate in which the hydrogen of the hydroxy group has been replaced by a 3,5,6-trichloropyridin-2-yl group. CAS:2921-88-2|HMDB:HMDB0041856|KEGG:C14322|KEGG:D07688|PMID:11882345|PMID:18166376|PMID:31152760|PPDB:154|Pesticides:chlorpyrifos|Reaxys:1545756|Wikipedia:Chlorpyrifos phenio.json Bolton|Brodan|Chlorpyrifos|Chlorpyrifos-ethyl|Chlorpyriphos|Cobalt|Detmol|Dowco 179|Dursban|Empire|Equity|Eradex|Lentrek|Lock-On|Lorsban|Nufos|O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) phosphorothioate|O,O-diethyl O-(3,5,6-trichloropyridin-2-yl) thiophosphate|Phosphorothioic acid, O,O-diethyl O-(3,5,6-trichloro-2-pyridinyl) ester|Piridane|Stipend|Tricel|Trichlorpyrphos|Warhawk|chlorpyrifos|chlorpyrifos ethyl|m-Chlorpyrifos|o,o-Diethyl-o-(3,5,6-trichloro-2-pyridyl)phosphorothioate http://purl.obolibrary.org/obo/CHEBI_34631 3_STAR
CHEBI:34638 biolink:ChemicalSubstance chromomycin A3 Beilstein:6630334|CAS:7059-24-7|KEGG:C13569|KEGG:D02062|KNApSAcK:C00018673 phenio.json (1S)-1-C-[(2S,3S)-7-{[4-O-acetyl-2,6-dideoxy-3-O-(2,6-dideoxy-4-O-methyl-alpha-D-lyxo-hexopyranosyl)-beta-D-lyxo-hexopyranosyl]oxy}-3-{[4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-5-deoxy-1-O-methyl-D-xylulose|3(B)-O-(4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-arabinohexopyranosyl)-7-methylolivomycin D|Aburamycin B|Chromomycin A3|Toyomycin http://purl.obolibrary.org/obo/CHEBI_34638 3_STAR
CHEBI:34648 biolink:ChemicalSubstance clofibric acid A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate. CAS:882-09-7|Drug_Central:695|KEGG:C13700|KEGG:D07723|LINCS:LSM-2427|PMID:16442995|PMID:17431116|PMID:23062606|PMID:23135717|PMID:23352585|PMID:7320112|PMID:8944746|PPDB:2940|Pesticides:clofibric%20acid|Reaxys:1874067|Wikipedia:Clofibric_acid phenio.json 2-(4-Chlorophenoxy)-2-methylpropionic acid|2-(4-chlorophenoxy)-2-methylpropanoic acid|2-(p-Chlorophenoxy)-2-methylpropionic acid|2-(p-Chlorophenoxy)isobutyric acid|4-CPIB|Acide (p-chlorophenoxy)-2 methyl-2 propionique|CPIB|Chlorfibrinic acid|Chlorofibrinic acid|Chlorophibrinic acid|Clofibrate free acid|Clofibric acid|Clofibrinsaeure|PCIB|PCPIB|acide clofibrique|acido clofibrico|acidum clofibricum|alpha-(4-chlorophenoxy)-alpha-methylpropionic acid|alpha-(p-chlorophenoxy)isobutyric acid|clofibric acid http://purl.obolibrary.org/obo/CHEBI_34648 3_STAR
CHEBI:34649 biolink:ChemicalSubstance Clofilium CAS:68379-02-2|KEGG:C13772|LINCS:LSM-5214 phenio.json Clofilium http://purl.obolibrary.org/obo/CHEBI_34649 2_STAR
CHEBI:34653 biolink:ChemicalSubstance Congo Red An indicator dye that is blue-violet at pH 3.0 and red at pH 5.0. Beilstein:3894858|Beilstein:741468|CAS:573-58-0|Gmelin:135213|KEGG:C14078 phenio.json Congo red|Direct red 28|Kongorot|Sodium diphenyldiazo-bis-alpha-naphthylaminesulfonate|disodium 3,3'-((1,1'-biphenyl)-4,4'-diylbis(azo))bis(4-aminonaphthalene-1-sulphonate)|disodium 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) http://purl.obolibrary.org/obo/CHEBI_34653 3_STAR
CHEBI:34656 biolink:ChemicalSubstance cumene An alkylbenzene that is benzene carrying an isopropyl group. CAS:98-82-8|HMDB:HMDB0034029|KEGG:C14396|MetaCyc:CPD0-2360|PMID:19340095|PMID:24441387|Patent:KR20140001929|Reaxys:1236613|Wikipedia:Cumene phenio.json (1-Methylethyl)benzene|(propan-2-yl)benzene|2-Phenylpropane|Cumene|Isopropylbenzene http://purl.obolibrary.org/obo/CHEBI_34656 3_STAR
CHEBI:34660 biolink:ChemicalSubstance cyclopropylamine A primary aliphatic amine that consists of cyclopropane bearing a single amino substituent. CAS:765-30-0|KEGG:C14150|Reaxys:741858 phenio.json Aminocyclopropane|cyclopropanamine http://purl.obolibrary.org/obo/CHEBI_34660 3_STAR
CHEBI:34665 biolink:ChemicalSubstance debrisoquin Beilstein:1427619|CAS:1131-64-2|DrugBank:DB04840|Drug_Central:788|KEGG:C13650|Patent:BE629007|Patent:US3157573|Wikipedia:Debrisoquine phenio.json 3,4-dihydroisoquinoline-2(1H)-carboximidamide|Debrisochinum|Debrisoquin|Debrisoquine|Isocaramidine|debrisoquina|debrisoquine|debrisoquinum http://purl.obolibrary.org/obo/CHEBI_34665 3_STAR
CHEBI:34674 biolink:ChemicalSubstance dextran sulfate A polymer composed of repeating (1->6)-alpha-linked anhydroglucose sulfate units. AGR:IND607703858|Beilstein:8187464|CAS:9042-14-2|KEGG:C13723|PMID:12885383|PMID:13225707|PMID:16002055|PMID:18606639|PMID:18722664|PMID:2478075|PMID:33476681|PMID:34683921|PMID:35119317|PMID:8018106|PMID:8713797 phenio.json Dextran polysulfate|Dextran sulfate|Dextran sulfate 500|Dextran sulfuric acid|Dextran sulfuric acid ester|Dextran sulphate|Polydextran sulfate http://purl.obolibrary.org/obo/CHEBI_34674 3_STAR
CHEBI:34682 biolink:ChemicalSubstance diazinon A member of the class of pyrimidines that is pyrimidine carrying an isopropyl group at position 2, a methyl group at position 6 and a (diethoxyphosphorothioyl)oxy group at position 4. CAS:333-41-5|HMDB:HMDB0032943|KEGG:C14324|KEGG:D07856|MetaCyc:CPD-8965|PMID:14536034|PMID:18819606|PPDB:212|Pesticides:diazinon|Reaxys:273790|VSDB:212|Wikipedia:Diazinon phenio.json Diazinon|Dimpylate|O,O-Diethyl 2-isopropyl-4-methylpyrimidyl-6-thiophosphate|O,O-Diethyl O-(2-isopropyl-4-methyl-6-pyrimidyl) thionophosphate|O,O-Diethyl O-(2-isopropyl-6-methyl-4-pyrimidinyl) phosphorothioate|O,O-diethyl O-[6-methyl-2-(1-methylethyl)pyrimidin-4-yl] thiophosphate|O,O-diethyl O-[6-methyl-2-(propan-2-yl)pyrimidin-4-yl] phosphorothioate|Phosphorothioic acid, O,O-diethyl O-(6-methyl-2-(1-methylethyl)-4-pyrimidinyl) ester http://purl.obolibrary.org/obo/CHEBI_34682 3_STAR
CHEBI:34687 biolink:ChemicalSubstance dibutyl phthalate A phthalate ester that is the diester obtained by the formal condensation of the carboxy groups of phthalic acid with two molecules of butan-1-ol. Although used extensively as a plasticiser, it is a ubiquitous environmental contaminant that poses a risk to humans. CAS:84-74-2|Drug_Central:4414|Gmelin:262569|HMDB:HMDB0033244|KEGG:C14214|PMID:11133400|PMID:16232742|PMID:19840837|PMID:24213843|PMID:24468924|PMID:24616073|PMID:26730679|PMID:27655612|PMID:28102498|PMID:28363850|PMID:28486587|PMID:28566680|PMID:28580302|PMID:28753974|PMID:28822891|PMID:28823096|PPDB:2924|Reaxys:1914064|Wikipedia:Dibutyl_phthalate phenio.json 1,2-Benzenedicarboxylic acid dibutyl ester|Benzene-o-dicarboxylic acid di-n-butyl ester|Benzenedicarboxylic acid dibutyl ester|Butyl phthalate|DBP|Di-n-butyl phthalate|Dibutyl 1,2-benzenedicarboxylate|Dibutyl o-phthalate|Dibutyl phthalate|Dibutyl-o-phthalate|Phthalic acid di-n-butyl ester|Phthalic acid dibutyl ester|dibutyl benzene-1,2-dicarboxylate|n-Butyl phthalate|o-Benzenedicarboxylic acid dibutyl ester http://purl.obolibrary.org/obo/CHEBI_34687 3_STAR
CHEBI:34689 biolink:ChemicalSubstance Dichlorophen CAS:97-23-4|Drug_Central:863|KEGG:C14292|LINCS:LSM-25663|PPDB:217|VSDB:217 phenio.json 2,2'-Methylenebis(4-chlorophenol)|Dichlorophen|dichlorofen|dichlorophene|dichlorphen|diclorofen|didroxan|didroxane http://purl.obolibrary.org/obo/CHEBI_34689 2_STAR
CHEBI:34690 biolink:ChemicalSubstance dichlorvos An alkenyl phosphate that is the 2,2-dichloroethenyl ester of dimethyl phosphate. CAS:62-73-7|HMDB:HMDB0033956|KEGG:C14430|KEGG:D03791|MetaCyc:CPD-10185|PMID:24021659|PMID:24231740|PMID:24374570|PPDB:220|Reaxys:1709141|Wikipedia:Dichlorvos phenio.json 2,2-Dichloroethenyl dimethyl phosphate|2,2-dichloroethenyl dimethyl phosphate|DDVP|Dichlorvos|Dimethyl 2,2-dichlorovinyl phosphate|Dimethyl-2,2-dichlorovinyl phosphate|Phosphoric acid, 2,2-dichloroethenyl dimethyl ester|Phosphoric acid, 2,2-dichlorovinyl dimethyl ester http://purl.obolibrary.org/obo/CHEBI_34690 3_STAR
CHEBI:34696 biolink:ChemicalSubstance dieldrin An organochlorine compound resulting from the epoxidation of the double bond of aldrin. It is the active metabolite of the proinsecticde aldrin. CAS:60-57-1|KEGG:C13718|PMID:17848404|PMID:17999924|PMID:18497062|PMID:20602524|PMID:21724225|PMID:22281775|PMID:23001942|PMID:23726008|PMID:23763672|PMID:8597127|PPDB:226|Pesticides:dieldrin|Reaxys:91396|Wikipedia:Dieldrin phenio.json (1R,4S,4aS,5R,6R,7S,8S,8aR)-1,2,3,4,10,10-Hexachloro-1,4,4a,5,6,7,8,8a-octahydro-6,7-epoxy-1,4:5,8-dimethanonaphthalene|(1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene|1,2,3,4,10,10-Hexachloro-6,7-epoxy-1,4,4a,5,6,7,8,8a-octahydro-1,4-endo-exo-5,8-dimethanonaphthalene|2,7:3,6-Dimethanonaphth[2,3-b]oxirene, 3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-, (1aalpha,2beta,2aalpha,3beta,6beta,6aalpha,7beta,7aalpha)-|Dieldrin|HEOD|rel-(1R,2S,3S,6R,7R,8S,9S,11R)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.1(3,6).0(2,7).0(9,11)]tridec-4-ene http://purl.obolibrary.org/obo/CHEBI_34696 3_STAR
CHEBI:34705 biolink:ChemicalSubstance dihydro-beta-erythroidine An organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of beta-erythroidine to give the corresponding 2-ene. CAS:23255-54-1|KEGG:C13682|PMID:10805608|PMID:11796148|PMID:13936717|PMID:14399523|PMID:15405879|PMID:19778551|PMID:20238501|PMID:21795674|PMID:6502210|PMID:6774377|PMID:8863500|PMID:9085409|PMID:9678643|Reaxys:36193 phenio.json (4bS,6S)-6-methoxy-1,4,6,7,9,10,12,13-octahydro-3H,5H-pyrano[4',3':3,4]pyrido[2,1-i]indol-3-one|3beta-methoxy-14,17-dihydro-16-oxa-erythrin-1(6)-en-15-one|DHbetaE http://purl.obolibrary.org/obo/CHEBI_34705 3_STAR
CHEBI:34718 biolink:ChemicalSubstance 1-chloro-2,4-dinitrobenzene A C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions. CAS:97-00-7|Gmelin:28481|KEGG:C14397|PMID:1155304|PMID:12176098|PMID:1447476|PMID:15009707|PMID:15588915|PMID:1640019|PMID:18316151|PMID:18775882|PMID:19171927|PMID:1982449|PMID:25515858|PMID:29079364|PMID:3180787|PMID:6446435|PMID:7059096|PMID:7179722|PMID:7994925|Reaxys:613161|Wikipedia:2,4-Dinitrochlorobenzene phenio.json 1,3-Dinitro-4-chlorobenzene|1-Chloro-2,4-dinitrobenzene|1-Chloro-2,4-dinitrobenzol|1-chloro-2,4-dinitrobenzene|2,4-Dinitro-1-chlorobenzene|2,4-Dinitrochlorobenzene|2,4-Dinitrophenyl chloride|4-Chloro-1,3-dinitrobenzene|6-Chloro-1,3-dinitrobenzene|Cdnb|Chlorodinitrobenzene|ClDNB|DNCB|DNPCl|Dinitrochlorobenzene|Dncb http://purl.obolibrary.org/obo/CHEBI_34718 3_STAR
CHEBI:34725 biolink:ChemicalSubstance dizocilpine An organic heterotetracyclic compound that is 1-methyl-8-azabicyclo[3.2.1]octane ortho-fused to two benzene rings at positions 2-3 and 6-7 (the 5S,10R-stereoisomer). It is a non-competitive antagonist of the N-methyl-D-aspartate (NMDA) receptor and affects cognitive function, learning, and memory. CAS:77086-21-6|Chemspider:156718|KEGG:C13737|LINCS:LSM-5688|PDBeChem:BMK|PMID:28232581|PMID:29489358|PMID:29670280|PMID:30772438|PMID:31177060|PMID:32105720|PMID:32219769|PMID:32289529|PMID:32324160|PMID:32641944|PMID:32760846|PMID:32808583|PMID:32892308|PMID:32956214|PMID:32973585|PMID:33187817|PMID:33249825|PMID:33324181|PMID:33404734|PMID:33442771|PMID:33639267|PMID:33656787|PMID:33723767|PMID:33809889|PMID:33882624|PMID:33891976|PMID:33945878|PMID:33974921|PMID:34054433|PMID:34098454|PMID:34119597|PMID:34177484|Wikipedia:Dizocilpine phenio.json (+)-MK-801|(+)-dizocilpine|(5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene|MK 801|MK-801|MK801|dizocilpina|dizocilpine|dizocilpinum http://purl.obolibrary.org/obo/CHEBI_34725 3_STAR
CHEBI:34732 biolink:ChemicalSubstance E-4031 CAS:113558-89-7|KEGG:C13776|LINCS:LSM-2928 phenio.json E-4031 http://purl.obolibrary.org/obo/CHEBI_34732 2_STAR
CHEBI:34734 biolink:ChemicalSubstance Eburicoic acid CAS:560-66-7|KEGG:C14495|KNApSAcK:C00023799 phenio.json Eburicoic acid http://purl.obolibrary.org/obo/CHEBI_34734 2_STAR
CHEBI:34736 biolink:ChemicalSubstance Emopamil CAS:78370-13-5|HMDB:HMDB0012224|KEGG:C13766 phenio.json Emopamil http://purl.obolibrary.org/obo/CHEBI_34736 2_STAR
CHEBI:34738 biolink:ChemicalSubstance Epimestrol CAS:7004-98-0|Drug_Central:1026|KEGG:C14593|KEGG:D04021 phenio.json 3-Methoxy-17-epiestriol|3-Methoxyestra-1,3,5(10)-triene-16alpha,17alpha-diol|Epimestrol|stimovul http://purl.obolibrary.org/obo/CHEBI_34738 2_STAR
CHEBI:347401 biolink:ChemicalSubstance pentolinium ion A dication whose structure comprises a pentane backbone linking two 1-methylpyrrolidinium groups; a nicotinic antagonist used as a ganglionic blocking agent in hypertension. Beilstein:3905671|CAS:144-44-5|DrugBank:DB01090|Drug_Central:2096|LINCS:LSM-5561|Wikipedia:Pentolinium phenio.json 1,1'-pentane-1,5-diylbis(1-methylpyrrolidinium)|Pentolonium|Pentolonum|pentolineum http://purl.obolibrary.org/obo/CHEBI_347401 3_STAR
CHEBI:34741 biolink:ChemicalSubstance equol CAS:531-95-3|HMDB:HMDB0002209|KEGG:C14131|KNApSAcK:C00009707|LIPID_MAPS_instance:LMPK12080003|PMID:11410004|PMID:17449595|PMID:17579894|PMID:17579895|Wikipedia:Equol phenio.json (-)-(S)-Equol|(-)-Equol|(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol|(S)-(-)-4',7-Isoflavandiol|(S)-3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-Benzopyran-7-ol|(S)-Equol|4',7-Dihydroxyisoflavan|4',7-Isoflavandiol|Equol http://purl.obolibrary.org/obo/CHEBI_34741 2_STAR
CHEBI:34742 biolink:ChemicalSubstance Erythromycin stearate CAS:643-22-1|KEGG:D02184 phenio.json Erythromycin stearate http://purl.obolibrary.org/obo/CHEBI_34742 2_STAR
CHEBI:34750 biolink:ChemicalSubstance Ethylenethiourea CAS:96-45-7|KEGG:C14398 phenio.json 2-Mercaptoimidazoline|Ethylenethiourea http://purl.obolibrary.org/obo/CHEBI_34750 2_STAR
CHEBI:34751 biolink:ChemicalSubstance F4-Neuroprostane (4-series) KEGG:C13818 phenio.json F4-Neuroprostane (4-series) http://purl.obolibrary.org/obo/CHEBI_34751 2_STAR
CHEBI:34761 biolink:ChemicalSubstance fenthion An organic thiophosphate that is O,O-dimethyl hydrogen phosphorothioate in which the hydrogen atom of the hydroxy group is replaced by a 3-methyl-4-(methylsulfanyl)phenyl group. It exhibits acaricidal and insecticidal activities. CAS:55-38-9|HMDB:HMDB0033209|KEGG:C14420|KEGG:D07950|LINCS:LSM-25615|PMID:11048676|PMID:18558709|PPDB:310|Reaxys:1974129|VSDB:310|Wikipedia:Fenthion phenio.json 4-Methylmercapto-3-methylphenyl dimethyl thiophosphate|Fenthion|MPP|Mercaptophos|O,O-Dimethyl O-4-(methylmercapto)-3-methylphenyl phosphorothioate|O,O-Dimethyl O-4-methylthio-m-tolyl phosphorothioate|O,O-Dimethyl-O-4-(methylmercapto)-3-methylphenyl thiophosphate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] phosphorothioate|O,O-dimethyl O-[3-methyl-4-(methylsulfanyl)phenyl] thiophosphate|Phosphorothioic acid, O,O-dimethyl O-(3-methyl-4-(methylthio)phenyl) ester http://purl.obolibrary.org/obo/CHEBI_34761 3_STAR
CHEBI:34762 biolink:ChemicalSubstance Ferric gluconate CAS:38658-53-6|KEGG:C13511 phenio.json Ferlixit|Ferric gluconate|Ferrulecit http://purl.obolibrary.org/obo/CHEBI_34762 2_STAR
CHEBI:34768 biolink:ChemicalSubstance furfural An aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. CAS:98-01-1|KEGG:C14279|KNApSAcK:C00030331|MetaCyc:CPD0-2357|PDBeChem:FU2|PMID:17439666|PMID:21925629|PMID:22081946|PMID:22133603|PMID:22213717|PMID:22277539|PMID:22315196|PMID:22504824|PMID:22512171|PMID:22592554|PMID:22639140|PMID:22648683|PMID:22703600|PPDB:368|Reaxys:105755|Wikipedia:Furfural|YMDB:YMDB01459 phenio.json 2-Formylfuran|2-Furaldehyde|2-Furanaldehyde|2-Furancarbonal|2-Furancarboxaldehyde|2-Furyl-methanal|2-Furylcarboxaldehyde|Furaldehyde|furan-2-carbaldehyde|furfural http://purl.obolibrary.org/obo/CHEBI_34768 3_STAR
CHEBI:34772 biolink:ChemicalSubstance Gallopamil CAS:16662-47-8|Drug_Central:1275|KEGG:C13764|KEGG:D08009|LINCS:LSM-21596 phenio.json Gallopamil|gallopamil HCl|gallopamil hydrochloride|methoxyverapamil http://purl.obolibrary.org/obo/CHEBI_34772 2_STAR
CHEBI:34778 biolink:ChemicalSubstance glycitein A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 7 and 4'. It has been isolated from the mycelia of the fungus Cordyceps sinensis. CAS:40957-83-3|HMDB:HMDB0005781|KEGG:C14536|KNApSAcK:C00009392|LIPID_MAPS_instance:LMPK12050104|MetaCyc:CPD-7027|PMID:21848266|PMID:24499298|PMID:24950423|Reaxys:1351032|Wikipedia:Glycitein phenio.json 7,4'-Dihydroxy-6-methoxyisoflavone|7-Hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one|7-hydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4H-one http://purl.obolibrary.org/obo/CHEBI_34778 3_STAR
CHEBI:34779 biolink:ChemicalSubstance glyoxal The dialdehyde that is the smallest possible and which consists of ethane having oxo groups on both carbons. CAS:107-22-2|FooDB:FDB007802|KEGG:C14448|MetaCyc:CPD-8887|PDBeChem:GXT|PMID:11833298|PMID:15899002|PMID:18343213|PMID:18533367|PMID:23180757|PMID:23531876|PMID:23543734|PMID:23990306|PMID:9506998|PPDB:272|Reaxys:1732463|Wikipedia:Glyoxal phenio.json 1,2-Ethanedione|Biformal|Biformyl|Diformal|Diformyl|Ethanedial|Oxalaldehyde|ethane-1,2-dial|ethanedial|glyoxal|glyoxal aldehyde|glyoxylaldehyde|oxal http://purl.obolibrary.org/obo/CHEBI_34779 3_STAR
CHEBI:3478 biolink:ChemicalSubstance cefaclor A cephalosporin bearing chloro and (R)-2-amino-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton. CAS:53994-73-3|DrugBank:DB00833|Drug_Central:525|HMDB:HMDB0014971|KEGG:C06877|KEGG:D00256|LINCS:LSM-5368|PMID:10230635|PMID:10930630|PMID:11963587|PMID:12485718|PMID:12569987|PMID:15812119|PMID:18969055|PMID:29017833|Patent:DE2408698|Patent:US3925372|Reaxys:3632473|Wikipedia:Cefaclor phenio.json (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|3-Chloro-7-D-(2-phenylglycinamido)-3-cephem-4-carboxylic acid|7beta-{[(2R)-2-amino-2-phenylacetyl]amino}-3-chloro-3,4-didehydrocepham-4-carboxylic acid|CCL|Cefaclor|Cefaclor anhydrous|Cephaclor|cefaclor|cefaclorum http://purl.obolibrary.org/obo/CHEBI_3478 3_STAR
CHEBI:34784 biolink:ChemicalSubstance hepoxilin B3 A hepoxilin having (5Z,9E,14Z) double bond stereochemistry, a 10-hydroxy substituent and an (11S,12S)-epoxy group. CAS:71799-95-6|KEGG:C14810|LIPID_MAPS_instance:LMFA03090003|PMID:10692117|PMID:11851887|PMID:2180942 phenio.json (5Z,8Z)-10-hydroxy-10-{(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid|10-hydroxy-11S,12S-epoxy-5Z,8Z,14Z-eicosatrienoic acid|HXB3|Hepoxilin B3|HxB3 http://purl.obolibrary.org/obo/CHEBI_34784 3_STAR
CHEBI:34795 biolink:ChemicalSubstance 3-isobutyl-1-methyl-7H-xanthine Beilstein:247859|CAS:28822-58-4|KEGG:C13708|LINCS:LSM-24983|PDBeChem:IBM phenio.json 1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione|1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione|1-methyl-3-isobutylxanthine|3-Isobutyl-1-methyxanthine|3-isobutyl-1-methyl-3,7-dihydro-1H-purine-2,6-dione|3-isobutyl-1-methylxanthine|IBMX http://purl.obolibrary.org/obo/CHEBI_34795 3_STAR
CHEBI:34799 biolink:ChemicalSubstance Isoguvacine CAS:64603-90-3|KEGG:C13694 phenio.json Isoguvacine http://purl.obolibrary.org/obo/CHEBI_34799 2_STAR
CHEBI:3480 biolink:ChemicalSubstance cefamandole A cephalosporin compound having (R)-mandelamido and N-methylthiotetrazole side-groups. Beilstein:5406309|CAS:34444-01-4|DrugBank:DB01326|Drug_Central:527|KEGG:C06879|KEGG:D02344|PMID:12569987|PMID:12833570|PMID:15828189|PMID:29017833|Patent:DE2018600|Patent:DE2312997|Patent:US3641021|Patent:US3840531|Wikipedia:Cefamandole phenio.json (6R,7R)-7-(R)-Mandelamido-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-carboxylic acid|(6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7beta-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid|Cefadole|Cephadole|Cephamandole|L-Cefamandole|cefamandol|cefamandole|cefamandolum http://purl.obolibrary.org/obo/CHEBI_3480 3_STAR
CHEBI:3481 biolink:ChemicalSubstance cefamandole nafate A cephalosporin prodrug having (R)-O-formylmandelamido and N-methylthiotetrazole side-groups. Beilstein:5403938|CAS:42540-40-9|DrugBank:DB01326|KEGG:C08102|KEGG:D00909|PMID:10412|PMID:17548491|PMID:41479|PMID:533268|PMID:7000857|PMID:921240|Patent:CN101822678|Patent:CN101829118|Patent:CN101836960 phenio.json Cefamandol nafato|Cephamandole nafate|O-Formylcefamandole sodium|Sodium O-formylcefamandole|sodium (6R,7R)-7-{[(2R)-2-(formyloxy)-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|sodium 7beta-[(2R)-2-(formyloxy)-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate http://purl.obolibrary.org/obo/CHEBI_3481 3_STAR
CHEBI:34823 biolink:ChemicalSubstance Linopirdine CAS:105431-72-9|Drug_Central:4588|KEGG:C13780|KEGG:D04741|LINCS:LSM-3317 phenio.json Linopirdine http://purl.obolibrary.org/obo/CHEBI_34823 2_STAR
CHEBI:34831 biolink:ChemicalSubstance Melengestrol acetate CAS:2919-66-6|KEGG:C14642|KEGG:D04900 phenio.json 17-Hydroxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione acetate|17alpha-Acetoxy-6-methyl-16-methylenepregna-4,6-diene-3,20-dione|Melengestrol acetate http://purl.obolibrary.org/obo/CHEBI_34831 2_STAR
CHEBI:34837 biolink:ChemicalSubstance methidathion Beilstein:619915|CAS:950-37-8|KEGG:C14431|PPDB:456 phenio.json Methidathion|S-(2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-methyl) dimethyl phosphorothiolothionate|S-[(5-methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl] O,O-dimethyl dithiophosphate|S-[(5-methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl] O,O-dimethyl phosphorodithioate|Supracide|phosphorodithioic acid, S-[(5-methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl] O,O-dimethyl ester http://purl.obolibrary.org/obo/CHEBI_34837 3_STAR
CHEBI:34848 biolink:ChemicalSubstance mevastatin A carboxylic ester that is pravastatin that is lacking the allylic hydroxy group. A hydroxymethylglutaryl-CoA reductase inhibitor (statin) isolated from Penicillium citrinum and from Penicillium brevicompactum, its clinical use as a lipid-regulating drug ceased following reports of toxicity in animals. CAS:73573-88-3|DrugBank:DB06693|KEGG:C13963|KNApSAcK:C00000564|LINCS:LSM-4123|PMID:11283400|PMID:12403272|PMID:15274361|PMID:15531285|PMID:15786722|PMID:18672387|PMID:18936176|PMID:20629200|PMID:23918904|PMID:24462564|PMID:3170348|PMID:3719857|Patent:DE2524355|Patent:US3983140|Reaxys:3630717|Wikipedia:Mevastatin phenio.json (1S,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate|CS 500|Compactin|ML 236 B|ML-236B|Mevastatin|antibiotic ML 236B|mevastatin|mevastatina|mevastatine|mevastatinum http://purl.obolibrary.org/obo/CHEBI_34848 3_STAR
CHEBI:3485 biolink:ChemicalSubstance cefdinir A cephalosporin compound having 7beta-2-(2-amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino- and 3-vinyl side groups. Beilstein:6829362|CAS:91832-40-5|DrugBank:DB00535|Drug_Central:533|KEGG:C08110|KEGG:D00917|Patent:BE897864|Patent:US4559334|Wikipedia:Cefdinir phenio.json (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino}-8-oxo-3-vinyl-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetyl]amino}-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R,Z)-7-(2-(2-aminothiazol-4-yl)-2-(hydroxyimino)acetamido)-8-oxo-3-vinyl-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(hydroxyimino)acetamido]-3-ethenyl-3,4-didehydrocepham-4-carboxylic acid|CFDN|cefdinir|cefdinirum http://purl.obolibrary.org/obo/CHEBI_3485 3_STAR
CHEBI:34856 biolink:ChemicalSubstance morpholine An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family. Beilstein:102549|CAS:110-91-8|Chemspider:13837537|DrugBank:DB13669|FooDB:FDB008207|Gmelin:1803|HMDB:HMDB0031581|KEGG:C14452|PDBeChem:6LR|PMID:15017096|PMID:2699898|PMID:31512284|PMID:31978684|PMID:32017384|PMID:33459557|Wikipedia:Morpholine phenio.json 1,4-oxazinane|1-oxa-4-azacyclohexane|Morpholine|diethylene imidoxide|diethylene oximide|diethylenimide oxide|morpholine|tetrahydro-1,4-oxazine|tetrahydro-p-oxazine http://purl.obolibrary.org/obo/CHEBI_34856 3_STAR
CHEBI:34860 biolink:ChemicalSubstance N,N'-diphenyl-1,4-phenylenediamine An N-substituted diamine that is 1,4-phenylenediamine in which one hydrogen from each amino group is replaced by a phenyl group. CAS:74-31-7|KEGG:C14501|PMID:21310208|PMID:23454298|PMID:2916243|PMID:3353350|PMID:4009420|PMID:4847794|Patent:US2053712|Patent:US2833824|Reaxys:2215944 phenio.json 1,4-bis(phenylamino)benzene|1,4-dianilinobenzene|4,4'-diphenyl-p-phenylenediamine|4-phenylaminodiphenylamine|DPPD|N,N'-diphenyl-1,4-benzenediamine|N,N'-diphenyl-1,4-diaminobenzene|N,N'-diphenyl-p-phenylenediamine|N,N'-diphenylbenzene-1,4-diamine|diphenyl-p-phenylenediamine|p-bis(phenylamino)benzene|p-phenylaminodiphenylamine http://purl.obolibrary.org/obo/CHEBI_34860 3_STAR
CHEBI:34862 biolink:ChemicalSubstance N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine An N-acylsphingosine in which the ceramide N-acyl group is specified as 30-[(9Z,12Z)-octadeca-9,12-dienoyloxy]triacontanoyl. CAS:156170-27-3|KEGG:C13918|LIPID_MAPS_instance:LMSP02040001|MetaCyc:CPD-22000|PMID:18427800|PMID:20121267|PMID:28610718 phenio.json 30-{[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]amino}-30-oxotriacontyl (9Z,12Z)-octadeca-9,12-dienoate|N-(30-(9Z,12Z-octadecadienoyloxy)-tricontanoyl)-sphing-4-enine|N-[30-(9Z,12Z-octadecadienoyloxy)-triacontanoyl]-sphing-4-enine|N-[30-(9Z,12Z-octadecadienoyloxy)triacontanoyl]-4-sphingenine|ceramide eos http://purl.obolibrary.org/obo/CHEBI_34862 3_STAR
CHEBI:34873 biolink:ChemicalSubstance N-nitrosodiethylamine A nitrosamine that is N-ethylethanamine substituted by a nitroso group at the N-atom. CAS:55-18-5|KEGG:C14422|PMID:24696076|PMID:24755254|Reaxys:1744991 phenio.json 1,1-diethyl-2-oxohydrazine|DANA|DEN|Diethylnitrosamine|N,N-diethylnitrosamine|N,N-diethylnitrosoamine|N-Nitrosodiethylamine|N-ethyl-N-nitrosoethanamine|NDEA|diethylnitrosoamine http://purl.obolibrary.org/obo/CHEBI_34873 3_STAR
CHEBI:34887 biolink:ChemicalSubstance nickel dichloride A compound of nickel and chloride in which the ratio of nickel (in the +2 oxidation state) to chloride is 1:2. CAS:7718-54-9|KEGG:C14711|PMID:11739495|PMID:12603851|PMID:21928331|PMID:23179351|PMID:23622879|PMID:23702803|PMID:23735035|PMID:7671317|Reaxys:3902827|Reaxys:8128171|Wikipedia:Nickel_dichloride phenio.json NiCl2|Nickel chloride|Nickel(II) chloride|[NiCl2]|nickel dichloride|nickel(2+) chloride|nickel(II) chloride|nickelous chloride http://purl.obolibrary.org/obo/CHEBI_34887 3_STAR
CHEBI:34888 biolink:ChemicalSubstance Niflumic acid CAS:4394-00-7|Drug_Central:1925|HMDB:HMDB0015573|KEGG:C13698|KEGG:D08275|LINCS:LSM-6016|PDBeChem:NFL phenio.json NFA|Niflumic acid|niflamol|nifluminic acid http://purl.obolibrary.org/obo/CHEBI_34888 2_STAR
CHEBI:3489 biolink:ChemicalSubstance cefmetazole A second-generation cephalosporin antibiotic having N(1)-methyltetrazol-5-ylthiomethyl, {[(cyanomethyl)sulfanyl]acetyl}amino and methoxy side-groups at positions 3, 7beta and 7alpha respectively of the parent cephem bicyclic structure. Beilstein:5406306|CAS:56796-20-4|DrugBank:DB00274|Drug_Central:539|KEGG:C08103|KEGG:D00910|LINCS:LSM-5594|PMID:10109799|PMID:23140947|PMID:23705013|PMID:2416589|PMID:29017833|PMID:8452349|Wikipedia:Cefmetazole phenio.json (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7beta-{[(cyanomethyl)sulfanyl]acetamido}-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylic acid|cefmetazole|cefmetazolo|cefmetazolum http://purl.obolibrary.org/obo/CHEBI_3489 3_STAR
CHEBI:34892 biolink:ChemicalSubstance nocodazole A member of the class of benzimidazoles that is benzimidalole which is substituted at position 2 by a (methoxycarbonyl)amino group and at position 5 by a 2-thienoyl group. It is an antineoplastic agent that exerts its effect by depolymerising microtubules. CAS:31430-18-9|DrugBank:DB08313|KEGG:C13719|KEGG:D05197|LINCS:LSM-2260|PDBeChem:NZO|PMID:11679255|PMID:20399776|PMID:22002881|PMID:23869451|PMID:518692|PMID:6384770|PMID:7199049|PMID:7284368|PMID:7344613|Reaxys:1085978|Wikipedia:Nocodazole phenio.json (5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl)-carbamic acid methyl ester|N-(5-(2-thenoyl)-2-benzimidazolyl)carbamic acid methyl ester|N-(5-(2-thienoyl)-2-benzimidazolyl)carbamic acid methyl ester|R 17934|R-17934|R17,934|methyl (5-(2-thienylcarbonyl))-1H-benzimidazole-2-ylcarbamate|methyl N-(5-thenoyl-2-benzimidazolyl)carbamate|methyl [5-(2-thienylcarbonyl)-1H-benzimidazol-2-yl]carbamate|nocodazol|nocodazole|nocodazolum|oncodazole http://purl.obolibrary.org/obo/CHEBI_34892 3_STAR
CHEBI:34905 biolink:ChemicalSubstance paraquat An organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions. CAS:4685-14-7|Chemspider:15147|FooDB:FDB011120|Gmelin:51125|KEGG:C14701|PMID:11349957|PMID:18620719|PMID:20377249|PMID:20582739|PMID:21151885|PMID:21236547|PMID:21300143|PMID:21318114|PMID:21429624|PMID:21493003|PMID:21598522|PMID:21616728|PMID:21619794|PMID:21619822|PMID:21750730|PMID:21777615|PMID:21787677|PMID:21802509|PPDB:505|Pesticides:paraquat|Reaxys:3590305 phenio.json 1,1'-Dimethyl-4,4'-bipyridinium|1,1'-dimethyl-4,4'-bipyridyldiylium|1,1'-dimethyl-[4,4'-bipyridin]-1,1'-diium|N,N'-dimethyl-4,4'-bipyridinium|N,N'-dimethyl-4,4'-bipyridinium dication|Paraquat|dimethyl viologen|methyl viologen ion(2+)|paraquat dication|paraquat ion http://purl.obolibrary.org/obo/CHEBI_34905 3_STAR
CHEBI:34907 biolink:ChemicalSubstance paxilline An indole diterpene alkaloid with formula C27H33NO4 isolated from Penicillium paxilli. It is a potent inhibitor of large conductance Ca2(+)- and voltage-activated K(+) (BK)-type channels. CAS:57186-25-1|FooDB:FDB002165|HMDB:HMDB0030323|KEGG:C13782|KNApSAcK:C00023582|MetaCyc:CPD-16744|PMID:15281747|PMID:17428785|PMID:19054419|PMID:20421373|PMID:21150246|PMID:22240184|PMID:23311903|PMID:23525886|PMID:23949005|PMID:24711838|PMID:24894186|PMID:25036831|PMID:25348413|PMID:26426046|PMID:26593869|PMID:28674820|PMID:29237259|PMID:30518785|PMID:31009898|PMID:31879339|PMID:32030976|PMID:32244116|PMID:33071366|PMID:33329012|PMID:34931646|PMID:35504559|PMID:3912307|Reaxys:5317894|Wikipedia:Paxilline phenio.json (+)-paxilline|(2R,4bS,6aS,12bS,12cR,14aS)-4b-hydroxy-2-(2-hydroxypropan-2-yl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-[1]benzopyrano[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one|(2R,4bS,6aS,12bS,12cR,14aS)-4b-hydroxy-2-(2-hydroxypropan-2-yl)-12b,12c-dimethyl-5,6,6a,7,12,12b,12c,13,14,14a-decahydro-2H-chromeno[5',6':6,7]indeno[1,2-b]indol-3(4bH)-one|paxiline|paxillin|paxilline http://purl.obolibrary.org/obo/CHEBI_34907 3_STAR
CHEBI:34910 biolink:ChemicalSubstance pentetrazol An organic heterobicyclic compound that is 1H-tetrazole in which the hydrogens at positions 1 and 5 are replaced by a pentane-1,5-diyl group. A central and respiratory stimulant, it was formerly used for the treatment of cough and other respiratory tract disorders, cardiovascular disorders including hypotension, and pruritis. CAS:54-95-5|Drug_Central:3428|KEGG:C13692|KEGG:D07409|LINCS:LSM-3287|PMID:19797046|PMID:21689733|PMID:22049436|PMID:23852314|PMID:23893477|PMID:24397543|Patent:US1564631|Patent:US1599493|Reaxys:135492|Wikipedia:Pentylenetetrazol phenio.json 1,5-pentamethylenetetrazole|6,7,8,9-tetrahydro-5-azepotetrazole|6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine|7,8,9,10-tetrazabicyclo[5.3.0]-8,10-decadiene|Cardiazol|Cardiazole|Cardifortan|Cardiotonicum|Cardosal|Cardosan|Cenalene-M|Cenazol|Coranormol|Coratoline|Corazol|Corazole|Corvasol|Coryvet|Deumacard|Diovascole|Gewazol|Kardiazol|Korazol|Metrazol|Pentetrazol|Pentylenetetrazole|Phrenazol|Ventrazol|alpha,beta-cyclopentamethylenetetrazole|pentamethylene-1,5-tetrazole|pentetrazol|pentetrazolum|pentylenetetrazol http://purl.obolibrary.org/obo/CHEBI_34910 3_STAR
CHEBI:34911 biolink:ChemicalSubstance permethrin A cyclopropanecarboxylate ester in which the esterifying alcohol is 3-phenoxybenzyl alcohol and the cyclopropane ring is substituted with a 2,2-dichlorovinyl group and with gem-dimethyl groups. CAS:52645-53-1|DrugBank:DB04930|Drug_Central:4152|KEGG:C14388|KEGG:D05443|PMID:11082455|PMID:12419701|PMID:14617103|PMID:15599112|PMID:15663293|PMID:15966049|PMID:16423402|PMID:16481707|PMID:16599165|PMID:17140720|PMID:17220085|PMID:17451859|PMID:17597311|PMID:17980950|PMID:18274958|PMID:18570364|PMID:18692543|PMID:18723882|PMID:19079720|PMID:19090765|PMID:19278716|PMID:19343362|PMID:19835699|PMID:19962303|PMID:20960224|PMID:21069313|PMID:21133424|PMID:21235202|PMID:21240732|PMID:21251955|PMID:21352824|PMID:21485369|PMID:21756140|PMID:21809414|PMID:21812972|PMID:25042713|PPDB:515|Reaxys:5765325|VSDB:515|Wikipedia:Permethrin phenio.json (3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester|3-phenoxybenzyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate|Permethrin|permethrin http://purl.obolibrary.org/obo/CHEBI_34911 3_STAR
CHEBI:34923 biolink:ChemicalSubstance Pinacidil CAS:85371-64-8|KEGG:C13729|KEGG:D05482 phenio.json Pinacidil http://purl.obolibrary.org/obo/CHEBI_34923 2_STAR
CHEBI:3493 biolink:ChemicalSubstance cefoperazone A semi-synthetic parenteral cephalosporin with a tetrazolyl moiety that confers beta-lactamase resistance. CAS:62893-19-0|DrugBank:DB01329|Drug_Central:543|KEGG:C06883|KEGG:D07645|LINCS:LSM-15520|PMID:1384868|PMID:15073933|PMID:17560751|PMID:19241941|PMID:24033828|PMID:28543395|Reaxys:6050252|VSDB:1836|Wikipedia:Cefoperazone phenio.json (6R,7R)-7-((R)-2-(4-Ethyl-2,3-dioxo-1-piperazinylcarboxamido)-2-(4-hydroxyphenyl)acetamido)-3-((1-methyl-1H-tetrazol-5-yl)thiomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carbonsaeure|(6R,7R)-7-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7beta-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}-3-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl-3,4-didehydrocepham-4-carboxylic acid|CPZ|Cefoperazone|cefobid|cefoperazon|cefoperazone|cefoperazono|cefoperazonum http://purl.obolibrary.org/obo/CHEBI_3493 3_STAR
CHEBI:34941 biolink:ChemicalSubstance 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid An arenesulfonic acid that is pyridoxal 5'-phosphate carrying an additional 2,4-disulfophenylazo substituent at position 6. CAS:149017-66-3|KEGG:C13745|PMID:1330591|PMID:26472871|PMID:26647910|PMID:26680209|PMID:8306091|Reaxys:8172901|Wikipedia:PPADS phenio.json 4-((4-Formyl-5-hydroxy-6-methyl-3-((phosphonooxy)methyl)-2-pyridinyl)azo)-1,3-benzenedisulfonic acid|4-({4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl)benzene-1,3-disulfonic acid|PPADS|Pyridoxal phosphate-6-azophenyl-2',4'-disulfonic acid http://purl.obolibrary.org/obo/CHEBI_34941 3_STAR
CHEBI:34946 biolink:ChemicalSubstance Reactive blue 2 CAS:12236-82-7|KEGG:C13746 phenio.json Reactive blue 2 http://purl.obolibrary.org/obo/CHEBI_34946 2_STAR
CHEBI:34953 biolink:ChemicalSubstance Ro 61-8048 CAS:199666-03-0|KEGG:C14126 phenio.json Ro 61-8048 http://purl.obolibrary.org/obo/CHEBI_34953 2_STAR
CHEBI:34956 biolink:ChemicalSubstance ruthenium red CAS:25125-46-6|Gmelin:53071|KEGG:C13932|Reaxys:14328304|Reaxys:14404389|Reaxys:15563844 phenio.json Ruthenium red|[{Ru(NH3)5}(mu-O){Ru(NH3)4}(mu-O){Ru(NH3)5}]Cl6|tetradecaammine dioxotriruthenium hexachloride|tetradecaammine-1kappa(5)N,2kappa(5)N,3kappa(4)N-di-mu-oxidotriruthenium hexachloride http://purl.obolibrary.org/obo/CHEBI_34956 3_STAR
CHEBI:3496 biolink:ChemicalSubstance cefoselis A cephalosporin compound having [2-(2-hydroxyethyl)-3-imino-2,3-dihydro-1H-pyrazol-1-yl]methyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively. A 4th generation broad-spectrum cephalosporin. CAS:122841-10-5|Drug_Central:545|KEGG:C11210|KEGG:D07646|PMID:10729661|PMID:11211699|PMID:11815378|PMID:11866715|PMID:25027339|PMID:29017833|Wikipedia:Cefoselis phenio.json (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[2-(2-hydroxyethyl)-3-imino-2,3-dihydro-1H-pyrazol-1-yl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[2-(2-hydroxyethyl)-3-imino-2,3-dihydro-1H-pyrazol-1-yl]methyl}-3,4-didehydrocepham-4-carboxylic acid|Cefoselis|cefoselis|cefoselisum|wincef http://purl.obolibrary.org/obo/CHEBI_3496 3_STAR
CHEBI:34967 biolink:ChemicalSubstance rimonabant A carbohydrazide obtained by formal condensation of the carboxy group of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid with the amino group of 1-aminopiperidine. It is a potent and selective cannabinoid receptor 1 (CB1R) antagonist. Besides its antagonistic properties, numerous studies have shown that, at micromolar concentrations rimonabant behaves as an inverse agonist at CB1 receptors. The drug was the first selective CB1 antagonist/inverse agonist introduced into clinical practice to treat obesity and metabolic-related disorders. It was later withdrawn from market due to CNS-related adverse effects including depression and suicidal ideation. CAS:168273-06-1|Chemspider:94641|DrugBank:DB06155|Drug_Central:4150|HMDB:HMDB0015623|KEGG:C14319|KEGG:D05731|KNApSAcK:C00053749|LINCS:LSM-36994|PDBeChem:AY6|PMID:11881536|PMID:16934319|PMID:18290515|PMID:18479080|PMID:18654765|PMID:19490094|PMID:20067470|PMID:20828968|PMID:21470203|PMID:21740450|PMID:22182934|PMID:28429843|PMID:29407764|PMID:29797785|PMID:30077950|PMID:30300803|PMID:30556096|PMID:30682372|PMID:31522677|PMID:31898189|PMID:31981244|PMID:32085406|PMID:32417279|PMID:32463562|PMID:32512776|PMID:32781169|PMID:32885412|PMID:32904155|PMID:33121353|Wikipedia:Rimonabant phenio.json 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide|5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide|A 281|Acomplia|N-(1-piperidinyl)-1-(2,4-dichlorophenyl)-4-methyl-5-(4-chlorophenyl)-1H-pyrazole-3-carboxamide|SR 141716|SR141716|Zimulti|rimonabant|rimonabantum http://purl.obolibrary.org/obo/CHEBI_34967 3_STAR
CHEBI:34973 biolink:ChemicalSubstance Selfotel CAS:110347-85-8|KEGG:C13735|KEGG:D02410 phenio.json Selfotel http://purl.obolibrary.org/obo/CHEBI_34973 2_STAR
CHEBI:3498 biolink:ChemicalSubstance cefotaxime sodium A cephalosporin organic sodium salt having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups. Beilstein:8181277|CAS:64485-93-4|DrugBank:DB00493|Gmelin:1804247|KEGG:C08113|KEGG:D00919|PMID:24741808 phenio.json (+)-Cefotaxime sodium salt|CTX|Cefotaxime|Sodium 7-(2-(2-amino-4-thiazolyl)-2-methoxyiminoacetamido)cephalosporanate|Sodium cefotaxime|sodium (6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|sodium 3-(acetoxymethyl)-7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylate http://purl.obolibrary.org/obo/CHEBI_3498 3_STAR
CHEBI:34988 biolink:ChemicalSubstance sulmazole An imidazopyridine that is 1H-imidazo[4,5-b]pyridine which is substituted at position 2 by a 2-methoxy-4-(methylsulfinyl)phenyl group. An A1 adenosine receptor antagonist, it was formerly used as a cardiotonic agent. CAS:73384-60-8|Drug_Central:3574|KEGG:C13749|LINCS:LSM-4362|Patent:NL7401254|Patent:US3985891 phenio.json 2-[2-methoxy-4-(methylsulfinyl)phenyl]-1H-imidazo[4,5-b]pyridine|2-[2-methoxy-4-(methylsulfinyl)phenyl]-3H-imidazo[4,5-b]pyridine|sulmazol|sulmazole|sulmazolum http://purl.obolibrary.org/obo/CHEBI_34988 3_STAR
CHEBI:3499 biolink:ChemicalSubstance cefotetan A semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino groups at the 3, 7alpha, and 7beta positions, respectively, of the cephem skeleton. It is resistant to a wide range of beta-lactamases and is active against a broad spectrum of aerobic and anaerobic Gram-positive and Gram-negative microorganisms. CAS:69712-56-7|DrugBank:DB01330|Drug_Central:547|KEGG:C06886|KEGG:D00260|LINCS:LSM-5961|PMID:17664321|PMID:29017833|Patent:DE2824559|Patent:US4263432|Reaxys:5697364|Wikipedia:Cefotetan phenio.json (6R,7S)-7-(4-(carbamoylcarboxymethylene)-1,3-dithiethane-2-carboxamido)-7-methoxy-3-(((1-methyl-1H-tetrazol-5- yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2- carboxylic acid|(6R,7S)-7-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7beta-({[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbonyl}amino)-7alpha-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid|Cefotetan|cefotetan|cefotetanum http://purl.obolibrary.org/obo/CHEBI_3499 3_STAR
CHEBI:34990 biolink:ChemicalSubstance TRAM-34 KEGG:C13784 phenio.json 1-[(2-Chlorophenyl)diphenylmethyl]-1H-pyrazole|TRAM-34 http://purl.obolibrary.org/obo/CHEBI_34990 2_STAR
CHEBI:34992 biolink:ChemicalSubstance Talampanel CAS:161832-65-1|KEGG:C13670|KEGG:D02696 phenio.json Talampanel http://purl.obolibrary.org/obo/CHEBI_34992 2_STAR
CHEBI:34994 biolink:ChemicalSubstance teicoplanin A2 Any of the glycopeptides whose structure consists of teicoplanin A3-1 in which the hydroxy group of the di(aryloxy)-substituted phenol moiety has been converted to the corresponding 2-acylamino-2-deoxy-beta-D-glucoside. Members of the class differ only in the nature of the acyl group. KEGG:C13781 phenio.json teicoplanin A2-* http://purl.obolibrary.org/obo/CHEBI_34994 3_STAR
CHEBI:34995 biolink:ChemicalSubstance teicoplanin A2-1 A teicoplanin A2 that has (4Z)-dec-4-enoyl as the variable N-acyl group. CAS:91032-34-7|KEGG:C13587|Reaxys:6261779 phenio.json (Z)-34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxo-4-decenyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone|(Z)-34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxo-4-decenyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone|Teichomycin A2 factor 1|Teicoplanin A2-1 http://purl.obolibrary.org/obo/CHEBI_34995 3_STAR
CHEBI:34996 biolink:ChemicalSubstance teicoplanin A2-3 A teicoplanin A2 that has decanoyl as the variable N-acyl group. CAS:91032-36-9|KEGG:C13588|Reaxys:6995259 phenio.json 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone|34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone|Teichomycin A2 factor 3|Teicoplanin A2-3 http://purl.obolibrary.org/obo/CHEBI_34996 3_STAR
CHEBI:34997 biolink:ChemicalSubstance teicoplanin A2-4 A teicoplanin A2 that has 8-methyldecanoyl as the variable N-acyl group. CAS:91032-37-0|KEGG:C13610|Reaxys:6261978 phenio.json 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((8-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone|34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(8-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone|Teichomycin A2 factor 4|Teicoplanin A2-4 http://purl.obolibrary.org/obo/CHEBI_34997 3_STAR
CHEBI:34998 biolink:ChemicalSubstance teicoplanin A2-5 A teicoplanin A2 that has 9-methyldecanoyl as the variable N-acyl group. CAS:91032-38-1|KEGG:C13612|Reaxys:6995322|Reaxys:7509352 phenio.json 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-(2-deoxy-2-((9-methyl-1-oxodecyl)amino)-beta-D-glucopyranosyl)-42-O-alpha-D-mannopyranosylristomycin A aglycone|34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-56-O-{2-deoxy-2-[(9-methyl-1-oxodecyl)amino]-beta-D-glucopyranosyl}-42-O-alpha-D-mannopyranosylristomycin A aglycone|Teichomycin A2 factor 5|Teicoplanin A2-5 http://purl.obolibrary.org/obo/CHEBI_34998 3_STAR
CHEBI:34999 biolink:ChemicalSubstance teicoplanin A3-1 A glycopeptide consisting of a macropolycyclic heptapeptide in which a phenolic hydroxy group has been converted to its alpha-D-mannoside while a secondary alcohol group has been converted to the corresponding 2-acetamido-2-deoxy-beta-D-glucoside. CAS:93616-27-4|KEGG:C13613|PMID:1416858|Reaxys:6267420 phenio.json 34-O-(2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl)-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone|34-O-[2-(acetamido)-2-deoxy-beta-D-glucopyranosyl]-22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-42-O-alpha-D-mannopyranosylristomycin A aglycone|Teicoplanin A3-1 http://purl.obolibrary.org/obo/CHEBI_34999 3_STAR
CHEBI:35008 biolink:ChemicalSubstance tetralin An ortho-fused bicyclic hydrocarbon that is 1,2,3,4-tetrahydro derivative of naphthalene. CAS:119-64-2|Gmelin:3348|KEGG:C14114|PMID:23732916|PMID:24325207|Reaxys:1446407|Wikipedia:Tetralin phenio.json 1,2,3,4-Tetrahydronaphthalene|1,2,3,4-tetrahydronaphthalene|Tetralin|benzocyclohexane|naphthalene 1,2,3,4-tetrahydride|tetralene http://purl.obolibrary.org/obo/CHEBI_35008 3_STAR
CHEBI:35014 biolink:ChemicalSubstance thiophanate-methyl A member of the class of thioureas that is the dimethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould. CAS:23564-05-8|KEGG:C14432|PMID:22057426|PMID:22667099|PMID:23242258|PMID:23775824|PMID:23978278|PMID:24256946|PMID:24366405|PPDB:640|Pesticides:thiophanate-methyl|Reaxys:937942 phenio.json 1,2-Bis(3-(methoxycarbonyl)-2-thioureido)benzene|1,2-Bis(methoxycarbonylthioureido)benzene|1,2-Di-(3-methoxycarbonyl-2-thioureido)benzene|Methyl thiophanate|Methylthiofanate|Methylthiophanate|dimethyl (1,2-phenylenedicarbamothioyl)biscarbamate|dimethyl 4,4'-(o-phenylene)bis(3-thioallophanate)|dimethyl N,N'-[1,2-phenylenebis(azanediylcarbonothioyl)]dicarbamate|dimethyl N,N'-[1,2-phenylenebis(iminocarbonothioyl)]bis[carbamate]|o-Bis(3-methoxycarbonyl-2-thioureido)benzene http://purl.obolibrary.org/obo/CHEBI_35014 3_STAR
CHEBI:35020 biolink:ChemicalSubstance tributyrin A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by butyric acid. CAS:60-01-5|HMDB:HMDB0031094|KEGG:C13870|MetaCyc:CPD-13014|PMID:23568954|PMID:23630018|PMID:23887917|PMID:24121865|PMID:24302446|PMID:24506942|PMID:24576724|PMID:24890666|Reaxys:1714746|Wikipedia:Butyrin phenio.json 1,2,3-Propanetriol, tributyrate|1,2,3-Propanetriyl tributanoate|1,2,3-Tributyrylglycerol|1,2,3-tributanoylglycerol|2,3-Bis(butyryloxy)propyl butyrate|Butanoic acid, 1,2,3-propanetriyl ester|Butyrin|Butyryl triglyceride|Glycerin tributyrate|Glycerol tributanoate|Glycerol tributyrate|Glyceroltributyrin|Glyceryl tributyrate|Tri-n-butyrin|Tributin|Tributyryl glyceride|propane-1,2,3-triyl tributanoate|propane-1,2,3-triyl tributyrate http://purl.obolibrary.org/obo/CHEBI_35020 3_STAR
CHEBI:35026 biolink:ChemicalSubstance triethylamine A tertiary amine that is ammonia in which each hydrogen atom is substituted by an ethyl group. CAS:121-44-8|Gmelin:2455|HMDB:HMDB0032539|KEGG:C14691|MetaCyc:TRIETHYLAMINE|PDBeChem:TEA|PMID:24359525|Reaxys:605283|Wikipedia:Triethylamine phenio.json (C2H5)3N|(diethylamino)ethane|N,N,N-triethylamine|N,N-Diethylethanamine|N,N-diethylethanamine|NEt3|TEA|TEN|Triaethylamin|Triethylamin|Triethylamine http://purl.obolibrary.org/obo/CHEBI_35026 3_STAR
CHEBI:35027 biolink:ChemicalSubstance trifluralin A substituted aniline that is N,N-dipropylaniline substituted by a nitro groups at positions 2 and 6 and a trifluoromethyl group at position 4. It is an agrochemical used as a pre-emergence herbicide. CAS:1582-09-8|KEGG:C14343|PMID:21544921|PMID:24584589|PMID:24984475|PMID:25277710|PPDB:667|Pesticides:trifluralin|Reaxys:1893555|Wikipedia:Trifluralin phenio.json 2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline|2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)benzenamine|alpha,alpha,alpha-trifluoro-2,6-dinitro-N,N-dipropyl-p-toluidine http://purl.obolibrary.org/obo/CHEBI_35027 3_STAR
CHEBI:3503 biolink:ChemicalSubstance cefpirome A fourth-generation cephalosporin antibiotic having 6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups located at positions 3 and 7 respectively. CAS:84957-29-9|Drug_Central:553|KEGG:C11199|KEGG:D07649|PMID:1287135|PMID:26004702|PMID:26870331|PMID:29017833|Reaxys:4241500|Wikipedia:Cefpirome phenio.json (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(6,7-dihydro-5H-cyclopenta[b]pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylic acid|Cefpirome|HR 810|cefpiroma|cefpirome|cefpiromum|cefrom http://purl.obolibrary.org/obo/CHEBI_3503 3_STAR
CHEBI:35032 biolink:ChemicalSubstance trioxilin B3 A trioxilin having (all-cis 5,8,14) double bond configuration; and 10-, (11S)- and (12R)-hydroxy substituents. KEGG:C14811|LIPID_MAPS_instance:LMFA03090004|PMID:9540966 phenio.json (5Z,8Z,11S,12R,14Z)-10,11,12-trihydroxyicosa-5,8,14-trienoic acid|(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyeicosa-5,8,14-trienoic acid|(5Z,8Z,14Z)-(11S,12R)-10,11,12-Trihydroxyicosa-5,8,14-trienoic acid|10,11S,12R-triOH all-cis-5,8,14-20:3|10,11S,12R-triOH all-cis-5,8,14-C20:3|Trioxilin B3|troxilin B3 http://purl.obolibrary.org/obo/CHEBI_35032 3_STAR
CHEBI:35033 biolink:ChemicalSubstance triphenyl phosphate An aryl phosphate resulting from the formal condensation of phosphoric acid with 3 mol eq. of phenol. CAS:115-86-6|KEGG:C14235|PMID:24316320|PMID:24395120|Reaxys:1888236|Wikipedia:Triphenyl_phosphate phenio.json Phosphoric acid, triphenyl ester|TPP|Triphenoxyphosphine oxide|Triphenyl phosphate|Triphenylphosphate|triphenyl phosphate http://purl.obolibrary.org/obo/CHEBI_35033 3_STAR
CHEBI:3504 biolink:ChemicalSubstance cefpodoxime A third-generation cephalosporin antibiotic with methoxymethyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamino substituents at positions 3 and 7, respectively, of the cephem skeleton. Given by mouth as its proxetil ester prodrug, it is used to treat acute otitis media, pharyngitis, and sinusitis. CAS:80210-62-4|DrugBank:DB01416|KEGG:C08114|KEGG:D07650|PMID:20606336|PMID:20821175|PMID:21395603|PMID:21420838|PMID:21455420|PMID:21509928|PMID:21569093|PMID:21667000|PMID:29017833|Reaxys:6021381|VSDB:2968|Wikipedia:Cefpodoxime phenio.json (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3,4-didehydrocepham-4-carboxylic acid|cefpodoxima|cefpodoxime|cefpodoximum http://purl.obolibrary.org/obo/CHEBI_3504 3_STAR
CHEBI:35044 biolink:ChemicalSubstance Ulifloxacin CAS:112984-60-8|Drug_Central:2790|KEGG:C14492 phenio.json NM 394|NM394|Ulifloxacin http://purl.obolibrary.org/obo/CHEBI_35044 2_STAR
CHEBI:3505 biolink:ChemicalSubstance cefpodoxime proxetil The 1-[(isopropoxycarbonyl)oxy]ethyl (proxetil) ester prodrug of cefpodoxime. After swallowing, hydrolysis of the ester group occurs in the intestinal epithelium, to release active cefpodoxime in the bloodstream. It is used to treat acute otitis media, pharyngitis, and sinusitis. Beilstein:8174918|CAS:87239-81-4|DrugBank:DB01416|Drug_Central:555|KEGG:C08115|KEGG:D00920|Patent:EP49118|Patent:US4486425 phenio.json (RS)-1-((isopropoxycarbonyl)oxy)ethyl (+)-(6R,7R)-7-(2-(2-amino-4-thiazolyl)-2-((Z)-methoxyimino)acetamido)-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate|1-{[(propan-2-yloxy)carbonyl]oxy}ethyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|1-{[(propan-2-yloxy)carbonyl]oxy}ethyl 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3,4-didehydrocepham-4-carboxylate|cefpodoxime 1-(isopropyloxycarbonyloxy)ethyl ester http://purl.obolibrary.org/obo/CHEBI_3505 3_STAR
CHEBI:350546 biolink:ChemicalSubstance serotonin(1+) An ammonium ion that is the conjugate acid of serotonin; major species at pH 7.3. phenio.json 2-(5-hydroxy-1H-indol-3-yl)ethanaminium|serotonin|serotonin cation http://purl.obolibrary.org/obo/CHEBI_350546 3_STAR
CHEBI:35056 biolink:ChemicalSubstance adenosine 5'-[alpha,beta-methylene]triphosphate KEGG:C13740|PDBeChem:APC phenio.json 5'-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl)adenosine|alpha,beta-Methylene ATP http://purl.obolibrary.org/obo/CHEBI_35056 3_STAR
CHEBI:35058 biolink:ChemicalSubstance alpha-EMTBL CAS:103620-92-4|KEGG:C13720 phenio.json alpha-EMTBL|alpha-Ethyl-alpha-methyl-thiobutyrolactone http://purl.obolibrary.org/obo/CHEBI_35058 2_STAR
CHEBI:35063 biolink:ChemicalSubstance alpha-zeacarotene Beilstein:2512967|CAS:50657-19-7|KEGG:C14146|LIPID_MAPS_instance:LMPR01070285 phenio.json 7',8'-dihydro-epsilon,psi-carotene|alpha-Zeacarotene http://purl.obolibrary.org/obo/CHEBI_35063 3_STAR
CHEBI:3508 biolink:ChemicalSubstance ceftazidime A third-generation cephalosporin antibiotic bearing pyridinium-1-ylmethyl and {[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. CAS:72558-82-8|DrugBank:DB00438|KEGG:C06889|KEGG:D07654|PMID:11252323|PMID:11284241|PMID:11591698|PMID:11605815|PMID:11815759|PMID:12048030|PMID:12120880|PMID:12523657|PMID:12767750|PMID:12833570|PMID:1384868|PMID:14961139|PMID:15528892|PMID:15618675|PMID:15687217|PMID:15913752|PMID:16092041|PMID:16501927|PMID:16956383|PMID:18611568|PMID:18926104|PMID:19810175|PMID:1991925|PMID:2068466|PMID:24089577|PMID:2570956|PMID:28543395|Patent:DE2921316|Patent:US4258041|Reaxys:5475149|Wikipedia:Ceftazidime phenio.json (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-(pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate|CAZ|Ceftazidime anhydrous|ceftazidima|ceftazidime|ceftazidimum http://purl.obolibrary.org/obo/CHEBI_3508 3_STAR
CHEBI:3509 biolink:ChemicalSubstance ceftazidime pentahydrate A hydrate that is the pentahydrate of ceftazidime, a cephalosporin having 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino and 3-pyridinium-1-ylmethyl side-groups. CAS:78439-06-2|DrugBank:DB00438|KEGG:D00921|Patent:DE3037102|Patent:US4329453|Reaxys:6561390 phenio.json (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-8-oxo-3-(pyridinium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate pentahydrate|7beta-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-(pyridinium-1-ylmethyl)-3,4-didehydrocepham-4-carboxylate--water (1/5)|CAZ|Ceftazidime|Ceftazidime hydrate http://purl.obolibrary.org/obo/CHEBI_3509 3_STAR
CHEBI:35106 biolink:ChemicalSubstance nitrogen hydride phenio.json nitrogen hydrides http://purl.obolibrary.org/obo/CHEBI_35106 3_STAR
CHEBI:35107 biolink:ChemicalSubstance azane Saturated acyclic nitrogen hydrides having the general formula NnHn+2. phenio.json azanes http://purl.obolibrary.org/obo/CHEBI_35107 3_STAR
CHEBI:35113 biolink:ChemicalSubstance elemental mercury phenio.json http://purl.obolibrary.org/obo/CHEBI_35113 3_STAR
CHEBI:35114 biolink:ChemicalSubstance 3-isopropylmalic acid CAS:16048-89-8|DrugBank:DB04279|PMID:14269331|PMID:31126479|PMID:32259735|PMID:32677749 phenio.json 2-hydroxy-3-(propan-2-yl)butanedioic acid|2-hydroxy-3-isopropylsuccinic acid|3-carboxy-2-hydroxy-4-methylpentanoic acid http://purl.obolibrary.org/obo/CHEBI_35114 3_STAR
CHEBI:35115 biolink:ChemicalSubstance elemental manganese phenio.json http://purl.obolibrary.org/obo/CHEBI_35115 3_STAR
CHEBI:35117 biolink:ChemicalSubstance manganese coordination entity phenio.json manganese coordination compounds|manganese coordination entities|manganese coordination entity http://purl.obolibrary.org/obo/CHEBI_35117 3_STAR
CHEBI:35121 biolink:ChemicalSubstance (2R,3S)-3-isopropylmalate(2-) KEGG:C04411 phenio.json (2R,3S)-2-hydroxy-3-(propan-2-yl)butanedioate|(2R,3S)-2-hydroxy-3-isopropylsuccinate|(2R,3S)-3-Isopropylmalate|(2R,3S)-3-isopropylmalate|2-D-threo-Hydroxy-3-carboxy-isocaproate http://purl.obolibrary.org/obo/CHEBI_35121 3_STAR
CHEBI:35128 biolink:ChemicalSubstance (2S)-2-isopropylmalic acid An optically active form of 2-isopropylmalic acid having S-configuration. CAS:49601-06-1|HMDB:HMDB0000402|KEGG:C02504|KNApSAcK:C00019690|LIPID_MAPS_instance:LMFA01170083|Reaxys:2085861 phenio.json (2S)-2-Hydroxy-2-isopropylsuccinic acid|(2S)-2-Isopropylmalate|(2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid|(2S)-2-hydroxy-2-isopropylsuccinic acid|(3S)-3-carboxy-3-hydroxy-4-methylpentanoic acid|(3S)-3-carboxy-3-hydroxyisocaproic acid|(S)-2-Hydroxy-2-(isopropyl)succinic acid|2-Isopropylmalic acid|3-Carboxy-3-hydroxy-4-methylpentanoate|3-Carboxy-3-hydroxyisocaproate http://purl.obolibrary.org/obo/CHEBI_35128 3_STAR
CHEBI:35131 biolink:ChemicalSubstance aldose phosphate phenio.json aldose phosphates http://purl.obolibrary.org/obo/CHEBI_35131 3_STAR
CHEBI:35132 biolink:ChemicalSubstance ketose phosphate phenio.json ketose phosphate|ketose phosphates http://purl.obolibrary.org/obo/CHEBI_35132 3_STAR
CHEBI:35133 biolink:ChemicalSubstance ketoheptose phosphate phenio.json ketoheptose phosphate|ketoheptose phosphates http://purl.obolibrary.org/obo/CHEBI_35133 3_STAR
CHEBI:35134 biolink:ChemicalSubstance metalloprotein COMe:PRX000002 phenio.json metalloprotein|metalloproteine|metalloproteins http://purl.obolibrary.org/obo/CHEBI_35134 3_STAR
CHEBI:351346 biolink:ChemicalSubstance phenethyl isothiocyanate An isothiocyanate having a phenethyl group attached to the nitrogen. It is a naturally occurring compound found in some cruciferous vegetables (e.g. watercress) and is known to possess anticancer properties. CAS:2257-09-2|LINCS:LSM-4926|PMID:10636242|PMID:16800772|PMID:19376091|PMID:20371259|PMID:21702500|PMID:21712538|PMID:21739479|PMID:21815843|PMID:22174033|PMID:22266918|PMID:22308101|PMID:22351438|PMID:7562599|Reaxys:2084162|Wikipedia:Phenethyl_isothiocyanate phenio.json (2-Isothiocyanatoethyl)benzene|(2-isothiocyanatoethyl)benzene|2-Phenylethyl isothiocyanate|PEITC|Phenethyl mustard oil|Phenylaethylsenfoel|Phenylethyl isothiocyanate|beta-phenethyl isothiocyanate|beta-phenylethyl isothiocyanate http://purl.obolibrary.org/obo/CHEBI_351346 3_STAR
CHEBI:35135 biolink:ChemicalSubstance iron-sulfur protein A protein in which iron is coordinated with cysteine sulfur and also with inorganic sulfur. COMe:PRX000007 phenio.json Fe-S protein|Fe-S proteins|iron-sulfur proteins|iron-sulphur protein http://purl.obolibrary.org/obo/CHEBI_35135 3_STAR
CHEBI:35136 biolink:ChemicalSubstance iron protein COMe:PRX000004 phenio.json iron protein|iron proteins|iron-containing proteins http://purl.obolibrary.org/obo/CHEBI_35136 3_STAR
CHEBI:35137 biolink:ChemicalSubstance hemoprotein Conjugated proteins containing heme as the prosthetic group. COMe:PRX000008 phenio.json Haemoprotein|Haemprotein|haem protein|haemoprotein|heme protein|hemeproteins|hemoprotein|hemoproteins http://purl.obolibrary.org/obo/CHEBI_35137 3_STAR
CHEBI:35138 biolink:ChemicalSubstance aldotetrose phosphate phenio.json aldotetrose phosphate|aldotetrose phosphates http://purl.obolibrary.org/obo/CHEBI_35138 3_STAR
CHEBI:35139 biolink:ChemicalSubstance uronic acid phosphate phenio.json uronic acid phosphate|uronic acid phosphates http://purl.obolibrary.org/obo/CHEBI_35139 3_STAR
CHEBI:35142 biolink:ChemicalSubstance aldotriose phosphate phenio.json aldotriose phosphate|aldotriose phosphates http://purl.obolibrary.org/obo/CHEBI_35142 3_STAR
CHEBI:35143 biolink:ChemicalSubstance hemoglobin COMe:PRX000321 phenio.json haemoglobin|hemoglobin|vertebrate haemoglobin http://purl.obolibrary.org/obo/CHEBI_35143 3_STAR
CHEBI:35145 biolink:ChemicalSubstance D-glucuronic acid 1-phosphate A uronic acid phosphate consisting of D-glucuronic acid having a phosphate group attached at the 1-position. phenio.json 1-O-phosphono-D-glucopyranuronic acid http://purl.obolibrary.org/obo/CHEBI_35145 3_STAR
CHEBI:35146 biolink:ChemicalSubstance (S)-3-methyl-2-oxovalerate The conjugate base of (S)-3-methyl-2-oxopentanoic acid. Beilstein:3904283|KEGG:C00671 phenio.json (3S)-3-Methyl-2-oxopentanoate|(3S)-3-methyl-2-oxopentanoate|(S)-3-methyl-2-oxopentanoate|(S)-3-methyl-2-oxovalerate http://purl.obolibrary.org/obo/CHEBI_35146 3_STAR
CHEBI:35147 biolink:ChemicalSubstance (6'R)-beta,epsilon-carotene Beilstein:2067409|CAS:7488-99-5|LIPID_MAPS_instance:LMPR01070011 phenio.json (+)-alpha-carotene|(6'R)-beta,epsilon-carotene|alpha-carotene (natural) http://purl.obolibrary.org/obo/CHEBI_35147 3_STAR
CHEBI:35148 biolink:ChemicalSubstance (6'S)-beta,epsilon-carotene Beilstein:2682045 phenio.json (6'S)-beta,epsilon-carotene http://purl.obolibrary.org/obo/CHEBI_35148 3_STAR
CHEBI:3515 biolink:ChemicalSubstance cefuroxime A 3-(carbamoyloxymethyl)cephalosporin compound having a 7-(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido side chain. CAS:55268-75-2|DrugBank:DB01112|Drug_Central:565|KEGG:C06894|KEGG:D00262|MetaCyc:CPD0-2069|PMID:11168076|PMID:11322179|PMID:11581233|PMID:12141712|PMID:12235459|PMID:12833570|PMID:12898829|PMID:14658923|PMID:15052582|PMID:15828440|PMID:16341950|PMID:17111749|PMID:17113884|PMID:17261579|PMID:17366015|PMID:17676080|PMID:18208759|PMID:18611587|PMID:18795089|PMID:18931469|PMID:19069618|PMID:19142482|PMID:19411164|PMID:21425867|PMID:29017833|Patent:DE2439880|Patent:DE2706413|Patent:US3974153|Patent:US4267320|Reaxys:5783190|Wikipedia:Cefuroxime phenio.json (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-furan-2-yl-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|3-[(carbamoyloxy)methyl]-7beta-[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido]-3,4-didehydrocepham-4-carboxylic acid|Cefuroxim|Cefuroxime|Cephuroxime|Sharox|Zinacef Danmark|cefuroxime|cefuroximo|cefuroximum http://purl.obolibrary.org/obo/CHEBI_3515 3_STAR
CHEBI:35155 biolink:ChemicalSubstance elemental calcium phenio.json http://purl.obolibrary.org/obo/CHEBI_35155 3_STAR
CHEBI:35156 biolink:ChemicalSubstance calcium salt phenio.json Kalziumsalz|Kalziumsalze|calcium salts http://purl.obolibrary.org/obo/CHEBI_35156 3_STAR
CHEBI:35157 biolink:ChemicalSubstance aldoheptose phosphate phenio.json aldoheptose phosphate|aldoheptose phosphates http://purl.obolibrary.org/obo/CHEBI_35157 3_STAR
CHEBI:35158 biolink:ChemicalSubstance ribose bisphosphate phenio.json ribose bisphosphate|ribose bisphosphates http://purl.obolibrary.org/obo/CHEBI_35158 3_STAR
CHEBI:35159 biolink:ChemicalSubstance ribose monophosphate phenio.json ribose monophosphate|ribose monophosphates http://purl.obolibrary.org/obo/CHEBI_35159 3_STAR
CHEBI:3516 biolink:ChemicalSubstance Cefuroxime axetil CAS:64544-07-6|Drug_Central:566|KEGG:C08107|KEGG:D00914 phenio.json Cefuroxime 1-acetoxyethyl ester|Cefuroxime axetil|altacef|cefazine|ceftin|cefurax|oraxim http://purl.obolibrary.org/obo/CHEBI_3516 2_STAR
CHEBI:35160 biolink:ChemicalSubstance phosphomethylribose phenio.json phosphomethylribose|phosphomethylriboses http://purl.obolibrary.org/obo/CHEBI_35160 3_STAR
CHEBI:35161 biolink:ChemicalSubstance deoxyketopentose phosphate phenio.json deoxyketopentose phosphate|deoxyketopentose phosphates http://purl.obolibrary.org/obo/CHEBI_35161 3_STAR
CHEBI:35162 biolink:ChemicalSubstance acyclic carotene phenio.json acyclic carotene|acyclic carotenes http://purl.obolibrary.org/obo/CHEBI_35162 3_STAR
CHEBI:35163 biolink:ChemicalSubstance cyclic carotene phenio.json cyclic carotene|cyclic carotenes http://purl.obolibrary.org/obo/CHEBI_35163 3_STAR
CHEBI:35164 biolink:ChemicalSubstance 2,4'-dihydroxyacetophenone A dihydroxyacetophenone that is ethanone substituted by a hydroxy group at position 2 and a 4-hydroxyphenyl group at position 1. Beilstein:1941305|CAS:5706-85-4|KEGG:C13635 phenio.json 2,4'-Dihydroxyacetophenone|2,4'-dihydroxyacetophenone|2-hydroxy-1-(4-hydroxyphenyl)ethanone|4-Hydroxyphenacyl alcohol http://purl.obolibrary.org/obo/CHEBI_35164 3_STAR
CHEBI:35166 biolink:ChemicalSubstance vanadium coordination entity phenio.json vanadium coordination compounds|vanadium coordination entities|vanadium coordination entity http://purl.obolibrary.org/obo/CHEBI_35166 3_STAR
CHEBI:35168 biolink:ChemicalSubstance hydrogenvanadate A divalent inorganic anion obtained by removal of two protons from vanadic acid. Gmelin:2108|MolBase:50 phenio.json HVO4(2-)|[V(OH)O3](2-)|[VO3(OH)](2-)|hydrogen vanadate(V)|hydrogen(tetraoxidovanadate)(2-)|hydroxidotrioxidovanadate(2-) http://purl.obolibrary.org/obo/CHEBI_35168 3_STAR
CHEBI:35169 biolink:ChemicalSubstance dihydrogenvanadate A monovalent inorganic anion that consists of vanadic acid where one of the three OH groups has been deprotonated. Gmelin:2109|MolBase:53 phenio.json H2VO4(-)|[V(OH)2O2](-)|[VO2(OH)2](-)|dihydrogen(tetraoxidovanadate)(1-)|dihydroxidodioxidovanadate(1-)|vanadate http://purl.obolibrary.org/obo/CHEBI_35169 3_STAR
CHEBI:35171 biolink:ChemicalSubstance elemental vanadium phenio.json http://purl.obolibrary.org/obo/CHEBI_35171 3_STAR
CHEBI:35172 biolink:ChemicalSubstance vanadium cation phenio.json vanadium cation|vanadium cations http://purl.obolibrary.org/obo/CHEBI_35172 3_STAR
CHEBI:35173 biolink:ChemicalSubstance 2-dehydro-3-deoxy-L-arabinonate phenio.json (4R)-4,5-dihydroxy-2-oxopentanoate|2-dehydro-3-deoxy-L-arabinonate|3-deoxy-L-pent-2-ulosonate http://purl.obolibrary.org/obo/CHEBI_35173 3_STAR
CHEBI:35175 biolink:ChemicalSubstance sulfate salt phenio.json sulfate salts|sulfates|sulphate salts|sulphates http://purl.obolibrary.org/obo/CHEBI_35175 3_STAR
CHEBI:35177 biolink:ChemicalSubstance 2-oxohexanoate A medium-chain fatty acid anion that is the conjugate base of 2-oxohexanoic acid. KEGG:C00902|PMID:16014804|PMID:7045091 phenio.json 2-Oxohexanoate|2-ketocaproate|2-ketohexanoate|2-oxocaproate|2-oxohexanoate http://purl.obolibrary.org/obo/CHEBI_35177 3_STAR
CHEBI:35179 biolink:ChemicalSubstance 2-oxo monocarboxylic acid anion An oxo monocarboxylic acid anion in which the oxo group is located at the 2-position. MetaCyc:2-Oxo-carboxylates|PMID:10850983 phenio.json 2-oxo monocarboxylate|2-oxo monocarboxylic acid anions|a 2-oxocarboxylate http://purl.obolibrary.org/obo/CHEBI_35179 3_STAR
CHEBI:35181 biolink:ChemicalSubstance 4-amino-4-deoxychorismate(2-) A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 4-amino-4-deoxychorismic acid. KEGG:C11355|MetaCyc:4-AMINO-4-DEOXYCHORISMATE|Reaxys:21082541 phenio.json (3R,4R)-4-amino-3-[(1-carboxylatoethenyl)oxy]cyclohexa-1,5-diene-1-carboxylate|4-Amino-4-deoxychorismate|ADC http://purl.obolibrary.org/obo/CHEBI_35181 3_STAR
CHEBI:35184 biolink:ChemicalSubstance gluconic acid phosphate phenio.json gluconic acid phosphates http://purl.obolibrary.org/obo/CHEBI_35184 3_STAR
CHEBI:35186 biolink:ChemicalSubstance terpene A hydrocarbon of biological origin having carbon skeleton formally derived from isoprene [CH2=C(CH3)CH=CH2]. phenio.json Terpen|terpene|terpenes|terpeno|terpenos http://purl.obolibrary.org/obo/CHEBI_35186 3_STAR
CHEBI:35187 biolink:ChemicalSubstance monoterpene A C10 terpene. phenio.json Monoterpen|monoterpenes|monoterpeno|monoterpenos http://purl.obolibrary.org/obo/CHEBI_35187 3_STAR
CHEBI:35188 biolink:ChemicalSubstance hemiterpene A C5 terpene. phenio.json Hemiterpen|hemiterpenes|hemiterpeno|hemiterpenos http://purl.obolibrary.org/obo/CHEBI_35188 3_STAR
CHEBI:35189 biolink:ChemicalSubstance sesquiterpene A C15 terpene. phenio.json Sesquiterpen|sesquiterpenes|sesquiterpeno|sesquiterpenos http://purl.obolibrary.org/obo/CHEBI_35189 3_STAR
CHEBI:35190 biolink:ChemicalSubstance diterpene A C20 terpene. phenio.json Diterpen|diterpenes|diterpeno|diterpenos http://purl.obolibrary.org/obo/CHEBI_35190 3_STAR
CHEBI:35191 biolink:ChemicalSubstance triterpene A C30 terpene. phenio.json Triterpen|triterpenes|triterpeno|triterpenos http://purl.obolibrary.org/obo/CHEBI_35191 3_STAR
CHEBI:35192 biolink:ChemicalSubstance sesterterpene A C25 terpene. phenio.json Sesterterpen|sesterterpenes|sesterterpeno|sesterterpenos http://purl.obolibrary.org/obo/CHEBI_35192 3_STAR
CHEBI:35193 biolink:ChemicalSubstance tetraterpene A C40 terpene. phenio.json tetraterpenes|tetraterpeno|tetraterpenos http://purl.obolibrary.org/obo/CHEBI_35193 3_STAR
CHEBI:35194 biolink:ChemicalSubstance isoprene A hemiterpene with the formula CH2=C(CH3)CH=CH2; the monomer of natural rubber and a common structure motif to the isoprenoids, a large class of other naturally occurring compounds. CAS:78-79-5|Gmelin:1768|KEGG:C16521|MetaCyc:CPD-9436|PMID:17921528|PMID:19011917|PMID:8690002|Reaxys:969158|Wikipedia:Isoprene phenio.json 2-Methyl-1,3-butadiene|2-methyl-1,3-butadiene|2-methylbuta-1,3-diene|2-methylbutadiene|2-methyldivinyl|CH2=C(CH3)CH=CH2|Isopren|beta-methylbivinyl|isopentadiene|isoprene|isopreno|isoterpene http://purl.obolibrary.org/obo/CHEBI_35194 3_STAR
CHEBI:35195 biolink:ChemicalSubstance surfactant A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces. phenio.json surface active agent|surfactant|surfactants http://purl.obolibrary.org/obo/CHEBI_35195 3_STAR
CHEBI:35196 biolink:ChemicalSubstance nitrogen oxide phenio.json nitrogen oxides|oxides of nitrogen http://purl.obolibrary.org/obo/CHEBI_35196 3_STAR
CHEBI:35202 biolink:ChemicalSubstance molybdenum coordination entity phenio.json molybdenum coordination compounds|molybdenum coordination entities http://purl.obolibrary.org/obo/CHEBI_35202 3_STAR
CHEBI:35203 biolink:ChemicalSubstance molybdopterins Wikipedia:Molybdopterin phenio.json http://purl.obolibrary.org/obo/CHEBI_35203 3_STAR
CHEBI:35204 biolink:ChemicalSubstance tracer A role played by a foreign substance mixed with or attached to a given substance to enable the distribution or location of the latter to be determined subsequently. phenio.json tracer http://purl.obolibrary.org/obo/CHEBI_35204 3_STAR
CHEBI:35208 biolink:ChemicalSubstance physical tracer A physical tracer is one that is attached by physical means to the object being traced. phenio.json physical tracer http://purl.obolibrary.org/obo/CHEBI_35208 3_STAR
CHEBI:35209 biolink:ChemicalSubstance label A role played by a part of a molecular entity distinguishable by the observer but not by the system and used to identify a tracer. phenio.json label http://purl.obolibrary.org/obo/CHEBI_35209 3_STAR
CHEBI:35213 biolink:ChemicalSubstance cyclodepsipeptide A depsipeptide in which the amino and hydroxy carboxylic acid residues are connected in a ring. phenio.json Cyclodepsipeptid|Zyklodepsipeptid|cyclodepsipeptides http://purl.obolibrary.org/obo/CHEBI_35213 3_STAR
CHEBI:35217 biolink:ChemicalSubstance alkaline earth coordination entity phenio.json alkaline earth coordination compounds|alkaline earth coordination entities|alkaline earth coordination entity http://purl.obolibrary.org/obo/CHEBI_35217 3_STAR
CHEBI:35218 biolink:ChemicalSubstance anthocyanin cation Any flavonoid that is a glycoside derivative of an anthocyanidin cation. phenio.json anthocyanin cations|anthocyanins http://purl.obolibrary.org/obo/CHEBI_35218 3_STAR
CHEBI:35219 biolink:ChemicalSubstance plant growth retardant phenio.json plant growth inhibitor|plant growth inhibitors|plant growth retardants http://purl.obolibrary.org/obo/CHEBI_35219 3_STAR
CHEBI:35221 biolink:ChemicalSubstance antimetabolite A substance which is structurally similar to a metabolite but which competes with it or replaces it, and so prevents or reduces its normal utilization. Wikipedia:Antimetabolite phenio.json antimetabolite|antimetabolites http://purl.obolibrary.org/obo/CHEBI_35221 3_STAR
CHEBI:35222 biolink:ChemicalSubstance inhibitor A substance that diminishes the rate of a chemical reaction. phenio.json inhibidor|inhibiteur|inhibitor|inhibitors http://purl.obolibrary.org/obo/CHEBI_35222 3_STAR
CHEBI:35223 biolink:ChemicalSubstance catalyst A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction. phenio.json Katalysator|catalizador|catalyseur|catalyst http://purl.obolibrary.org/obo/CHEBI_35223 3_STAR
CHEBI:35224 biolink:ChemicalSubstance effector A small molecule which increases (activator) or decreases (inhibitor) the activity of an (allosteric) enzyme by binding to the enzyme at the regulatory site (which is different from the substrate-binding catalytic site). Wikipedia:Effector_(biology) phenio.json effector|enzyme modulator http://purl.obolibrary.org/obo/CHEBI_35224 3_STAR
CHEBI:35225 biolink:ChemicalSubstance buffer Any substance or mixture of substances that, in solution (typically aqueous), resists change in pH upon addition of small amounts of acid or base. phenio.json buffer compound|buffer compounds http://purl.obolibrary.org/obo/CHEBI_35225 3_STAR
CHEBI:35227 biolink:ChemicalSubstance 4-nitrotoluene A mononitrotoluene that consists of toluene bearing a nitro substituent at the 4-position. Beilstein:1906911|CAS:99-99-0|Gmelin:26926|KEGG:C14394|PMID:21895789|PMID:23389716|PMID:9139924|Reaxys:1906911 phenio.json 1-Methyl-4-nitrobenzene|1-methyl-4-nitrobenzene|4-Nitrotoluene|4-Nitrotoluol|4-methylnitrobenzene|4-nitrotoluene|PNT|p-methylnitrobenzene|p-nitrotoluene|para-Nitrotoluol http://purl.obolibrary.org/obo/CHEBI_35227 3_STAR
CHEBI:3523 biolink:ChemicalSubstance cellodextrin A dextrin of varying length (two or more glucose monomers) resulting from cellulolysis, the breakdown of cellulose. KEGG:C01898 phenio.json Cellodextrin|cellodextrins http://purl.obolibrary.org/obo/CHEBI_3523 3_STAR
CHEBI:35230 biolink:ChemicalSubstance fossil fuel A fuel such as coal, oil and natural gas which has formed over many years through the decomposition of deposited vegetation which was under extreme pressure of an overburden of earth. phenio.json fossil fuel http://purl.obolibrary.org/obo/CHEBI_35230 3_STAR
CHEBI:35233 biolink:ChemicalSubstance tungsten coordination entity phenio.json tungsten coordination compounds|tungsten coordination entities|tungsten coordination entity http://purl.obolibrary.org/obo/CHEBI_35233 3_STAR
CHEBI:35235 biolink:ChemicalSubstance L-cysteine zwitterion Gmelin:49993 phenio.json (2R)-2-ammonio-3-mercaptopropanoate|(2R)-2-ammonio-3-sulfanylpropanoate|L-cysteine|L-cysteine zwitterion http://purl.obolibrary.org/obo/CHEBI_35235 3_STAR
CHEBI:35236 biolink:ChemicalSubstance D-cysteine zwitterion Gmelin:2352354 phenio.json (2S)-2-ammonio-3-mercaptopropanoate|(2S)-2-ammonio-3-sulfanylpropanoate|D-cysteine|D-cysteine zwitterion http://purl.obolibrary.org/obo/CHEBI_35236 3_STAR
CHEBI:35237 biolink:ChemicalSubstance cysteine zwitterion Gmelin:49992 phenio.json (+)H3N-CH(CH2SH)-COO(-)|2-ammonio-3-mercaptopropanoate|2-ammonio-3-sulfanylpropanoate|cysteine zwitterion http://purl.obolibrary.org/obo/CHEBI_35237 3_STAR
CHEBI:35238 biolink:ChemicalSubstance amino-acid zwitterion The zwitterionic form of an amino acid having a negatively charged carboxyl group and a positively charged amino group. phenio.json amino acid zwitterion|amino acid zwitterions|amino-acid zwitterions http://purl.obolibrary.org/obo/CHEBI_35238 3_STAR
CHEBI:35239 biolink:ChemicalSubstance ADP-sugar KEGG:C01469 phenio.json ADP-sugars http://purl.obolibrary.org/obo/CHEBI_35239 3_STAR
CHEBI:35240 biolink:ChemicalSubstance nucleotide-alditol phenio.json nucleotide-alditol|nucleotide-alditols http://purl.obolibrary.org/obo/CHEBI_35240 3_STAR
CHEBI:35241 biolink:ChemicalSubstance nucleotide-carbohydrate phenio.json nucleotide-carbohydrate|nucleotide-carbohydrates http://purl.obolibrary.org/obo/CHEBI_35241 3_STAR
CHEBI:35242 biolink:ChemicalSubstance CDP-D-glucose phenio.json cytidine 5'-[3-(D-glucopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_35242 3_STAR
CHEBI:35243 biolink:ChemicalSubstance serine zwitterion An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of serine. Beilstein:3935647|Gmelin:2060272 phenio.json 2-ammonio-3-hydroxypropanoate|serine zwitterion http://purl.obolibrary.org/obo/CHEBI_35243 3_STAR
CHEBI:35244 biolink:ChemicalSubstance nucleotide-oligosaccharide phenio.json nucleotide-oligosaccharide|nucleotide-oligosaccharides http://purl.obolibrary.org/obo/CHEBI_35244 3_STAR
CHEBI:35245 biolink:ChemicalSubstance GDP-galactose phenio.json guanosine 5'-(3-galactopyranosyl dihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_35245 3_STAR
CHEBI:35247 biolink:ChemicalSubstance D-serine zwitterion A serine zwitterion obtained by transfer of a proton from the carboxy to the amino group of D-serine. MetaCyc:D-SERINE phenio.json (2R)-2-ammonio-3-hydroxypropanoate|D-serine|D-serine zwitterion http://purl.obolibrary.org/obo/CHEBI_35247 3_STAR
CHEBI:35248 biolink:ChemicalSubstance dTDP-D-glucose phenio.json thymidine 5'-[3-(D-glucopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_35248 3_STAR
CHEBI:35251 biolink:ChemicalSubstance dTDP-mannose phenio.json thymidine 5'-(3-mannopyranosyl dihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_35251 3_STAR
CHEBI:35252 biolink:ChemicalSubstance dTDP-L-mannose phenio.json thymidine 5'-[3-(L-mannopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_35252 3_STAR
CHEBI:35253 biolink:ChemicalSubstance dTDP-talose phenio.json thymidine 5'-(3-talopyranosyl dihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_35253 3_STAR
CHEBI:35254 biolink:ChemicalSubstance dTDP-L-talose phenio.json thymidine 5'-[3-(L-talopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_35254 3_STAR
CHEBI:35255 biolink:ChemicalSubstance chloroform A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. CAS:67-66-3|Drug_Central:4363|Gmelin:1837|HMDB:HMDB0029596|KEGG:C13827|LINCS:LSM-37229|MetaCyc:CPD-843|PDBeChem:MCH|PMID:10379014|PMID:15583552|PMID:20051454|PMID:21850127|PMID:23093177|PMID:8476536|PMID:8625290|Reaxys:1731042|UM-BBD_compID:c0595|Wikipedia:Chloroform phenio.json 1,1,1-trichloromethane|CHCl3|Chloroform|Trichlormethan|chloroform|chloroforme|chloroformium pro narcosi|trichloromethane http://purl.obolibrary.org/obo/CHEBI_35255 3_STAR
CHEBI:35256 biolink:ChemicalSubstance nucleotide-glycopeptide phenio.json http://purl.obolibrary.org/obo/CHEBI_35256 1_STAR
CHEBI:35257 biolink:ChemicalSubstance UDP-glycopeptide phenio.json http://purl.obolibrary.org/obo/CHEBI_35257 1_STAR
CHEBI:35258 biolink:ChemicalSubstance glyco-amino acid phenio.json glyco-amino acid|glyco-amino acids http://purl.obolibrary.org/obo/CHEBI_35258 3_STAR
CHEBI:35259 biolink:ChemicalSubstance benzofurans phenio.json http://purl.obolibrary.org/obo/CHEBI_35259 3_STAR
CHEBI:35262 biolink:ChemicalSubstance UDP-amino sugar phenio.json UDP-amino sugar|UDP-amino sugars http://purl.obolibrary.org/obo/CHEBI_35262 3_STAR
CHEBI:35265 biolink:ChemicalSubstance N-phospho-D-lombricine KEGG:C02855 phenio.json N-Phospho-D-lombricine|O-[hydroxy(2-{[imino(phosphonoamino)methyl]amino}ethoxy)phosphoryl]-D-serine http://purl.obolibrary.org/obo/CHEBI_35265 3_STAR
CHEBI:35266 biolink:ChemicalSubstance L-2-succinylamino-6-oxoheptanedioic acid A tricarboxylic acid consisting of L-2-amino-6-oxoheptanedioic acid having a succinoyl group attached to the nitrogen. KEGG:C04462|KNApSAcK:C00007598|Reaxys:7935478 phenio.json (2S)-2-(3-carboxypropanamido)-6-oxoheptanedioic acid|N-Succinyl-2-amino-6-oxo-L-pimelic acid|N-Succinyl-epsilon-keto-L-aminopimelic acid http://purl.obolibrary.org/obo/CHEBI_35266 3_STAR
CHEBI:35267 biolink:ChemicalSubstance quaternary ammonium ion A derivative of ammonium, NH4(+), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups. KEGG:C06703 phenio.json Quaternary amine|a quaternary ammonium|quaternary ammonium ion|quaternary ammonium ions http://purl.obolibrary.org/obo/CHEBI_35267 3_STAR
CHEBI:35269 biolink:ChemicalSubstance N-glycosyl amino acid phenio.json N-glycosyl amino acid|N-glycosyl amino acids http://purl.obolibrary.org/obo/CHEBI_35269 3_STAR
CHEBI:35273 biolink:ChemicalSubstance quaternary ammonium salt Derivatives of ammonium compounds, (NH4(+))Y(-), in which all four of the hydrogens bonded to nitrogen have been replaced with univalent (usually organyl) groups. phenio.json quaternary ammonium compound|quaternary ammonium compounds|quaternary ammonium salt|quaternary ammonium salts http://purl.obolibrary.org/obo/CHEBI_35273 3_STAR
CHEBI:35274 biolink:ChemicalSubstance ammonium ion derivative A derivative of ammonium, NH4(+), in which one (or more) of the hydrogens bonded to the nitrogen have been replaced with univalent organyl groups. The substituting carbon of the organyl group must not itself be directly attached to a heteroatom (thereby excluding protonated amides, hemiaminals, etc). phenio.json ammonium ion derivatives|azanium ion derivative|azanium ion derivatives http://purl.obolibrary.org/obo/CHEBI_35274 3_STAR
CHEBI:35275 biolink:ChemicalSubstance S-glycosyl compound A glycosyl compound arising formally from the elimination of water from a glycosidic hydroxy group and a S atom bound to a carbon atom, thus creating a C-S bond. phenio.json S-glycoside|S-glycosides|S-glycosyl compound|S-glycosyl compounds|thioglycoside|thioglycosides http://purl.obolibrary.org/obo/CHEBI_35275 3_STAR
CHEBI:35276 biolink:ChemicalSubstance ammonium compound Compounds (NH4(+))Y(-) and derivatives, in which one or more of the hydrogens bonded to nitrogen have been replaced with univalent groups. phenio.json ammonium compounds|azanium compounds http://purl.obolibrary.org/obo/CHEBI_35276 3_STAR
CHEBI:3528 biolink:ChemicalSubstance cellotriose A glucotriose consisting of three DrugBank:DB01697|GlyGen:G41078PD|GlyTouCan:G41078PD|KEGG:C06219|KEGG:G00318|Reaxys:1443480 phenio.json Cellotriose|D-cellotriose|WURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2-2/a4-b1_b4-c1|beta-D-Glcp-(1->4)-beta-D-Glcp-(1->4)-D-Glc|beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-D-glucopyranose|beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-D-glucose http://purl.obolibrary.org/obo/CHEBI_3528 3_STAR
CHEBI:35280 biolink:ChemicalSubstance L-proline betaine An amino acid betaine that is L-proline zwitterion in which both of the hydrogens attached to the nitrogen are replaced by methyl groups. CAS:471-87-4|DrugBank:DB04284|HMDB:HMDB0004827|KEGG:C10172|KNApSAcK:C00002074|PDBeChem:PBE|PMID:22770225|PMID:24704554|PMID:25012968|Reaxys:3542403 phenio.json (2S)-1,1-dimethylpyrrolidinium-2-carboxylate|(S)-2-carboxylato-1,1-dimethylpyrrolidinium|L-proline betaine|N,N-dimethyl-L-proline|Stachydrine|proline betaine http://purl.obolibrary.org/obo/CHEBI_35280 3_STAR
CHEBI:35281 biolink:ChemicalSubstance onium betaine Neutral molecules having charge-separated forms with an onium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom. phenio.json betaines|onium betaines http://purl.obolibrary.org/obo/CHEBI_35281 3_STAR
CHEBI:35282 biolink:ChemicalSubstance sulfonium betaine Neutral molecules having charge-separated forms with an sulfonium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom. phenio.json sulfonium betaines http://purl.obolibrary.org/obo/CHEBI_35282 3_STAR
CHEBI:35284 biolink:ChemicalSubstance ammonium betaine Any neutral molecule having charge-separated forms with a quaternary ammonium atom which bears no hydrogen atoms and that is not adjacent to the anionic atom. phenio.json ammonium betaines http://purl.obolibrary.org/obo/CHEBI_35284 3_STAR
CHEBI:35285 biolink:ChemicalSubstance iminium betaine phenio.json iminium betaines http://purl.obolibrary.org/obo/CHEBI_35285 3_STAR
CHEBI:35286 biolink:ChemicalSubstance iminium ion Cations of structure R2C=N(+)R2. phenio.json iminium cations|iminium ion|iminium ions http://purl.obolibrary.org/obo/CHEBI_35286 3_STAR
CHEBI:35287 biolink:ChemicalSubstance acylcholine A choline ester formed from choline and a carboxylic acid. KEGG:C01777 phenio.json acylcholines|an acylcholine http://purl.obolibrary.org/obo/CHEBI_35287 3_STAR
CHEBI:35288 biolink:ChemicalSubstance all-trans-violaxanthin The all-trans-stereoisomer of violaxanthin. CAS:126-29-4|COMe:MOL000096|HMDB:HMDB0003101|KEGG:C08614|KNApSAcK:C00003787|LIPID_MAPS_instance:LMPR01070282|MetaCyc:CPD1F-133|PDBeChem:XAT|PMID:23820691|PMID:24032717|PMID:24506237|Reaxys:101269|Wikipedia:Violaxanthin phenio.json (3S,3'S,5R,5'R,6S,6'S)-5,5',6,6'-tetrahydro-5,6:5',6'-diepoxy-beta,beta-carotene-3,3'-diol|(3S,3'S,5R,5'R,6S,6'S)-5,6:5',6'-diepoxy-5,5',6,6'-tetrahydro-beta,beta-carotene-3,3'-diol|(3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL|E 161e|Violaxanthin|all-trans-Violaxanthin|all-trans-violaxanthin http://purl.obolibrary.org/obo/CHEBI_35288 3_STAR
CHEBI:35290 biolink:ChemicalSubstance 1,2-dichlorobenzene A dichlorobenzene carrying chloro substituents at positions 1 and 2. Beilstein:606078|CAS:95-50-1|Gmelin:82493|KEGG:C14328|MetaCyc:O-DICHLOROBENZENE|PDBeChem:YAN|PMID:10048141|PMID:10698672|PMID:14168435|PMID:15792297|PMID:22165224|Reaxys:606078|Wikipedia:1,2-Dichlorobenzene phenio.json 1,2-Dichlorobenzene|1,2-dichlorbenzene|1,2-dichlorobenzene|2-dichlorobenzene|ODB|ODCB|o-Dichlorobenzene|o-dichlorbenzene|o-dichlorbenzol|o-dichlorobenzol|ortho-dichlorobenzene|orthodichlorobenzol http://purl.obolibrary.org/obo/CHEBI_35290 3_STAR
CHEBI:35291 biolink:ChemicalSubstance all-trans-retinoate A retinoate that is the conjugate base of all-trans-retinoic acid. MetaCyc:RETINOATE phenio.json (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate|Retinoate|all-trans-Retinoate|all-trans-retinoate http://purl.obolibrary.org/obo/CHEBI_35291 3_STAR
CHEBI:35293 biolink:ChemicalSubstance fused compound A polycyclic compound that contains more than one ring with at least two common atoms (also known as bridgehead carbons) that are adjacent to each other. phenio.json fused compounds|fused polycyclic compounds|fused-ring polycyclic compound|fused-ring polycyclic compounds|polycyclic fused-ring compounds http://purl.obolibrary.org/obo/CHEBI_35293 3_STAR
CHEBI:35294 biolink:ChemicalSubstance carbopolycyclic compound A polyclic compound in which all of the ring members are carbon atoms. phenio.json carbopolycyclic compounds http://purl.obolibrary.org/obo/CHEBI_35294 3_STAR
CHEBI:35295 biolink:ChemicalSubstance homopolycyclic compound phenio.json homopolycyclic compounds http://purl.obolibrary.org/obo/CHEBI_35295 3_STAR
CHEBI:35296 biolink:ChemicalSubstance ortho-fused polycyclic arene phenio.json ortho-fused polycyclic arenes http://purl.obolibrary.org/obo/CHEBI_35296 3_STAR
CHEBI:35297 biolink:ChemicalSubstance acene A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement. Wikipedia:Acene phenio.json Acen|Azen|acene|acenes|polyacenes http://purl.obolibrary.org/obo/CHEBI_35297 3_STAR
CHEBI:35300 biolink:ChemicalSubstance ortho- and peri-fused polycyclic arene phenio.json ortho- and peri-fused polycyclic arenes http://purl.obolibrary.org/obo/CHEBI_35300 3_STAR
CHEBI:35306 biolink:ChemicalSubstance phenio.json http://purl.obolibrary.org/obo/CHEBI_35306
CHEBI:35307 biolink:ChemicalSubstance epoxycarotenol phenio.json epoxycarotenoid|epoxycarotenols http://purl.obolibrary.org/obo/CHEBI_35307 3_STAR
CHEBI:35310 biolink:ChemicalSubstance carotenone phenio.json carotenones|ketocarotenoids|oxocarotenoids http://purl.obolibrary.org/obo/CHEBI_35310 3_STAR
CHEBI:35312 biolink:ChemicalSubstance pentoside phenio.json pentoside|pentosides http://purl.obolibrary.org/obo/CHEBI_35312 3_STAR
CHEBI:35313 biolink:ChemicalSubstance hexoside phenio.json hexoside|hexosides http://purl.obolibrary.org/obo/CHEBI_35313 3_STAR
CHEBI:35314 biolink:ChemicalSubstance glycosiduronic acid phenio.json glycosiduronic acid|glycosiduronic acids http://purl.obolibrary.org/obo/CHEBI_35314 3_STAR
CHEBI:35315 biolink:ChemicalSubstance deoxy hexoside phenio.json deoxy hexoside|deoxy hexosides http://purl.obolibrary.org/obo/CHEBI_35315 3_STAR
CHEBI:35317 biolink:ChemicalSubstance glycosylgalactose A disaccharide which has a galactose residue at the reducing end. phenio.json http://purl.obolibrary.org/obo/CHEBI_35317 3_STAR
CHEBI:35318 biolink:ChemicalSubstance glycosylmannose A disaccharide having mannose at the reducing end with a glycosyl residue attached at an unspecified position via a glycosidic bond. phenio.json http://purl.obolibrary.org/obo/CHEBI_35318 3_STAR
CHEBI:35323 biolink:ChemicalSubstance N-substituted amine KEGG:C06375 phenio.json N-substituted amine|N-substituted amines|Substituted amine http://purl.obolibrary.org/obo/CHEBI_35323 3_STAR
CHEBI:35324 biolink:ChemicalSubstance hydrazinium(1+) Gmelin:183 phenio.json H2NNH3(+)|N2H5(+)|diazanium|hydrazinium http://purl.obolibrary.org/obo/CHEBI_35324 3_STAR
CHEBI:35325 biolink:ChemicalSubstance hydrazinium(2+) Gmelin:186 phenio.json H3NNH3(2+)|diazanediium|hydrazinediium http://purl.obolibrary.org/obo/CHEBI_35325 3_STAR
CHEBI:35329 biolink:ChemicalSubstance carotenoid ether phenio.json http://purl.obolibrary.org/obo/CHEBI_35329 1_STAR
CHEBI:3533 biolink:ChemicalSubstance cephaeline A pyridoisoquinoline comprising emetam having a hydroxy group at the 6'-position and methoxy substituents at the 7'-, 10- and 11-positions. CAS:483-17-0|KEGG:C09390|KNApSAcK:C00001835|LINCS:LSM-3808|PMID:11411558|PMID:11913711|PMID:11996324|PMID:12880315|PMID:13437707|PMID:18327911|PMID:20061395|PMID:20495341|PMID:21228475|PMID:2715231|PMID:6716976|Reaxys:100615 phenio.json 7',10,11-trimethoxyemetan-6'-ol|Cephaelin|Cephaeline http://purl.obolibrary.org/obo/CHEBI_3533 3_STAR
CHEBI:35330 biolink:ChemicalSubstance spheroidene The cartenoid ether that is the methyl ether of 3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-caroten-1-ol. CAS:13836-61-8|COMe:MOL000050|KEGG:C15900|KNApSAcK:C00000930|LIPID_MAPS_instance:LMPR01070119|PMID:17617552|PMID:19136077|PMID:21604722|PMID:2551387|PMID:2687022|PMID:4541982|PMID:4544066|PMID:8167135|Reaxys:1717788 phenio.json (6E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene|1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-psi,psi-carotene|3,4-didehydro-1,2,7',8'-tetrahydro-1-methoxy-psi,psi-carotene|all-trans-spheroidene|spheroidene http://purl.obolibrary.org/obo/CHEBI_35330 3_STAR
CHEBI:35331 biolink:ChemicalSubstance rhodopin A carotenol having the structure of 1,2-dihydro-psi,psi-carotene with a hydroxy function at C-1. Beilstein:1730253|CAS:105-92-0|KEGG:C19795|KNApSAcK:C00022854|LIPID_MAPS_instance:LMPR01070114|MetaCyc:CPD-11447|PMID:10880364|PMID:12745254|PMID:15251462|PMID:18339744|PMID:20495036|PMID:21590288|PMID:23416569|PMID:901799|Patent:CN101368191|Reaxys:1730252|Wikipedia:Rhodopin phenio.json (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,30-dodecaen-2-ol|1,2-dihydro-1-hydroxy-psi,psi-carotene|1,2-dihydro-1-hydroxylycopene|1,2-dihydro-psi,psi-caroten-1-ol|1-Hydroxylycopene|1-hydroxy-1,2-dihydrolycopene|1-hydroxylycopene|all-trans-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26,30-dodecaen-2-ol|rhodopin http://purl.obolibrary.org/obo/CHEBI_35331 3_STAR
CHEBI:35333 biolink:ChemicalSubstance 4-(4-deoxy-D-gluc-4-enosyluronic acid)-D-galacturonic acid phenio.json 4-O-(4-deoxy-L-threo-hex-4-enopyranosyluronic acid)-D-galactopyranuronic acid http://purl.obolibrary.org/obo/CHEBI_35333 3_STAR
CHEBI:35337 biolink:ChemicalSubstance central nervous system stimulant Any drug that enhances the activity of the central nervous system. Wikipedia:Central_nervous_system_stimulants phenio.json CNS stimulant|analeptic|analeptic agent|analeptic drug|analeptics|central nervous system stimulant|central stimulant http://purl.obolibrary.org/obo/CHEBI_35337 3_STAR
CHEBI:35338 biolink:ChemicalSubstance amphetamines Amines that constitute a class of central nervous system stimulants based on the structure of the parent amphetamine 1-phenylpropan-2-amine. phenio.json amphetamine drug http://purl.obolibrary.org/obo/CHEBI_35338 3_STAR
CHEBI:3534 biolink:ChemicalSubstance cephalexin A semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is effective against both Gram-negative and Gram-positive organisms, and is used for treatment of infections of the skin, respiratory tract and urinary tract. Beilstein:965503|CAS:15686-71-2|DrugBank:DB00567|Drug_Central:571|HMDB:HMDB0014707|KEGG:C06895|KEGG:D00263|LINCS:LSM-5957|PMID:10930630|PMID:12569987|PMID:12833570|PMID:1384868|PMID:2083978|PMID:22559990|PMID:23061564|PMID:23457080|PMID:23545436|PMID:23688276|PMID:23811740|PMID:24268227|PMID:24548092|PMID:29017833|Patent:US3275626|Patent:US3507861|Reaxys:4238892|VSDB:1791|Wikipedia:Cefalexin phenio.json (6R,7R)-7-{[(2R)-2-amino-2-phenylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-(D-alpha-Aminophenylacetamido)desacetoxycephalosporanic acid|7-beta-(D-alpha-Amino-alpha-phenylacetylamino)-3-methyl-3-cephem-4-carboxylic acid|7beta-[(2R)-2-amino-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid|CEX|Cefalexin|Celexin|Cepastar|Cepexin|Cephacillin|Ceporexin|cefalexina|cefalexine|cefalexinum http://purl.obolibrary.org/obo/CHEBI_3534 3_STAR
CHEBI:35341 biolink:ChemicalSubstance steroid Any of naturally occurring compounds and synthetic analogues, based on the cyclopenta[a]phenanthrene carbon skeleton, partially or completely hydrogenated; there are usually methyl groups at C-10 and C-13, and often an alkyl group at C-17. By extension, one or more bond scissions, ring expansions and/or ring contractions of the skeleton may have occurred. Natural steroids are derived biogenetically from squalene which is a triterpene. KEGG:C00377|MetaCyc:Steroids phenio.json Steroid|a steroid|steroids http://purl.obolibrary.org/obo/CHEBI_35341 3_STAR
CHEBI:35342 biolink:ChemicalSubstance 17alpha-hydroxy steroid The alpha-stereoisomer of 17-hydroxy steroid. KEGG:C03336 phenio.json 17-alpha-Hydroxysteroid|17alpha-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_35342 3_STAR
CHEBI:35343 biolink:ChemicalSubstance 17beta-hydroxy steroid A 17-hydroxy steroid in which the hydroxy group at position 17 has a beta-configuration. KEGG:C03051|MetaCyc:17-beta-Hydroxysteroids phenio.json 17beta-hydroxy steroids|17beta-hydroxysteroid|17beta-hydroxysteroids|a 17beta-hydroxy steroid http://purl.obolibrary.org/obo/CHEBI_35343 3_STAR
CHEBI:35344 biolink:ChemicalSubstance 21-hydroxy steroid KEGG:C02506 phenio.json 21-Hydroxysteroid|21-hydroxy steroids|21-hydroxysteroids http://purl.obolibrary.org/obo/CHEBI_35344 3_STAR
CHEBI:35346 biolink:ChemicalSubstance 11beta-hydroxy steroid Any 11-hydroxy steroid in which the hydroxy group at position 11 has beta- configuration. KEGG:C01058 phenio.json 11beta-Hydroxysteroid|11beta-hydroxy steroids|11beta-hydroxysteroids|an 11beta-hydroxysteroid http://purl.obolibrary.org/obo/CHEBI_35346 3_STAR
CHEBI:35348 biolink:ChemicalSubstance 3beta-sterol A sterol in which the hydroxy group at position 3 has beta- configuration. phenio.json 3beta-hydroxysteroids|3beta-sterols http://purl.obolibrary.org/obo/CHEBI_35348 3_STAR
CHEBI:35349 biolink:ChemicalSubstance 7beta-hydroxy steroid A 7-hydroxy steroid in which the hydroxy group at position 7 has beta-configuration. KEGG:C02956|MetaCyc:7-Beta-Hydroxysteroids phenio.json 7beta-Hydroxysteroid|7beta-hydroxy steroids|a 7beta-hydroxysteroid http://purl.obolibrary.org/obo/CHEBI_35349 3_STAR
CHEBI:35350 biolink:ChemicalSubstance hydroxy steroid KEGG:C02159 phenio.json Hydroxysteroid|hydroxy steroids|hydroxysteroids http://purl.obolibrary.org/obo/CHEBI_35350 3_STAR
CHEBI:35352 biolink:ChemicalSubstance organonitrogen compound Any heteroorganic entity containing at least one carbon-nitrogen bond. phenio.json organonitrogen compounds|organonitrogens http://purl.obolibrary.org/obo/CHEBI_35352 3_STAR
CHEBI:35353 biolink:ChemicalSubstance isocyanide The isomer HN(+)#C(-) of hydrocyanic acid, HC#N, and its hydrocarbyl derivatives RNC (RN(+)#C(-)). Wikipedia:Isocyanide phenio.json isocyanides|isonitrile|isonitriles http://purl.obolibrary.org/obo/CHEBI_35353 3_STAR
CHEBI:35356 biolink:ChemicalSubstance dicarboximide An imide in which the two acyl substituents on nitrogen are carboacyl groups. phenio.json dicarboximides http://purl.obolibrary.org/obo/CHEBI_35356 3_STAR
CHEBI:35358 biolink:ChemicalSubstance sulfonamide An amide of a sulfonic acid RS(=O)2NR'2. PMID:11498380|PMID:2434548|PMID:26811268|PMID:26832216|Wikipedia:Sulfonamide phenio.json sulfonamides http://purl.obolibrary.org/obo/CHEBI_35358 3_STAR
CHEBI:35359 biolink:ChemicalSubstance carboxamidine Compounds having the structure RC(=NR)NR2. The term is used as a suffix in systematic nomenclature to denote the -C(=NH)NH2 group including its carbon atom. KEGG:C06060 phenio.json Amidines|carboxamidines http://purl.obolibrary.org/obo/CHEBI_35359 3_STAR
CHEBI:35362 biolink:ChemicalSubstance hydrazide Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing -OH by -NRNR2 (R groups are commonly H). (IUPAC). phenio.json hydrazides http://purl.obolibrary.org/obo/CHEBI_35362 3_STAR
CHEBI:35363 biolink:ChemicalSubstance carbohydrazide A hydrazide consisting of hydrazine carrying one or more carboacyl groups. phenio.json carbohydrazides http://purl.obolibrary.org/obo/CHEBI_35363 3_STAR
CHEBI:35366 biolink:ChemicalSubstance fatty acid Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. Natural fatty acids commonly have a chain of 4 to 28 carbons (usually unbranched and even-numbered), which may be saturated or unsaturated. By extension, the term is sometimes used to embrace all acyclic aliphatic carboxylic acids. KEGG:C00162|PMID:14287444|PMID:14300208|PMID:14328676|Wikipedia:Fatty_acid phenio.json Fatty acid|Fettsaeure|Fettsaeuren|acide gras|acides gras|acido graso|acidos grasos|fatty acids http://purl.obolibrary.org/obo/CHEBI_35366 3_STAR
CHEBI:35367 biolink:ChemicalSubstance thiocarboxylic acid anion phenio.json thiocarboxylates|thiocarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35367 3_STAR
CHEBI:35368 biolink:ChemicalSubstance hexasaccharide An oligosaccharide comprising six monomeric monosaccharide units. phenio.json hexasaccharides http://purl.obolibrary.org/obo/CHEBI_35368 3_STAR
CHEBI:35369 biolink:ChemicalSubstance pentasaccharide An oligomer comprising five monomeric monosaccharide units. phenio.json pentasaccharides http://purl.obolibrary.org/obo/CHEBI_35369 3_STAR
CHEBI:3537 biolink:ChemicalSubstance cefaloridine A cephalosporin compound having pyridinium-1-ylmethyl and 2-thienylacetamido side-groups. A first-generation semisynthetic derivative of cephalosporin C. CAS:50-59-9|Drug_Central:573|KEGG:C11754|KEGG:D01075|PMID:12569987|PMID:14226120|PMID:2083978|PMID:29017833|PMID:4868829|PMID:5325246|PMID:5740219|PMID:724127|Reaxys:4166301|Wikipedia:Cephaloridine phenio.json (6R,7R)-8-oxo-3-(pyridinium-1-ylmethyl)-7-[(2-thienylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate|3-(pyridinium-1-ylmethyl)-7beta-[(2-thienylacetyl)amino]-3,4-didehydrocepham-4-carboxylate|7-((2-Thienyl)acetamido)-3-(1-pyridylmethyl)cephalosporanic acid|Cefaloridin|Cefalorizin|Ceflorin|Cepaloridin|Cepalorin|Cephaloridin|Cephaloridine|Cephaloridinum|N-(7-((2-Thienyl)acetamido)ceph-3-em-3-ylmethyl)pyridinium-4-carboxylate|N-(7-(2'-Thienylacetamidoceph-3-ylmethyl))-pyridinium-2-carboxylate|cefaloridina|cefaloridine|cefaloridinum http://purl.obolibrary.org/obo/CHEBI_3537 3_STAR
CHEBI:35371 biolink:ChemicalSubstance lipooligosaccharide KEGG:C19596 phenio.json LOS|lipooligosaccharides http://purl.obolibrary.org/obo/CHEBI_35371 3_STAR
CHEBI:35372 biolink:ChemicalSubstance D-fuconate The conjugate base of D-fuconic acid; major species at pH 7.3. Beilstein:6115580 phenio.json 6-deoxy-D-galactonate|D-fuconate http://purl.obolibrary.org/obo/CHEBI_35372 3_STAR
CHEBI:35373 biolink:ChemicalSubstance D-glucosaminide KEGG:C06023|KEGG:G10536 phenio.json D-Glucosaminide|D-glucosaminides http://purl.obolibrary.org/obo/CHEBI_35373 3_STAR
CHEBI:35374 biolink:ChemicalSubstance D-mannose 1-phosphate A mannose phosphate that is D-mannose carrying a phosphate group at position 1. CAS:27251-84-9|DrugBank:DB02867|ECMDB:ECMDB01436|HMDB:HMDB0006330|KEGG:C00636|KNApSAcK:C00007389|PMID:23281814|Wikipedia:Mannose_1-phosphate|YMDB:YMDB00386 phenio.json D-Mannose 1-phosphate|D-mannopyranose 1-(dihydrogen phosphate)|D-mannose 1-phosphates|Mannose 1-phosphate http://purl.obolibrary.org/obo/CHEBI_35374 3_STAR
CHEBI:35375 biolink:ChemicalSubstance alditol 6-phosphate KEGG:C02810 phenio.json Alditol 6-phosphate|alditol 6-phosphates http://purl.obolibrary.org/obo/CHEBI_35375 3_STAR
CHEBI:35378 biolink:ChemicalSubstance glycosylfructose phenio.json glycosylfructoses http://purl.obolibrary.org/obo/CHEBI_35378 3_STAR
CHEBI:35381 biolink:ChemicalSubstance monosaccharide Parent monosaccharides are polyhydroxy aldehydes H[CH(OH)]nC(=O)H or polyhydroxy ketones H-[CHOH]n-C(=O)[CHOH]m-H with three or more carbon atoms. The generic term 'monosaccharide' (as opposed to oligosaccharide or polysaccharide) denotes a single unit, without glycosidic connection to other such units. It includes aldoses, dialdoses, aldoketoses, ketoses and diketoses, as well as deoxy sugars, provided that the parent compound has a (potential) carbonyl group. KEGG:C06698 phenio.json Monosaccharid|Monosaccharide|Monosacharid|monosacarido|monosacaridos|monosaccharides http://purl.obolibrary.org/obo/CHEBI_35381 3_STAR
CHEBI:35389 biolink:ChemicalSubstance altrarate(1-) phenio.json hydrogen altrarate|talarate|talarate(1-) http://purl.obolibrary.org/obo/CHEBI_35389 3_STAR
CHEBI:35390 biolink:ChemicalSubstance galactarate(1-) A dicarboxylic acid monoanion that is the conjugate base of galactaric acid. phenio.json (2R,3S,4R,5S)-5-carboxy-2,3,4,5-tetrahydroxypentanoate|hydrogen meso-galactarate http://purl.obolibrary.org/obo/CHEBI_35390 3_STAR
CHEBI:35391 biolink:ChemicalSubstance aspartate(1-) An alpha-amino-acid anion that is the conjugate base of aspartic acid. phenio.json 2-ammoniobutanedioate|2-ammoniosuccinate|aspartate(1-)|aspartic acid monoanion|hydrogen aspartate http://purl.obolibrary.org/obo/CHEBI_35391 3_STAR
CHEBI:35392 biolink:ChemicalSubstance glucarate(1-) phenio.json hydrogen glucarate|saccharate|saccharate(1-) http://purl.obolibrary.org/obo/CHEBI_35392 3_STAR
CHEBI:35397 biolink:ChemicalSubstance DL-tartrate(1-) A racemate comprising equimolar amounts of D- and L-tartrate(1-). phenio.json rac-(2R,3R)-3-carboxy-2,3-dihydroxypropanoate http://purl.obolibrary.org/obo/CHEBI_35397 3_STAR
CHEBI:35398 biolink:ChemicalSubstance L-tartrate(1-) phenio.json (2R,3R)-3-carboxy-2,3-dihydroxypropanoate http://purl.obolibrary.org/obo/CHEBI_35398 3_STAR
CHEBI:35399 biolink:ChemicalSubstance D-tartrate(1-) Beilstein:3905888|Gmelin:326915 phenio.json (2S,3S)-3-carboxy-2,3-dihydroxypropanoate http://purl.obolibrary.org/obo/CHEBI_35399 3_STAR
CHEBI:3540 biolink:ChemicalSubstance cephalotaxine A benzazepine alkaloid isolated from Cephalotaxus harringtonia. CAS:24316-19-6|KEGG:C10580|KNApSAcK:C00002324|KNApSAcK:C00027319|Reaxys:628324 phenio.json (-)-Cephalotaxine|(1S,3aR,14bS)-2-methoxy-1,5,6,8,9,14b-hexahydro-4H-cyclopenta[a][1,3]dioxolo[4,5-h]pyrrolo[2,1-b][3]benzazepin-1-ol|Cephalotaxine|cephalotaxine http://purl.obolibrary.org/obo/CHEBI_3540 3_STAR
CHEBI:35400 biolink:ChemicalSubstance meso-tartrate(1-) phenio.json hydrogen (2R,3S)-2,3-dihydroxybutanedioate|meso-tartaric acid monoanion|rel-(2R,3S)-3-carboxy-2,3-dihydroxypropanoate http://purl.obolibrary.org/obo/CHEBI_35400 3_STAR
CHEBI:35401 biolink:ChemicalSubstance chromium oxoacid phenio.json chromium oxoacid|chromium oxoacids|oxoacids of chromium http://purl.obolibrary.org/obo/CHEBI_35401 3_STAR
CHEBI:35402 biolink:ChemicalSubstance chromium oxoanion phenio.json chromium oxoanion|chromium oxoanions|oxoanions of chromium http://purl.obolibrary.org/obo/CHEBI_35402 3_STAR
CHEBI:35403 biolink:ChemicalSubstance chromium coordination entity phenio.json chromium coordination compounds|chromium coordination entities http://purl.obolibrary.org/obo/CHEBI_35403 3_STAR
CHEBI:35404 biolink:ChemicalSubstance chromate(2-) A chromium oxoanion resulting from the removal of two protons from chromic acid. CAS:11104-59-9|CAS:13907-45-4|Gmelin:2047|MetaCyc:CPD-4422|MolBase:125|PMID:21804974|PMID:22805940|PMID:23430150|UM-BBD_compID:c0803|Wikipedia:Chromate_and_dichromate phenio.json CrO4(2-)|[CrO4](2-)|chromate|chromate(VI)|tetraoxidochromate(2-)|tetraoxidochromate(VI)|tetraoxochromate(2-)|tetraoxochromate(VI) http://purl.obolibrary.org/obo/CHEBI_35404 3_STAR
CHEBI:35405 biolink:ChemicalSubstance transition element oxoanion phenio.json transition element oxoanions|transition metal oxoanion|transition metal oxoanions http://purl.obolibrary.org/obo/CHEBI_35405 3_STAR
CHEBI:35406 biolink:ChemicalSubstance oxoanion An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen. phenio.json oxoacid anions|oxoanion|oxoanions http://purl.obolibrary.org/obo/CHEBI_35406 3_STAR
CHEBI:35407 biolink:ChemicalSubstance chromium halide phenio.json chromium halide|chromium halides http://purl.obolibrary.org/obo/CHEBI_35407 3_STAR
CHEBI:35410 biolink:ChemicalSubstance primary diamine A primary diamine is a compound derived from a hydrocarbon by replacing two hydrogen atoms by amino groups. KEGG:C02311 phenio.json Primary diamine|primary diamines http://purl.obolibrary.org/obo/CHEBI_35410 3_STAR
CHEBI:35411 biolink:ChemicalSubstance alkane-alpha,omega-diamine A primary diamine that is ethane or a higher alkane in which a hydrogen of each of the terminal methyl groups has been replaced by an amino group. H2NCH2(CH2)nCH2NH2, where n = 0, 1, 2, etc. KEGG:C02896|KEGG:C03687 phenio.json Alkane-alpha,omega-diamine|alkane-alpha,omega-diamines|alpha,omega-Diamine http://purl.obolibrary.org/obo/CHEBI_35411 3_STAR
CHEBI:35412 biolink:ChemicalSubstance aminal Compounds having two amino groups bonded to the same carbon, R2C(NR2)2. phenio.json aminals|geminal diamines http://purl.obolibrary.org/obo/CHEBI_35412 3_STAR
CHEBI:35414 biolink:ChemicalSubstance N-monoacetylalkane-alpha,omega-diamine An acetamide obtained by acetylation of one of the amino groups of any alkane-alpha,omega-diamine. AcNHCH2(CH2)nCH2NH2, where n = 0, 1, 2, etc. KEGG:C02297 phenio.json N-Acetyldiamine|N-acetyldiamines|N-monoacetylalkane-alpha,omega-diamines http://purl.obolibrary.org/obo/CHEBI_35414 3_STAR
CHEBI:35415 biolink:ChemicalSubstance alpha-amino-acid residue cation Any alpha-amino-acid residue that is positively charged. phenio.json alpha-amino-acid residue cations http://purl.obolibrary.org/obo/CHEBI_35415 3_STAR
CHEBI:35416 biolink:ChemicalSubstance alpha-amino-acid residue anion phenio.json alpha-amino-acid residue anions http://purl.obolibrary.org/obo/CHEBI_35416 3_STAR
CHEBI:35417 biolink:ChemicalSubstance alpha-amino-acid residue radical phenio.json alpha-amino-acid residue radicals http://purl.obolibrary.org/obo/CHEBI_35417 3_STAR
CHEBI:35418 biolink:ChemicalSubstance N-acetylneuraminate A ketoaldonate that is the conjugate base of N-acetylneuraminic acid, obtained by deprotonation of the carboxy group. MetaCyc:N-ACETYLNEURAMINATE|Reaxys:9227329 phenio.json 5-acetamido-3,5-dideoxy-D-galacto-non-2-ulopyranosonate|N-acetylneuraminate|sialate http://purl.obolibrary.org/obo/CHEBI_35418 3_STAR
CHEBI:35419 biolink:ChemicalSubstance 26-hydroxycholesterol 3-sulfate phenio.json 26-hydroxycholest-5-en-3beta-yl hydrogen sulfate http://purl.obolibrary.org/obo/CHEBI_35419 3_STAR
CHEBI:35420 biolink:ChemicalSubstance pregnenolone sulfate Beilstein:2632294|CAS:1247-64-9|KEGG:C18044|PMID:20797618 phenio.json (3beta)-3-(sulfooxy)pregn-5-en-20-one|20-oxopregn-5-en-3beta-yl hydrogen sulfate|5-pregnen-3beta-ol-20-one sulfate|Pregnenolone sulfate|pregnenolone sulfate http://purl.obolibrary.org/obo/CHEBI_35420 3_STAR
CHEBI:35421 biolink:ChemicalSubstance lithocholic acid sulfate A steroid sulfate that is lithocholic acid in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group. CAS:34669-57-3 phenio.json (3alpha,5beta)-3-(sulfooxy)cholan-24-oic acid|3alpha-sulfooxy-5beta-cholan-24-oic acid|lithocholic acid 3-sulfate|sulfolithocholic acid http://purl.obolibrary.org/obo/CHEBI_35421 3_STAR
CHEBI:35422 biolink:ChemicalSubstance 4-nitrophenyl hydrogen sulfate An aryl sulfate the mono 4-nitrophenyl ester of sulfuric acid. CAS:1080-04-2 phenio.json 4-nitrophenyl hydrogen sulfate|4-nitrophenyl sulfate|p-nitrophenol sulfate|p-nitrophenyl sulfate|para-nitrophenyl sulfate|sulfuric acid mono(4-nitrophenyl) ester http://purl.obolibrary.org/obo/CHEBI_35422 3_STAR
CHEBI:35423 biolink:ChemicalSubstance L-arabinose 1-phosphate KEGG:C06238 phenio.json L-Arabinose 1-phosphate|L-arabinose 1-phosphates http://purl.obolibrary.org/obo/CHEBI_35423 3_STAR
CHEBI:35424 biolink:ChemicalSubstance 2-acetamidofluorene N-sulfate Beilstein:6874094|CAS:16808-85-8 phenio.json 2-acetylaminofluorene N-sulfate|2-acetylaminofluorene-N-sulfate|N-(9H-fluoren-2-yl)-N-(sulfooxy)acetamide|N-(9H-fluoren-2-yl)-N-acetylhydroxylamine-O-sulfonic acid|N-(sulfoxy)-2-fluorenylacetamide|N-sulfonyloxy-2-acetylaminofluorene http://purl.obolibrary.org/obo/CHEBI_35424 3_STAR
CHEBI:35425 biolink:ChemicalSubstance D-ribose 1-phosphate A ribose monophosphate that is D-ribose substituted at position 1 by a phosphate group. PMID:22770225|Reaxys:3549018 phenio.json 1-O-phosphono-D-ribofuranose|D-Ribose 1-phosphate|D-ribofuranose 1-(dihydrogen phosphate)|D-ribose 1-phosphates http://purl.obolibrary.org/obo/CHEBI_35425 3_STAR
CHEBI:35426 biolink:ChemicalSubstance ortho-fused bicyclic arene phenio.json ortho-fused bicyclic arene|ortho-fused bicyclic arenes http://purl.obolibrary.org/obo/CHEBI_35426 3_STAR
CHEBI:35427 biolink:ChemicalSubstance ortho-fused polycyclic hydrocarbon phenio.json ortho-fused polycyclic hydrocarbon|ortho-fused polycyclic hydrocarbons http://purl.obolibrary.org/obo/CHEBI_35427 3_STAR
CHEBI:35428 biolink:ChemicalSubstance ortho-fused bicyclic hydrocarbon phenio.json ortho-fused bicyclic hydrocarbon|ortho-fused bicyclic hydrocarbons http://purl.obolibrary.org/obo/CHEBI_35428 3_STAR
CHEBI:3543 biolink:ChemicalSubstance cephamycin C One of three naturally occurring cephamycin antibiotics, differing from the A and B forms in its carbamoyloxymethyl substituent at C-3. Beilstein:5406186|CAS:38429-35-5|KEGG:C06566|PMID:7419473 phenio.json (6R,7S)-3-[[(aminocarbonyl)oxy]methyl]-7alpha-[[(R)-5-amino-5-carboxy-1-oxopentyl]amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|3-[(carbamoyloxy)methyl]-7alpha-methoxy-7beta-[(5R)-5-amino-5-carboxypentanamido]-3,4-didehydrocepham-4-carboxylic acid|7-[(5-amino-5-carboxypentanoyl)amino]-3-[(carbamoyloxy)methyl]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|A 16886B|A-16886B|A16886B|Cephamycin C|antibiotic 842A|antibiotic A-16886B|antibiotic A-16886I|antibiotic WS-3442C|cephemimycin http://purl.obolibrary.org/obo/CHEBI_3543 3_STAR
CHEBI:35430 biolink:ChemicalSubstance 3,3'-diiodothyronine Beilstein:2674477|CAS:70-40-6 phenio.json 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodophenyl]propanoic acid|3,3'-T2|3,3'-diiodothyronine|O-(4-hydroxy-3-iodophenyl)-3-iodotyrosine http://purl.obolibrary.org/obo/CHEBI_35430 3_STAR
CHEBI:35431 biolink:ChemicalSubstance 3,3'-diiodo-L-thyronine sulfate Beilstein:8167585|CAS:64192-57-0 phenio.json 3,3'-T2 sulfate|3,3'-T2S|3,3'-diiodothyronine-4-sulfate|3-iodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine http://purl.obolibrary.org/obo/CHEBI_35431 3_STAR
CHEBI:35432 biolink:ChemicalSubstance 3,3',5-triiodo-L-thyronine sulfate Beilstein:8171387|CAS:31135-55-4 phenio.json (2S)-2-amino-3-{3,5-diiodo-4-[3-iodo-4-(sulfooxy)phenoxy]phenyl}propanoic acid|3,5-diiodo-O-[3-iodo-4-(sulfooxy)phenyl]-L-tyrosine|triiodothyronine sulfate|triiodothyronine sulfuric ester http://purl.obolibrary.org/obo/CHEBI_35432 3_STAR
CHEBI:35436 biolink:ChemicalSubstance D-glucoside Any glucoside in which the glycoside group is derived from D-glucose. KEGG:C01798 phenio.json D-Glucoside|D-glucosides|a D-glucoside http://purl.obolibrary.org/obo/CHEBI_35436 3_STAR
CHEBI:35438 biolink:ChemicalSubstance nickel coordination entity phenio.json nickel coordination compounds|nickel coordination entities|nickel coordination entity http://purl.obolibrary.org/obo/CHEBI_35438 3_STAR
CHEBI:35440 biolink:ChemicalSubstance (1R,2S)-3-phenylcyclohexa-3,5-diene-1,2-diol Beilstein:10868848 phenio.json (1R,2S)-3-phenylcyclohexa-3,5-diene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_35440 3_STAR
CHEBI:35441 biolink:ChemicalSubstance antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases. phenio.json anti-infective agents|anti-infective drugs|antiinfective agents|antiinfective drug http://purl.obolibrary.org/obo/CHEBI_35441 3_STAR
CHEBI:35442 biolink:ChemicalSubstance antiparasitic agent A substance used to treat or prevent parasitic infections. Wikipedia:Antiparasitic phenio.json antiparasitic drugs|antiparasitics|parasiticides http://purl.obolibrary.org/obo/CHEBI_35442 3_STAR
CHEBI:35443 biolink:ChemicalSubstance anthelminthic drug Substance intended to kill parasitic worms (helminths). phenio.json anthelminthic|anthelminthics|anthelmintic|anthelmintics|antihelminth|antihelmintico|vermifuge http://purl.obolibrary.org/obo/CHEBI_35443 3_STAR
CHEBI:35444 biolink:ChemicalSubstance antinematodal drug A substance used in the treatment or control of nematode infestations. phenio.json antinematodal agent|antinematodal drugs|antinematodals http://purl.obolibrary.org/obo/CHEBI_35444 3_STAR
CHEBI:35446 biolink:ChemicalSubstance chlorobiphenyl A chloroarene that consists of a biphenyl skeleton substituted by one or more chloro groups. phenio.json chlorobiphenyls http://purl.obolibrary.org/obo/CHEBI_35446 3_STAR
CHEBI:35452 biolink:ChemicalSubstance dTDP-L-rhamnose phenio.json Dtdp-L-rhamnose|Thymidine 5'-(trihydrogen diphosphate), P'-(6-deoxy-beta-L-mannopyranosyl) ester|Thymidine diphosphate rhamnose|Thymidine diphosphate-L-rhamnose|thymidine 5'-[3-(6-deoxy-L-mannopyranosyl) dihydrogen diphosphate] http://purl.obolibrary.org/obo/CHEBI_35452 3_STAR
CHEBI:35453 biolink:ChemicalSubstance 5-dehydro-4-deoxy-D-glucarate(1-) A dicarboxylic acid monoanion obtained by removal of a proton from one of the carboxylic acid groups of 5-dehydro-4-deoxy-D-glucaric acid. phenio.json hydrogen 3-deoxy-L-threo-hex-2-ulosarate http://purl.obolibrary.org/obo/CHEBI_35453 3_STAR
CHEBI:35456 biolink:ChemicalSubstance cadmium dichloride A cadmium coordination entity in which cadmium(2+) and Cl(-) ions are present in the ratio 2:1. Although considered to be ionic, it has considerable covalent character to its bonding. CAS:10108-64-2|Gmelin:912918|KEGG:C15233|LINCS:LSM-37028|MolBase:1667|PMID:23804459|PMID:25042713|PMID:25509961|PMID:25717432|Wikipedia:Cadmium_chloride phenio.json Caddy|CdCl2|Dichlorocadmium|Kadmiumchlorid|[CdCl2]|cadmium chloride|cadmium dichloride|cadmium(2+) chloride|cadmium(II) chloride http://purl.obolibrary.org/obo/CHEBI_35456 3_STAR
CHEBI:35457 biolink:ChemicalSubstance EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor An EC 3.4.15.* (peptidyl-dipeptidase) inhibitor that interferes with the action of peptidyl-dipeptidase A (EC 3.4.15.1). Wikipedia:ACE_inhibitor phenio.json ACE inhibitor|ACE inhibitors|DCP inhibitor|DCP inhibitors|EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitors|EC 3.4.15.1 inhibitor|EC 3.4.15.1 inhibitors|PDH inhibitor|PDH inhibitors|angiotensin I-converting enzyme inhibitor|angiotensin I-converting enzyme inhibitors|angiotensin-converting enzyme inhibitor|angiotensin-converting enzyme inhibitors|carboxycathepsin inhibitor|carboxycathepsin inhibitors|dipeptidase inhibitor|dipeptidase inhibitors|dipeptide hydrolase inhibitor|dipeptide hydrolase inhibitors|dipeptidyl carboxypeptidase I inhibitor|dipeptidyl carboxypeptidase I inhibitors|dipeptidyl carboxypeptidase inhibitor|dipeptidyl carboxypeptidase inhibitors|endothelial cell peptidyl dipeptidase inhibitor|endothelial cell peptidyl dipeptidase inhibitors|kininase II inhibitor|kininase II inhibitors|peptidase P inhibitor|peptidase P inhibitors|peptidyl dipeptidase A inhibitor|peptidyl dipeptidase A inhibitors|peptidyl dipeptidase I inhibitor|peptidyl dipeptidase I inhibitors|peptidyl dipeptidase-4 inhibitor|peptidyl dipeptidase-4 inhibitors|peptidyl dipeptide hydrolase inhibitor|peptidyl dipeptide hydrolase inhibitors|peptidyl-dipeptidase A (EC 3.4.15.1) inhibitor|peptidyl-dipeptidase A (EC 3.4.15.1) inhibitors|peptidyl-dipeptidase A inhibitor|peptidyl-dipeptidase A inhibitors|peptidyl-dipeptide hydrolase inhibitor|peptidyl-dipeptide hydrolase inhibitors|peptidyldipeptide hydrolase inhibitor|peptidyldipeptide hydrolase inhibitors http://purl.obolibrary.org/obo/CHEBI_35457 3_STAR
CHEBI:3546 biolink:ChemicalSubstance cepharanthine A bisbenzylisoquinoline alkaloid from tubers of Stephania; stimulates recovery of immunologic function in lymphatic system after administration of antineoplastic agents or x-irradiation. CAS:481-49-2|KEGG:C09391|KEGG:D01035|KNApSAcK:C00001836|PMID:26703475|Reaxys:75231 phenio.json (+)-Cepharanthine|(14S,27R)-22,33-dimethoxy-13,28-dimethyl-2,5,7,20-tetraoxa-13,28-diazaoctacyclo[25.6.2.2(16,19).1(3,10).1(21,25).0(4,8).0(14,39).0(31,35)]nonatriaconta-1(33),3,8,10(39),16,18,21(36),22,24,31,34,37-dodecaene|6',12'-Dimethoxy-2,2'-dimethyl-6,7-(methylenebis(oxy))oxyacanthan|Cepharanthine http://purl.obolibrary.org/obo/CHEBI_3546 3_STAR
CHEBI:35467 biolink:ChemicalSubstance phosphorodiamide phenio.json http://purl.obolibrary.org/obo/CHEBI_35467 3_STAR
CHEBI:35468 biolink:ChemicalSubstance triazene CAS:15056-34-5|Gmelin:49028 phenio.json 1-triazene|triaz-1-ene|triazene http://purl.obolibrary.org/obo/CHEBI_35468 3_STAR
CHEBI:35469 biolink:ChemicalSubstance antidepressant Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. phenio.json antidepressant drugs|antidepressants|thymoanaleptics|thymoleptic drugs|thymoleptics http://purl.obolibrary.org/obo/CHEBI_35469 3_STAR
CHEBI:3547 biolink:ChemicalSubstance cephradine A first-generation cephalosporin antibiotic with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem skeleton. CAS:38821-53-3|DrugBank:DB01333|Drug_Central:576|HMDB:HMDB0015428|KEGG:D00264|PMID:20188984|PMID:2083978|PMID:22305202|PMID:24035952|PMID:29017833|PMID:9131470|Reaxys:4211105|Wikipedia:Cephradine phenio.json (6R,7R)-7-((R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetamido)-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid|(6R,7R)-7-{[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino}-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7-(D-2-Amino-2-(1,4-cyclohexadienyl)acetamide)desacetoxycephalosporanicacid|7beta-[(2R)-2-(cyclohexa-1,4-dienyl)-2-phenylacetamido]-3-methyl-3,4-didehydrocepham-4-carboxylic acid|Anspor|CED|Cefradine|Cephradin|Cephradine|Eskacef|Sefril|Velosef|cefradina|cefradine|cefradinum http://purl.obolibrary.org/obo/CHEBI_3547 3_STAR
CHEBI:35470 biolink:ChemicalSubstance central nervous system drug A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system. phenio.json CNS agent|CNS drugs|central nervous system agents http://purl.obolibrary.org/obo/CHEBI_35470 3_STAR
CHEBI:35471 biolink:ChemicalSubstance psychotropic drug A loosely defined grouping of drugs that have effects on psychological function. Wikipedia:Psychotropic_drug phenio.json psychoactive agent|psychoactive drugs|psychopharmaceuticals|psychotropic drugs http://purl.obolibrary.org/obo/CHEBI_35471 3_STAR
CHEBI:35472 biolink:ChemicalSubstance anti-inflammatory drug A substance that reduces or suppresses inflammation. phenio.json anti-inflammatory drugs|antiinflammatory agent|antiinflammatory drug|antiinflammatory drugs http://purl.obolibrary.org/obo/CHEBI_35472 3_STAR
CHEBI:35473 biolink:ChemicalSubstance tranquilizing drug A traditional grouping of drugs said to have a soothing or calming effect on mood, thought or behaviour. phenio.json ataractics|tranquilising drug|tranquilizing drugs|tranquillising agent|tranquillizing agents http://purl.obolibrary.org/obo/CHEBI_35473 3_STAR
CHEBI:35474 biolink:ChemicalSubstance anxiolytic drug Anxiolytic drugs are agents that alleviate anxiety, tension, and anxiety disorders, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. phenio.json anti-anxiety agents|anti-anxiety drugs|anxiolytic agents|anxiolytics|minor tranquilisers|minor tranquilizers|minor tranquilizing agents http://purl.obolibrary.org/obo/CHEBI_35474 3_STAR
CHEBI:35475 biolink:ChemicalSubstance non-steroidal anti-inflammatory drug An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Wikipedia:Non-steroidal_anti-inflammatory_drug phenio.json NSAID|NSAIDs|non-steroidal anti-inflammatory agent|non-steroidal anti-inflammatory drugs http://purl.obolibrary.org/obo/CHEBI_35475 3_STAR
CHEBI:35476 biolink:ChemicalSubstance antipsychotic agent Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. phenio.json Neuroleptikum|antipsychotic agents|antipsychotic drug|antipsychotic drugs|antipsychotics|antipsychotiques|grosser Tranquilizer|major tranquilizers|major tranquilizing agents|neuroleptic|neuroleptic agents|neuroleptics|neuroleptique|neuroleptiques http://purl.obolibrary.org/obo/CHEBI_35476 3_STAR
CHEBI:35477 biolink:ChemicalSubstance antimanic drug Antimanic drugs are agents used to treat bipolar disorders or mania associated with other affective disorders. phenio.json antimanic agent|antimanic drugs|antimanics http://purl.obolibrary.org/obo/CHEBI_35477 3_STAR
CHEBI:35478 biolink:ChemicalSubstance lithium salt phenio.json Lithiumsalz|Lithiumsalze|lithium salts http://purl.obolibrary.org/obo/CHEBI_35478 3_STAR
CHEBI:35479 biolink:ChemicalSubstance alkali metal salt phenio.json alkali metal salts http://purl.obolibrary.org/obo/CHEBI_35479 3_STAR
CHEBI:35480 biolink:ChemicalSubstance analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. phenio.json http://purl.obolibrary.org/obo/CHEBI_35480 3_STAR
CHEBI:35481 biolink:ChemicalSubstance non-narcotic analgesic A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. phenio.json http://purl.obolibrary.org/obo/CHEBI_35481 3_STAR
CHEBI:35482 biolink:ChemicalSubstance opioid analgesic A narcotic or opioid substance, synthetic or semisynthetic agent producing profound analgesia, drowsiness, and changes in mood. phenio.json narcotic|narcotic analgesic|narcotic analgesics|narcotics|opioid analgesics http://purl.obolibrary.org/obo/CHEBI_35482 3_STAR
CHEBI:35484 biolink:ChemicalSubstance phthalate ester phenio.json phthalate esters http://purl.obolibrary.org/obo/CHEBI_35484 3_STAR
CHEBI:35486 biolink:ChemicalSubstance maleate ester Compounds of the general formula ROOC-CH=CH-COOR' where R and R' are organyl groups phenio.json maleate esters http://purl.obolibrary.org/obo/CHEBI_35486 3_STAR
CHEBI:35487 biolink:ChemicalSubstance EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor An EC 1.2.1.* (oxidoreductase acting on donor aldehyde/oxo group with NAD(+) or NADP(+) as acceptor) inhibitor that interferes with the action of aldehyde dehydrogenase (NAD(+)), EC 1.2.1.3. Wikipedia:Aldehyde_dehydrogenase phenio.json CoA-independent aldehyde dehydrogenase inhibitor|CoA-independent aldehyde dehydrogenase inhibitors|EC 1.2.1.3 (aldehyde dehydrogenase (NAD(+))) inhibitor|EC 1.2.1.3 (aldehyde dehydrogenase (NAD(+))) inhibitors|EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitors|EC 1.2.1.3 inhibitor|EC 1.2.1.3 inhibitors|NAD-aldehyde dehydrogenase inhibitor|NAD-aldehyde dehydrogenase inhibitors|NAD-dependent 4-hydroxynonenal dehydrogenase inhibitor|NAD-dependent 4-hydroxynonenal dehydrogenase inhibitors|NAD-dependent aldehyde dehydrogenase inhibitor|NAD-dependent aldehyde dehydrogenase inhibitors|NAD-linked aldehyde dehydrogenase inhibitor|NAD-linked aldehyde dehydrogenase inhibitors|aldehyde dehydrogenase (NAD(+)) (EC 1.2.1.3) inhibitor|aldehyde dehydrogenase (NAD(+)) (EC 1.2.1.3) inhibitors|aldehyde dehydrogenase (NAD(+)) inhibitor|aldehyde dehydrogenase (NAD(+)) inhibitors|aldehyde dehydrogenase (NAD) inhibitor|aldehyde dehydrogenase (NAD) inhibitors|aldehyde dehydrogenase inhibitor|aldehyde dehydrogenase inhibitors|m-methylbenzaldehyde dehydrogenase inhibitor|m-methylbenzaldehyde dehydrogenase inhibitors|propionaldehyde dehydrogenase inhibitor|propionaldehyde dehydrogenase inhibitors http://purl.obolibrary.org/obo/CHEBI_35487 3_STAR
CHEBI:35488 biolink:ChemicalSubstance central nervous system depressant A loosely defined group of drugs that tend to reduce the activity of the central nervous system. phenio.json CNS depressants|central nervous system depressants http://purl.obolibrary.org/obo/CHEBI_35488 3_STAR
CHEBI:35489 biolink:ChemicalSubstance organic disulfide Compounds of structure RSSR in which R and R' are organic groups. phenio.json an organic disulfide|disulfides|organic disulfides http://purl.obolibrary.org/obo/CHEBI_35489 3_STAR
CHEBI:35490 biolink:ChemicalSubstance trypanothione disulfide An organic disulfide resulting from the formal oxidative coupling of the thiol groups of N(1),N(8)-bis(glutathionyl)-spermidine from the insect-parasitic trypanosomatid Crithidia fasciculata. Beilstein:3645155|CAS:96304-42-6|KEGG:C03170|PDBeChem:TS2 phenio.json (2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid)|2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID|Oxidized trypanothione|TSST|Trypanothiondisulfid|Trypanothione disulfide http://purl.obolibrary.org/obo/CHEBI_35490 3_STAR
CHEBI:35491 biolink:ChemicalSubstance L-cystine zwitterion Beilstein:1888247|Gmelin:51008 phenio.json (2R,2'R)-3,3'-disulfanediylbis(2-ammoniopropanoate)|(2R,2'R)-3,3'-dithiobis(2-ammoniopropanoate)|L-cystine http://purl.obolibrary.org/obo/CHEBI_35491 3_STAR
CHEBI:35492 biolink:ChemicalSubstance cystine zwitterion An amino acid zwitterion that is the tautomer of cystine. Gmelin:51007 phenio.json 3,3'-disulfanediylbis(2-ammoniopropanoate)|3,3'-dithiobis(2-ammoniopropanoate) http://purl.obolibrary.org/obo/CHEBI_35492 3_STAR
CHEBI:35493 biolink:ChemicalSubstance antipyretic A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever. Wikipedia:Antipyretic phenio.json anti-pyretic http://purl.obolibrary.org/obo/CHEBI_35493 3_STAR
CHEBI:35494 biolink:ChemicalSubstance D-cystine The D-enantiomer of cystine. CAS:349-46-2|PMID:14726201|PMID:16782275|PMID:20800236|PMID:674038|Reaxys:1728093 phenio.json (2S,2'S)-3,3'-disulfanediylbis(2-aminopropanoic acid)|(2S,2'S)-3,3'-dithiobis(2-aminopropanoic acid)|D-cystine|cystine D-form http://purl.obolibrary.org/obo/CHEBI_35494 3_STAR
CHEBI:35496 biolink:ChemicalSubstance fluorobenzenes Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group. phenio.json http://purl.obolibrary.org/obo/CHEBI_35496 3_STAR
CHEBI:35497 biolink:ChemicalSubstance androgen antagonist A compound which inhibits or antagonises the biosynthesis or actions of androgens. Wikipedia:Antiandrogen phenio.json antiandrogen http://purl.obolibrary.org/obo/CHEBI_35497 3_STAR
CHEBI:35498 biolink:ChemicalSubstance diuretic An agent that promotes the excretion of urine through its effects on kidney function. phenio.json diuretics http://purl.obolibrary.org/obo/CHEBI_35498 3_STAR
CHEBI:354984 biolink:ChemicalSubstance candicidin A mixture of the antifungal heptaene macrolides obtained from a strain of Streptomyces griseus. It is composed of candicidins A, B, C and D, with candicidin D being the major component. Candicidin is active against some fungi of the genus Candida, and has been used in the treatment of vaginal candidiasis. Beilstein:8191911|Beilstein:8676490|Beilstein:8676491|Beilstein:9187362|CAS:1403-17-4|DrugBank:DB01152|Drug_Central:4424|KEGG:D03347|Patent:US2872373|Patent:US2992162 phenio.json Candicidin|Candicidin D|Candizidin|candicidin|candicidina|candicidine|candicidinum http://purl.obolibrary.org/obo/CHEBI_354984 3_STAR
CHEBI:35499 biolink:ChemicalSubstance hallucinogen Drugs capable of inducing illusions, hallucinations, delusions, paranoid ideations and other alterations of mood and thinking. phenio.json hallucinogenic agents|hallucinogenic drugs|hallucinogens|psychedelic agents|psychedelics http://purl.obolibrary.org/obo/CHEBI_35499 3_STAR
CHEBI:35500 biolink:ChemicalSubstance 1,4-benzodiazepinone phenio.json 1,4-benzodiazepinones http://purl.obolibrary.org/obo/CHEBI_35500 3_STAR
CHEBI:35501 biolink:ChemicalSubstance triazolobenzodiazepine Any organic heterotricyclic compound that is any benzodiazepine which is ortho-fused with a triazole. phenio.json triazolobenzodiazepines http://purl.obolibrary.org/obo/CHEBI_35501 3_STAR
CHEBI:35502 biolink:ChemicalSubstance oxazolobenzodiazepine phenio.json oxazolobenzodiazepines http://purl.obolibrary.org/obo/CHEBI_35502 3_STAR
CHEBI:35504 biolink:ChemicalSubstance addition compound An addition compound contains two or more simpler compounds that can be packed in a definite ratio into a crystal. The term covers donor-acceptor complexes (adducts) and a variety of lattice compounds. phenio.json addition compounds http://purl.obolibrary.org/obo/CHEBI_35504 3_STAR
CHEBI:35505 biolink:ChemicalSubstance hydrate An addition compound that contains water in weak chemical combination with another compound. phenio.json Hydrat|hidrato|hidratos|hydrates http://purl.obolibrary.org/obo/CHEBI_35505 3_STAR
CHEBI:35506 biolink:ChemicalSubstance alkaloid fundamental parent phenio.json alkaloid fundamental parents http://purl.obolibrary.org/obo/CHEBI_35506 3_STAR
CHEBI:35507 biolink:ChemicalSubstance natural product fundamental parent phenio.json natural product fundamental parents http://purl.obolibrary.org/obo/CHEBI_35507 3_STAR
CHEBI:35508 biolink:ChemicalSubstance steroid fundamental parent phenio.json steroid fundamental parents http://purl.obolibrary.org/obo/CHEBI_35508 3_STAR
CHEBI:35509 biolink:ChemicalSubstance androstane Beilstein:5247532|CAS:24887-75-0|LIPID_MAPS_instance:LMST02020000 phenio.json androstane http://purl.obolibrary.org/obo/CHEBI_35509 3_STAR
CHEBI:35510 biolink:ChemicalSubstance aluminium salt phenio.json aluminium salt|aluminium salts http://purl.obolibrary.org/obo/CHEBI_35510 3_STAR
CHEBI:35512 biolink:ChemicalSubstance ergostane LIPID_MAPS_instance:LMST01030000|LIPID_MAPS_instance:LMST01040001 phenio.json ergostane http://purl.obolibrary.org/obo/CHEBI_35512 3_STAR
CHEBI:35515 biolink:ChemicalSubstance 5alpha-cholestane The 5alpha-stereoisomer of cholestane. CAS:481-21-0|HMDB:HMDB0041632|Reaxys:2051806 phenio.json (5alpha)-cholestane|5alpha-cholestane|alpha-cholestane http://purl.obolibrary.org/obo/CHEBI_35515 3_STAR
CHEBI:35516 biolink:ChemicalSubstance cholestane Beilstein:5334741|CAS:14982-53-7|LIPID_MAPS_instance:LMST01010000|Wikipedia:Cholestane phenio.json cholestane http://purl.obolibrary.org/obo/CHEBI_35516 3_STAR
CHEBI:35517 biolink:ChemicalSubstance 5beta-cholestane Beilstein:2051807|CAS:481-20-9|LIPID_MAPS_instance:LMST01010085 phenio.json (5beta)-cholestane|5beta-cholestane|beta-cholestane|coprostane|pseudocholestane http://purl.obolibrary.org/obo/CHEBI_35517 3_STAR
CHEBI:35518 biolink:ChemicalSubstance campestane LIPID_MAPS_instance:LMST01030001 phenio.json campestane http://purl.obolibrary.org/obo/CHEBI_35518 3_STAR
CHEBI:35519 biolink:ChemicalSubstance cholane phenio.json cholane http://purl.obolibrary.org/obo/CHEBI_35519 3_STAR
CHEBI:35522 biolink:ChemicalSubstance beta-adrenergic agonist An agent that selectively binds to and activates beta-adrenergic receptors. phenio.json beta-adrenergic agonists|beta-adrenergic receptor agonist|beta-adrenoceptor agonists http://purl.obolibrary.org/obo/CHEBI_35522 3_STAR
CHEBI:35523 biolink:ChemicalSubstance bronchodilator agent An agent that causes an increase in the expansion of a bronchus or bronchial tubes. phenio.json bronchodilator|bronchodilator agents|broncholytic agent http://purl.obolibrary.org/obo/CHEBI_35523 3_STAR
CHEBI:35524 biolink:ChemicalSubstance sympathomimetic agent A drug that mimics the effects of stimulating postganglionic adrenergic sympathetic nerves. Included in this class are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters. phenio.json sympathomimetic|sympathomimetics http://purl.obolibrary.org/obo/CHEBI_35524 3_STAR
CHEBI:35525 biolink:ChemicalSubstance 5alpha-gonane phenio.json 5alpha-gonane http://purl.obolibrary.org/obo/CHEBI_35525 3_STAR
CHEBI:35526 biolink:ChemicalSubstance hypoglycemic agent A drug which lowers the blood glucose level. phenio.json anti-hyperglycemic agent|anti-hyperglycemic agents|antidiabetic|antihyperglycemic|antihyperglycemic agent|antihyperglycemic agents|antihyperglycemic drug|antihyperglycemic drugs|antihyperglycemics|hypoglycemic agents|hypoglycemic drug|hypoglycemic drugs http://purl.obolibrary.org/obo/CHEBI_35526 3_STAR
CHEBI:35528 biolink:ChemicalSubstance gonane Beilstein:3125524 phenio.json gonane http://purl.obolibrary.org/obo/CHEBI_35528 3_STAR
CHEBI:35530 biolink:ChemicalSubstance beta-adrenergic antagonist An agent that binds to but does not activate beta-adrenergic receptors thereby blocking the actions of endogenous or exogenous beta-adrenergic agonists. beta-Adrenergic antagonists are used for treatment of hypertension, cardiac arrhythmias, angina pectoris, glaucoma, migraine headaches and anxiety. phenio.json beta-adrenergic antagonists|beta-adrenergic blocker|beta-adrenergic blockers|beta-adrenergic receptor blockaders|beta-adrenoceptor antagonists|beta-blocker|beta-blockers http://purl.obolibrary.org/obo/CHEBI_35530 3_STAR
CHEBI:35533 biolink:ChemicalSubstance propanolamine phenio.json propanolamine|propanolamines http://purl.obolibrary.org/obo/CHEBI_35533 3_STAR
CHEBI:35542 biolink:ChemicalSubstance 5beta-cardanolide phenio.json 5beta-cardanolide http://purl.obolibrary.org/obo/CHEBI_35542 3_STAR
CHEBI:35543 biolink:ChemicalSubstance cardanolide phenio.json cardanolide http://purl.obolibrary.org/obo/CHEBI_35543 3_STAR
CHEBI:35544 biolink:ChemicalSubstance EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor A compound or agent that combines with cyclooxygenases (EC 1.14.99.1) and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of icosanoids, prostaglandins, and thromboxanes. phenio.json (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitor|(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate,hydrogen-donor:oxygen oxidoreductase inhibitors|(PG)H synthase inhibitor|(PG)H synthase inhibitors|COX inhibitor|EC 1.14.99.1 (cyclooxygenase) inhibitor|EC 1.14.99.1 (cyclooxygenase) inhibitors|EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitors|EC 1.14.99.1 inhibitor|EC 1.14.99.1 inhibitors|PG synthetase inhibitor|PG synthetase inhibitors|cyclooxygenase (EC 1.14.99.1) inhibitor|cyclooxygenase (EC 1.14.99.1) inhibitors|cyclooxygenase inhibitor|cyclooxygenase inhibitors|fatty acid cyclooxygenase inhibitor|fatty acid cyclooxygenase inhibitors|prostaglandin G/H synthase inhibitor|prostaglandin G/H synthase inhibitors|prostaglandin endoperoxide synthetase inhibitor|prostaglandin endoperoxide synthetase inhibitors|prostaglandin synthase inhibitor|prostaglandin synthase inhibitors|prostaglandin synthetase inhibitor|prostaglandin synthetase inhibitors http://purl.obolibrary.org/obo/CHEBI_35544 3_STAR
CHEBI:35545 biolink:ChemicalSubstance bipyridine phenio.json Bipyridin|bipyridine|bipyridyl http://purl.obolibrary.org/obo/CHEBI_35545 3_STAR
CHEBI:35549 biolink:ChemicalSubstance perfluorooctanoic acid A fluoroalkanoic acid that is perfluorinated octanoic acid. CAS:335-67-1|Gmelin:34320|PMID:16020091|PMID:18467677|Reaxys:1809678|Wikipedia:Perfluorooctanoic_acid phenio.json 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid|PFOA|pentadecafluoro-1-octanoic acid|pentadecafluoro-n-octanoic acid|pentadecafluorooctanoic acid|perfluoro-n-octanoic acid|perfluorocaprylic acid|perfluoroheptanecarboxylic acid|perfluorooctanoic acid|perfluorooctylcarboxylic acid http://purl.obolibrary.org/obo/CHEBI_35549 3_STAR
CHEBI:35550 biolink:ChemicalSubstance 1H-1,2,4-triazole Beilstein:104767|CAS:288-88-0|Gmelin:122679 phenio.json 1H-1,2,4-triazole|s-Triazole http://purl.obolibrary.org/obo/CHEBI_35550 3_STAR
CHEBI:35551 biolink:ChemicalSubstance fluoroalkanoic acid Any organofluorine compound that is the perfluorinated derivative of any alkanoic acid. phenio.json fluoroalkanoic acids http://purl.obolibrary.org/obo/CHEBI_35551 3_STAR
CHEBI:355510 biolink:ChemicalSubstance cefotiam A cephalosporin with ({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl and (2-amino-1,3-thiazol-4-yl)acetamido substituents at positions 3 and 7, respectively, of the cephem skeleton. A third generation beta-lactam cephalosporin antibiotic, it is active against a broad spectrum of both Gram positive and Gram negative bacteria. CAS:61622-34-2|DrugBank:DB00229|Drug_Central:548|KEGG:D07648|LINCS:LSM-2022|PMID:28543395|PMID:6341590|Patent:DE2458695|Patent:US4080498|Wikipedia:Cefotiam phenio.json (6R,7R)-7-[2-(2-Amino-thiazol-4-yl)-acetylamino]-3-[1-(2-dimethylamino-ethyl)-1H-tetrazol-5-ylsulfanylmethyl]-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid|(6R,7R)-7-{[(2-amino-1,3-thiazol-4-yl)acetyl]amino}-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid|7beta-(2-amino-1,3-thiazol-4-yl)acetamido-3-[({1-[2-(dimethylamino)ethyl]-1H-tetrazol-5-yl}sulfanyl)methyl]-3,4-didehydrocepham-4-carboxylic acid|CEFOTIAM|CTM|cefotiam|cefotiamum http://purl.obolibrary.org/obo/CHEBI_355510 3_STAR
CHEBI:35552 biolink:ChemicalSubstance heterocyclic organic fundamental parent phenio.json heterocyclic fundamental parent|heterocyclic organic fundamental parents|heterocyclic parent hydrides|organic heterocyclic fundamental parents http://purl.obolibrary.org/obo/CHEBI_35552 3_STAR
CHEBI:35553 biolink:ChemicalSubstance perhexiline Beilstein:4979856|CAS:6621-47-2|DrugBank:DB01074|Drug_Central:2106|LINCS:LSM-4353|Wikipedia:Perhexiline phenio.json 2-(2,2-dicyclohexylethyl)piperidine|Perhexilene|Perhexiline http://purl.obolibrary.org/obo/CHEBI_35553 3_STAR
CHEBI:35554 biolink:ChemicalSubstance cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. phenio.json cardiovascular agent|cardiovascular drugs http://purl.obolibrary.org/obo/CHEBI_35554 3_STAR
CHEBI:35555 biolink:ChemicalSubstance mancude organic heteromonocyclic parent phenio.json mancude organic heteromonocyclic parents|mancude-ring organic heteromonocyclic parents http://purl.obolibrary.org/obo/CHEBI_35555 3_STAR
CHEBI:35556 biolink:ChemicalSubstance pyrrole A five-membered monocyclic heteroarene comprising one NH and four CH units which forms the parent compound of the pyrrole group of compounds. Its five-membered ring structure has three tautomers. A 'closed class'. phenio.json pyrrole http://purl.obolibrary.org/obo/CHEBI_35556 3_STAR
CHEBI:35557 biolink:ChemicalSubstance 3H-pyrrole That one of the three tautomers of pyrrole which has the double bonds at positions 1 and 4. phenio.json 3H-pyrrole http://purl.obolibrary.org/obo/CHEBI_35557 3_STAR
CHEBI:35558 biolink:ChemicalSubstance 2H-pyrrole That one of the three tautomers of pyrrole which has the double bonds at positions 1 and 3. Beilstein:1633591 phenio.json 2H-pyrrole http://purl.obolibrary.org/obo/CHEBI_35558 3_STAR
CHEBI:35559 biolink:ChemicalSubstance furan A monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31degreeC) colourless liquid. Beilstein:103221|CAS:110-00-9|Gmelin:25716|HMDB:HMDB0013785|KEGG:C14275|LINCS:LSM-37156|PMID:16006568|PMID:17224250|PMID:22079235|PMID:22542513|PMID:22641279|PMID:22865590|PMID:9169064|Reaxys:103221|Wikipedia:Furan phenio.json 1,4-epoxy-1,3-butadiene|Furan|divinylene oxide|furan|furane|oxacyclopentadiene|oxole|tetrole http://purl.obolibrary.org/obo/CHEBI_35559 3_STAR
CHEBI:35560 biolink:ChemicalSubstance 1,2,4-triazole DrugBank:DB03594 phenio.json 1,2,4-triazole http://purl.obolibrary.org/obo/CHEBI_35560 3_STAR
CHEBI:35561 biolink:ChemicalSubstance 3H-1,2,4-triazole Beilstein:506536|Gmelin:362238 phenio.json 3H-1,2,4-triazole http://purl.obolibrary.org/obo/CHEBI_35561 3_STAR
CHEBI:35568 biolink:ChemicalSubstance mancude ring Any molecular entity that consists of a ring having (formally) the maximum number of noncumulative double bonds. phenio.json mancude rings|mancude-ring systems|mancunide-ring systems http://purl.obolibrary.org/obo/CHEBI_35568 3_STAR
CHEBI:35569 biolink:ChemicalSubstance alpha-adrenergic agonist An agent that selectively binds to and activates alpha-adrenergic receptors. phenio.json alpha-adrenergic agonists|alpha-adrenergic receptor agonist|alpha-adrenoceptor agonists http://purl.obolibrary.org/obo/CHEBI_35569 3_STAR
CHEBI:35570 biolink:ChemicalSubstance mancude organic heterobicyclic parent phenio.json mancude organic heterobicyclic parents|mancude-ring organic heterobicyclic parents http://purl.obolibrary.org/obo/CHEBI_35570 3_STAR
CHEBI:35571 biolink:ChemicalSubstance mancude organic heterocyclic parent phenio.json mancude organic heterocyclic parents|mancude-ring organic heterocyclic parents http://purl.obolibrary.org/obo/CHEBI_35571 3_STAR
CHEBI:35573 biolink:ChemicalSubstance organic mancude parent phenio.json organic mancude parents|organic mancude-ring parents http://purl.obolibrary.org/obo/CHEBI_35573 3_STAR
CHEBI:35579 biolink:ChemicalSubstance 3H-indole Beilstein:107688|CAS:271-26-1|Gmelin:2037578 phenio.json 3H-indole http://purl.obolibrary.org/obo/CHEBI_35579 3_STAR
CHEBI:3558 biolink:ChemicalSubstance cerivastatin (3R,5S)-3,5-dihydroxyhept-6-enoic acid in which the (7E)-hydrogen is substituted by a 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl group. Formerly used (as its sodium salt) to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity. Beilstein:8366578|CAS:145599-86-6|DrugBank:DB00439|Drug_Central:577|KEGG:C07966|KEGG:D07661|PMID:17560788|PMID:18155906|Wikipedia:Cerivastatin phenio.json (3R,5S,6E)-7-(4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-bis(1-methylethyl)-3-pyridinyl)-3,5-dihydroxy-6-heptenoic acid|(3R,5S,6E)-7-(4-(p-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)-3-pyridyl)-3,5-dihydroxy-6-heptenoic acid|(3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)-2,6-di(propan-2-yl)pyridin-3-yl]-3,5-dihydroxyhept-6-enoic acid|(3R,5S,E)-7-(4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl)-3,5-dihydroxyhept-6-enoic acid|Cerivastatin|cerivastatin|cerivastatin acid http://purl.obolibrary.org/obo/CHEBI_3558 3_STAR
CHEBI:35580 biolink:ChemicalSubstance N-oxide phenio.json N-oxide|N-oxides http://purl.obolibrary.org/obo/CHEBI_35580 3_STAR
CHEBI:35581 biolink:ChemicalSubstance indole Either of two isomeric forms comprising a benzene ring fused to a pyrrole ring. HMDB:HMDB0000738|PMID:24563545|PMID:24695245|Wikipedia:Indole phenio.json indole http://purl.obolibrary.org/obo/CHEBI_35581 3_STAR
CHEBI:35584 biolink:ChemicalSubstance purine A heterobicyclic aromatic organic compound comprising a pyrimidine ring fused to an imidazole ring; the parent compound of the purines. HMDB:HMDB0001366|KEGG:C15587|MetaCyc:PURINE|PMID:12865945|PMID:24088627 phenio.json purine http://purl.obolibrary.org/obo/CHEBI_35584 3_STAR
CHEBI:35586 biolink:ChemicalSubstance 1H-purine The 1H-tautomer of purine. Gmelin:2379911 phenio.json 1H-purine http://purl.obolibrary.org/obo/CHEBI_35586 3_STAR
CHEBI:35588 biolink:ChemicalSubstance 3H-purine The 3H-tautomer of purine. PMID:6149478|PMID:7178185|PMID:7296170|Reaxys:1210196 phenio.json 3H-purine http://purl.obolibrary.org/obo/CHEBI_35588 3_STAR
CHEBI:35589 biolink:ChemicalSubstance 9H-purine The 9H-tautomer of purine. Beilstein:606899|CAS:120-73-0|Gmelin:3120|Wikipedia:Purine phenio.json 9H-purine http://purl.obolibrary.org/obo/CHEBI_35589 3_STAR
CHEBI:35591 biolink:ChemicalSubstance pregnenolone 16alpha-carbonitrile Beilstein:2706221|CAS:1434-54-4|KEGG:C15637|LINCS:LSM-2870 phenio.json 3beta-Hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile|3beta-hydroxy-20-oxo-5-pregnene-16alpha-carbonitrile|3beta-hydroxy-20-oxopregn-5-ene-16alpha-carbonitrile|PCN|Pregnenolone-16alpha-carbonitrile|pregnenolone 16alpha-carbonitrile|pregnenolone carbonitrile http://purl.obolibrary.org/obo/CHEBI_35591 3_STAR
CHEBI:35592 biolink:ChemicalSubstance 2H-pyran Beilstein:3535541 phenio.json 2H-pyran http://purl.obolibrary.org/obo/CHEBI_35592 3_STAR
CHEBI:35593 biolink:ChemicalSubstance 4H-pyran Beilstein:1421312|CAS:289-65-6 phenio.json 4H-pyran http://purl.obolibrary.org/obo/CHEBI_35593 3_STAR
CHEBI:35594 biolink:ChemicalSubstance pyran phenio.json pyran http://purl.obolibrary.org/obo/CHEBI_35594 3_STAR
CHEBI:35596 biolink:ChemicalSubstance (+)-pulegone The (5R)-enantiomer of p-menth-4(8)-en-3-one. CAS:89-82-7|KEGG:C09893|KNApSAcK:C00000827|LIPID_MAPS_instance:LMPR0102090025|Reaxys:3588094 phenio.json (+)-(R)-Pulegone|(+)-Pulegone|(1R)-(+)-p-Menth-4(8)-en-3-one|(5R)-2-isopropylidene-5-methylcyclohexanone|(5R)-5-methyl-2-(propan-2-ylidene)cyclohexan-1-one|(R)-pulegone|1beta-p-menth-4(8)-en-3-one|Pulegone|d-Pulegone http://purl.obolibrary.org/obo/CHEBI_35596 3_STAR
CHEBI:35601 biolink:ChemicalSubstance 2H-chromene A simplest member of the class of chromene in which the heterocyclic pyran ring has a double bond between positions 3 and 4. Beilstein:109871|CAS:254-04-6 phenio.json 1,2-benzopyran|2H-1-benzopyran|2H-chromene|3-chromene|Delta-3-chromene http://purl.obolibrary.org/obo/CHEBI_35601 3_STAR
CHEBI:356010 biolink:ChemicalSubstance 5-aminopentanoic acid zwitterion Zwitterionic form of 5-aminopentanoic acid having an anionic carboxy group and a protonated amino group. Gmelin:1042689 phenio.json 5-aminopentanoate|5-ammoniopentanoate|5-azaniumylpentanoate http://purl.obolibrary.org/obo/CHEBI_356010 3_STAR
CHEBI:35602 biolink:ChemicalSubstance chromene phenio.json chromene http://purl.obolibrary.org/obo/CHEBI_35602 3_STAR
CHEBI:35603 biolink:ChemicalSubstance 4H-chromene A simplest member of the class of chromene in which the heterocyclic pyran ring has a double bond between positions 2 and 3. Beilstein:111589|CAS:254-03-5 phenio.json 4H-1-benzopyran|4H-chromene http://purl.obolibrary.org/obo/CHEBI_35603 3_STAR
CHEBI:35604 biolink:ChemicalSubstance carbon oxoanion A negative ion consisting solely of carbon and oxygen atoms, and therefore having the general formula CxOy(n-) for some integers x, y and n. phenio.json carbon oxoanion|carbon oxoanions|oxocarbon anion|oxocarbon anions http://purl.obolibrary.org/obo/CHEBI_35604 3_STAR
CHEBI:35605 biolink:ChemicalSubstance carbon oxoacid phenio.json carbon oxoacids|oxoacids of carbon http://purl.obolibrary.org/obo/CHEBI_35605 3_STAR
CHEBI:35607 biolink:ChemicalSubstance trisodium vanadate An inorganic sodium salt of formula Na3VO4 containing the tetrahedral VO4(3-) Beilstein:12153548|CAS:13721-39-6|Gmelin:1600790|Gmelin:2388949|Gmelin:2389118|Gmelin:38128|PMID:16180085|PMID:21909513|PMID:25044526|PMID:26647781|PMID:28320298|PMID:30179137|PMID:30368869|PMID:30927246|PMID:30944619|PMID:32940655|PMID:34125648|Reaxys:14555683|Wikipedia:Sodium_orthovanadate phenio.json Na3VO4|sodium o-vanadate|sodium orthovanadate|sodium pervanadate|sodium tetraoxidovanadate(3-)|sodium tetraoxidovanadate(V)|sodium tetraoxovanadate(3-)|sodium vanadate|sodium vanadate (ortho)|sodium vanadate(V)|sodium vanadium oxide|trisodium orthovanadate|trisodium tetraoxovanadate|trisodium trioxido(oxo)vanadium|trisodium vanadate|vanadate (VO4(3-)), trisodium|vanadic acid (H3VO4), sodium salt|vanadic acid, trisodium salt http://purl.obolibrary.org/obo/CHEBI_35607 3_STAR
CHEBI:35608 biolink:ChemicalSubstance EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitor An EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor which interferes with the activity of the enzyme protein tyrosine phosphatases (PTPs), EC 3.1.3.48, involved in the removal of phosphate groups from phosphorylated tyrosine residues on proteins. Wikipedia:Protein-tyrosine-phosphatase phenio.json EC 3.1.3.48 (protein-tyrosine-phosphatase) inhibitors|EC 3.1.3.48 inhibitor|EC 3.1.3.48 inhibitors|PPT-phosphatase inhibitor|PPT-phosphatase inhibitors|PTP-phosphatase inhibitor|PTP-phosphatase inhibitors|PTPase inhibitor|PTPase inhibitors|[phosphotyrosine]protein phosphatase inhibitor|[phosphotyrosine]protein phosphatase inhibitors|phosphoprotein phosphatase (phosphotyrosine) inhibitor|phosphoprotein phosphatase (phosphotyrosine) inhibitors|phosphotyrosine histone phosphatase inhibitor|phosphotyrosine histone phosphatase inhibitors|phosphotyrosine phosphatase inhibitor|phosphotyrosine phosphatase inhibitors|phosphotyrosine protein phosphatase inhibitor|phosphotyrosine protein phosphatase inhibitors|phosphotyrosylprotein phosphatase inhibitor|phosphotyrosylprotein phosphatase inhibitors|protein phosphotyrosine phosphatase inhibitor|protein phosphotyrosine phosphatase inhibitors|protein tyrosine phosphatase inhibitor|protein tyrosine phosphatase inhibitors|protein-tyrosine-phosphatase (EC 3.1.3.48) inhibitor|protein-tyrosine-phosphatase (EC 3.1.3.48) inhibitors|protein-tyrosine-phosphatase inhibitor|protein-tyrosine-phosphatase inhibitors|protein-tyrosine-phosphate phosphohydrolase inhibitor|protein-tyrosine-phosphate phosphohydrolase inhibitors|tyrosine O-phosphate phosphatase inhibitor|tyrosine O-phosphate phosphatase inhibitors|tyrosylprotein phosphatase inhibitor|tyrosylprotein phosphatase inhibitors http://purl.obolibrary.org/obo/CHEBI_35608 3_STAR
CHEBI:3561 biolink:ChemicalSubstance cetirizine A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively. CAS:83881-51-0|DrugBank:DB00341|Drug_Central:581|HMDB:HMDB0005032|KEGG:C07778|KEGG:D07662|LINCS:LSM-1544|PMID:15850951|PMID:20455340|PMID:8103703|Reaxys:7227333|Wikipedia:Cetirizine phenio.json (2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid|Cetirizin|cetirizina|cetirizine|cetirizinum http://purl.obolibrary.org/obo/CHEBI_3561 3_STAR
CHEBI:35610 biolink:ChemicalSubstance antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. phenio.json anticancer agent|anticancer agents|antineoplastic|antineoplastic agents|cytostatic http://purl.obolibrary.org/obo/CHEBI_35610 3_STAR
CHEBI:35615 biolink:ChemicalSubstance tropane Beilstein:6379695|CAS:529-17-9 phenio.json (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane|1alphaH,5alphaH-tropane|2,3-dihydro-8-methylnortropidine|N-methyl-8-azabicyclo[3.2.1]octane|tropane http://purl.obolibrary.org/obo/CHEBI_35615 3_STAR
CHEBI:35617 biolink:ChemicalSubstance flavouring agent A food additive that is used to added improve the taste or odour of a food. phenio.json flavoring agent|flavoring agents|flavour enhancer|flavour enhancers|flavouring agents http://purl.obolibrary.org/obo/CHEBI_35617 3_STAR
CHEBI:35618 biolink:ChemicalSubstance aromatic ether Any ether in which the oxygen is attached to at least one aryl substituent. phenio.json http://purl.obolibrary.org/obo/CHEBI_35618 3_STAR
CHEBI:35619 biolink:ChemicalSubstance L-alpha-aminobutyric acid An optically active form of alpha-aminobutyric acid having L-configuration. CAS:1492-24-6|Gmelin:278145|HMDB:HMDB0000452|KEGG:C02356|LIPID_MAPS_instance:LMFA01100034|MetaCyc:CPD0-1942|PDBeChem:ABA|PMID:16098526|PMID:1700029|PMID:4572987|PMID:575311|RESID:AA0409|Reaxys:1720935|YMDB:YMDB01570 phenio.json (-)-2-aminobutyric acid|(2S)-2-aminobutanoic acid|(2S)-2-aminobutyric acid|(S)-2-Aminobutanoate|(S)-2-Aminobutanoic acid|(S)-2-Aminobutyric acid|L-(+)-2-aminobutyric acid|L-2-Aminobuttersaeure|L-2-aminobutyric acid|L-alpha-amino-n-butyric acid|L-alpha-aminobutyric acid|L-butyrine|S-Butyrine http://purl.obolibrary.org/obo/CHEBI_35619 3_STAR
CHEBI:35620 biolink:ChemicalSubstance vasodilator agent A drug used to cause dilation of the blood vessels. phenio.json vasodilator|vasodilator agents http://purl.obolibrary.org/obo/CHEBI_35620 3_STAR
CHEBI:35621 biolink:ChemicalSubstance alpha-aminobutyric acid An alpha-amino acid that is butyric acid bearing a single amino substituent located at position 2. CAS:2835-81-6|DrugBank:DB04454|Gmelin:217679|MetaCyc:CPD-3686|PMID:11958629|PMID:15246869|PMID:20551690|PMID:22061039|PMID:22264337|PMID:22770225|Reaxys:635889|Wikipedia:Alpha-Aminobutyric_acid phenio.json 2-amino-n-butyric acid|2-aminobutanoic acid|2-aminobutyric acid|AABA|Abu|alpha-amino-n-butyric acid|alpha-aminobutyric acid|butyrine|homoalanine http://purl.obolibrary.org/obo/CHEBI_35621 3_STAR
CHEBI:35622 biolink:ChemicalSubstance thiazolidines phenio.json thiazolidine http://purl.obolibrary.org/obo/CHEBI_35622 3_STAR
CHEBI:35623 biolink:ChemicalSubstance anticonvulsant A drug used to prevent seizures or reduce their severity. phenio.json Antiepileptika|Antiepileptikum|Antikonvulsiva|Antikonvulsivum|anti-convulsant|anti-convulsants|anti-convulsive agent|anti-convulsive agents|anticonvulsants|anticonvulsive agent|anticonvulsive agents|antiepileptic|antiepileptics|antiepileptique|antiepileptiques http://purl.obolibrary.org/obo/CHEBI_35623 3_STAR
CHEBI:35624 biolink:ChemicalSubstance azaspiro compound An azaspiro compound is a spiro compound in which at least one of the cyclic components is a nitrogen heterocyle. phenio.json azaspiro compound|azaspiro compounds http://purl.obolibrary.org/obo/CHEBI_35624 3_STAR
CHEBI:35625 biolink:ChemicalSubstance EC 3.5.2.6 (beta-lactamase) inhibitor An EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor that interferes with the action of beta-lactamase (EC 3.5.2.6). phenio.json EC 3.5.2.6 (beta-lactamase) inhibitors|EC 3.5.2.6 inhibitor|EC 3.5.2.6 inhibitors|ampicillinase inhibitor|ampicillinase inhibitors|beta-lactam hydrolase inhibitor|beta-lactam hydrolase inhibitors|beta-lactamase (EC 3.5.2.6) inhibitor|beta-lactamase (EC 3.5.2.6) inhibitors|beta-lactamase A, B, C inhibitor|beta-lactamase A, B, C inhibitors|beta-lactamase AME I inhibitor|beta-lactamase AME I inhibitors|beta-lactamase I-III inhibitor|beta-lactamase I-III inhibitors|beta-lactamase inhibitor|beta-lactamase inhibitors|cephalosporin-beta-lactamase inhibitor|cephalosporin-beta-lactamase inhibitors|cephalosporinase inhibitor|cephalosporinase inhibitors|exopenicillinase inhibitor|exopenicillinase inhibitors|neutrapen inhibitor|neutrapen inhibitors|penicillin amido-beta-lactamhydrolase inhibitor|penicillin amido-beta-lactamhydrolase inhibitors|penicillin beta-lactamase inhibitor|penicillin beta-lactamase inhibitors|penicillinase I, II inhibitor|penicillinase I, II inhibitors|penicillinase inhibitor|penicillinase inhibitors http://purl.obolibrary.org/obo/CHEBI_35625 3_STAR
CHEBI:35627 biolink:ChemicalSubstance beta-lactam A lactam in which the amide bond is contained within a four-membered ring, which includes the amide nitrogen and the carbonyl carbon. KEGG:C01866|Wikipedia:Beta-lactam phenio.json a beta-lactam|beta-Lactam|beta-lactams http://purl.obolibrary.org/obo/CHEBI_35627 3_STAR
CHEBI:35631 biolink:ChemicalSubstance yohimban Beilstein:4909341|Beilstein:90731|CAS:523-06-8 phenio.json deoxyohimbol|yohimban http://purl.obolibrary.org/obo/CHEBI_35631 3_STAR
CHEBI:35633 biolink:ChemicalSubstance yohimbic acid Beilstein:96991|CAS:522-87-2|LINCS:LSM-6586 phenio.json 17alpha-hydroxyyohimban-16alpha-carboxylic acid|Yohimbinsaeure|yohimbic acid|yohimbinic acid http://purl.obolibrary.org/obo/CHEBI_35633 3_STAR
CHEBI:35634 biolink:ChemicalSubstance EC 1.17.3.2 (xanthine oxidase) inhibitor An EC 1.17.3.* (oxidoreductase acting on CH or CH2 with oxygen as acceptor) inhibitor that interferes with the action of xanthine oxidase (EC 1.17.3.2). phenio.json EC 1.17.3.2 (xanthine oxidase) inhibitors|EC 1.17.3.2 inhibitor|EC 1.17.3.2 inhibitors|Schardinger enzyme inhibitor|Schardinger enzyme inhibitors|hypoxanthine oxidase inhibitor|hypoxanthine oxidase inhibitors|hypoxanthine-xanthine oxidase inhibitor|hypoxanthine-xanthine oxidase inhibitors|hypoxanthine:oxygen oxidoreductase inhibitor|hypoxanthine:oxygen oxidoreductase inhibitors|xanthine oxidase (EC 1.17.3.2) inhibitor|xanthine oxidase (EC 1.17.3.2) inhibitors|xanthine oxidase inhibitor|xanthine oxidase inhibitors|xanthine oxidoreductase inhibitor|xanthine oxidoreductase inhibitors|xanthine:O2 oxidoreductase inhibitor|xanthine:O2 oxidoreductase inhibitors|xanthine:oxygen oxidoreductase inhibitor|xanthine:oxygen oxidoreductase inhibitors|xanthine:xanthine oxidase inhibitor|xanthine:xanthine oxidase inhibitors http://purl.obolibrary.org/obo/CHEBI_35634 3_STAR
CHEBI:35636 biolink:ChemicalSubstance 17alpha-yohimbol Beilstein:92823 phenio.json yohimban-17alpha-ol http://purl.obolibrary.org/obo/CHEBI_35636 3_STAR
CHEBI:35637 biolink:ChemicalSubstance 17-yohimbol phenio.json yohimban-17-ol http://purl.obolibrary.org/obo/CHEBI_35637 3_STAR
CHEBI:35638 biolink:ChemicalSubstance 18-oxayohimban phenio.json (4aR,13bS,14aR)-1,2,4a,5,7,8,13,13b,14,14a-decahydro-4H-indolo[2,3-a]pyrano[3,4-g]quinolizine|18-oxayohimban|oxayohimban http://purl.obolibrary.org/obo/CHEBI_35638 3_STAR
CHEBI:35640 biolink:ChemicalSubstance adrenergic uptake inhibitor Adrenergic uptake inhibitors are drugs that block the transport of adrenergic transmitters into axon terminals or into storage vesicles within terminals. The tricyclic antidepressants and amphetamines are among the therapeutically important drugs that may act via inhibition of adrenergic transport. Many of these drugs also block transport of serotonin. phenio.json ARI|NERI|NRI|adrenergic reuptake inhibitor|adrenergic reuptake inhibitors|adrenergic uptake inhibitors|norepinephrine reuptake inhibitor|norepinephrine reuptake inhibitors http://purl.obolibrary.org/obo/CHEBI_35640 3_STAR
CHEBI:35641 biolink:ChemicalSubstance dibenzannulene phenio.json dibenzannulene|dibenzannulenes http://purl.obolibrary.org/obo/CHEBI_35641 3_STAR
CHEBI:356416 biolink:ChemicalSubstance 5-ammoniolevulinate The zwitterion formed from 5-aminolevulinic acid by transfer of a proton from the carboxy group to the amino group. It is the major species present at physiological pH. PMID:14667225 phenio.json 5-aminolevulinate|5-ammonio-4-oxopentanoate|5-ammonio-4-oxovalerate|5-azaniumyl-4-oxopentanoate http://purl.obolibrary.org/obo/CHEBI_356416 3_STAR
CHEBI:35642 biolink:ChemicalSubstance dibenzo[a,d][7]annulene phenio.json 5H-dibenzo[a,d][7]annulene|5H-dibenzo[a,d]cycloheptene http://purl.obolibrary.org/obo/CHEBI_35642 3_STAR
CHEBI:35643 biolink:ChemicalSubstance aporphine An isoquinoline alkaloid that is the N-methyl derivative of 5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline. Beilstein:192257|CAS:478-57-9 phenio.json 6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline|aporphine http://purl.obolibrary.org/obo/CHEBI_35643 3_STAR
CHEBI:35644 biolink:ChemicalSubstance eburnamenine Beilstein:34697 phenio.json eburnamenine http://purl.obolibrary.org/obo/CHEBI_35644 3_STAR
CHEBI:356445 biolink:ChemicalSubstance glycylglycine zwitterion The zwitterion from the dipeptide glycylglycine formed by proton transfer from the OH of the carboxy group to the terminal amino group. MetaCyc:GLYCYLGLYCINE|PMID:14667225 phenio.json [(ammonioacetyl)amino]acetate|[(azaniumylacetyl)amino]acetate|glycylglycine http://purl.obolibrary.org/obo/CHEBI_356445 3_STAR
CHEBI:35646 biolink:ChemicalSubstance galanthan Beilstein:8326915 phenio.json galanthan http://purl.obolibrary.org/obo/CHEBI_35646 3_STAR
CHEBI:35649 biolink:ChemicalSubstance morphinan Beilstein:1375527 phenio.json morphinan http://purl.obolibrary.org/obo/CHEBI_35649 3_STAR
CHEBI:35660 biolink:ChemicalSubstance HIV protease inhibitor An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly. Wikipedia:Protease_inhibitor_(pharmacology) phenio.json HIV protease inhibitors http://purl.obolibrary.org/obo/CHEBI_35660 3_STAR
CHEBI:35662 biolink:ChemicalSubstance terpenoid fundamental parent phenio.json terpenoid fundamental parents http://purl.obolibrary.org/obo/CHEBI_35662 3_STAR
CHEBI:35664 biolink:ChemicalSubstance EC 1.1.1.34/EC 1.1.1.88 (hydroxymethylglutaryl-CoA reductase) inhibitor Any EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD(+) or NADP(+) acceptor) inhibitor that inhibits HMG-CoA reductases. Hydroxymethylglutaryl-CoA reductase inhibitors have been shown to lower directly cholesterol synthesis. The Enzyme Commission designation is EC 1.1.1.34 for the NADPH-dependent enzyme and EC 1.1.1.88 for an NADH-dependent enzyme. PMID:1464741|PMID:15531285|PMID:20467214|Wikipedia:HMG-CoA_reductase phenio.json HMG-CoA reductase inhibitor|HMG-CoA reductase inhibitors|hydroxymethylglutaryl-CoA reductase inhibitor|hydroxymethylglutaryl-CoA reductase inhibitors http://purl.obolibrary.org/obo/CHEBI_35664 3_STAR
CHEBI:35666 biolink:ChemicalSubstance thiopurine phenio.json mercaptopurines|sulfanylpurines|thiopurines http://purl.obolibrary.org/obo/CHEBI_35666 3_STAR
CHEBI:35668 biolink:ChemicalSubstance 6-azauridine Beilstein:32281|CAS:54-25-1|LINCS:LSM-37135 phenio.json 2-beta-D-Ribofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione|2-beta-D-ribofuranosyl-1,2,4-triazine-3,5(2H,4H)-dione|2beta-D-Ribofuranosyl-as-triazine-3,5(2H,4H)-dione|3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazine riboside|6-Azauracil 1-riboside|6-azauridine|Azauridine http://purl.obolibrary.org/obo/CHEBI_35668 3_STAR
CHEBI:35673 biolink:ChemicalSubstance abietane Beilstein:2500550 phenio.json abietane http://purl.obolibrary.org/obo/CHEBI_35673 3_STAR
CHEBI:35674 biolink:ChemicalSubstance antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. Wikipedia:Antihypertensive_drug phenio.json antihypertensive|antihypertensive agents|antihypertensive drug|antihypertensive drugs http://purl.obolibrary.org/obo/CHEBI_35674 3_STAR
CHEBI:35676 biolink:ChemicalSubstance benzazepine A group of two-ring heterocyclic compounds consisting of a benzene ring fused to an azepine ring. phenio.json benzazepine|benzazepines|benzoazepines http://purl.obolibrary.org/obo/CHEBI_35676 3_STAR
CHEBI:35677 biolink:ChemicalSubstance betahistine An aminoalkylpyridine that is pyridine substituted by a 2-(methylamino)ethyl group at position 2. It acts as a histamine agonist and a vasodilator, and is thought to improve the microcirculation of the labyrinth, resulting in reduced endolymphatic pressure. It is used (generally as the hydrochloride or mesylate salt) to reduce the symptoms of vertigo, tinnitus, and hearing loss associated with Meniere's disease. CAS:5638-76-6|DrugBank:DB06698|Drug_Central:346|HMDB:HMDB0015644|KEGG:D07522|LINCS:LSM-4044|PMID:20530654|PMID:22365373|PMID:22745706|PMID:7589314|Reaxys:112294|Wikipedia:Betahistine phenio.json 2-(beta-methylaminoethyl)pyridine|2-[2-(methylamino)ethyl]pyridine|N-methyl-2-(2-pyridinyl)ethanamine|N-methyl-2-pyridin-2-ylethanamine|N-methyl-2-pyridineethanamine|[2-(2-pyridyl)ethyl]methylamine|betahistina|betahistine|betahistinum http://purl.obolibrary.org/obo/CHEBI_35677 3_STAR
CHEBI:35678 biolink:ChemicalSubstance histamine agonist A drug that binds to and activates histamine receptors. Although they have been suggested for a variety of clinical applications, histamine agonists have so far been more widely used in research than therapeutically. phenio.json histamine agonists http://purl.obolibrary.org/obo/CHEBI_35678 3_STAR
CHEBI:35679 biolink:ChemicalSubstance antilipemic drug A substance used to treat hyperlipidemia (an excess of lipids in the blood). Wikipedia:Hypolipidemic_agent phenio.json antihyperlipemic|antihyperlipemics|antihyperlipidaemic agent|antihyperlipidaemic agents|antihyperlipidaemic drug|antihyperlipidaemic drugs|antihyperlipidemic|antihyperlipidemic agent|antihyperlipidemic agents|antihyperlipidemic drug|antihyperlipidemic drugs|antihyperlipidemics|antilipemic|antilipemic drugs|antilipemics|hypolipidemic agent|hypolipidemic agents|lipid-lowering agent|lipid-lowering agents|lipid-lowering drug|lipid-lowering drugs http://purl.obolibrary.org/obo/CHEBI_35679 3_STAR
CHEBI:3568 biolink:ChemicalSubstance cevimeline CAS:107233-08-9|DrugBank:DB00185|KEGG:D00661|KEGG:D07667|Wikipedia:Cevimeline phenio.json (2R)-2'-methylspiro[4-azabicyclo[2.2.2]octane-2,5'-[1,3]oxathiolane]|(2R)-2'-methylspiro[4-quinuclidine -2,5'-[1,3]oxathiolane]|2-Methyspiro(1,3-oxathiolane-5,3)quinuclidine|Sni 2011|cevimelina|cevimeline|cevimelinum http://purl.obolibrary.org/obo/CHEBI_3568 3_STAR
CHEBI:35680 biolink:ChemicalSubstance abietate Gmelin:385720 phenio.json abieta-7,13-dien-18-oate http://purl.obolibrary.org/obo/CHEBI_35680 3_STAR
CHEBI:35681 biolink:ChemicalSubstance secondary alcohol A secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it. KEGG:C00432|KEGG:C01612 phenio.json R-CHOH-R'|Secondary alcohol|a secondary alcohol|secondary alcohols http://purl.obolibrary.org/obo/CHEBI_35681 3_STAR
CHEBI:35682 biolink:ChemicalSubstance naphthol A member of the class of naphthols carrying a single hydroxy substituent at C-1 or C-2. A closed class. CAS:1321-67-1 phenio.json hydroxynaphthalene|naphthalenol|naphthol http://purl.obolibrary.org/obo/CHEBI_35682 3_STAR
CHEBI:35683 biolink:ChemicalSubstance aryl sulfide Any organic sulfide in which the sulfur is attached to at least one aromatic group. phenio.json aryl sulfide|aryl sulfides http://purl.obolibrary.org/obo/CHEBI_35683 3_STAR
CHEBI:35684 biolink:ChemicalSubstance antiplatyhelmintic drug An agent used to treat cestode, trematode, or other flatworm infestations in man or animals. phenio.json antiplatyhelmintic agent|antiplatyhelmintic drugs http://purl.obolibrary.org/obo/CHEBI_35684 3_STAR
CHEBI:35688 biolink:ChemicalSubstance benzimidazolecarboxylic acid A member of the class of benzimidazoles carrying a carboxy group at unspecified position. phenio.json benzimidazolecarboxylic acid|benzimidazolecarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35688 3_STAR
CHEBI:35689 biolink:ChemicalSubstance tetrazoles An azole in which the five-membered heterocyclic aromatic skeleton contains four N atoms and one C atom. phenio.json http://purl.obolibrary.org/obo/CHEBI_35689 3_STAR
CHEBI:35690 biolink:ChemicalSubstance cyclobutane-1,1-dicarboxylate(2-) Gmelin:405673 phenio.json cbdca|cbdca(2-)|cyclobutane-1,1-dicarboxylate http://purl.obolibrary.org/obo/CHEBI_35690 3_STAR
CHEBI:35691 biolink:ChemicalSubstance cyclobutane-1,1-dicarboxylic acid Beilstein:2046031|CAS:5445-51-2|Gmelin:82590 phenio.json 1,1-cyclobutanedicarboxylic acid|H2cbdca|cyclobutane-1,1-dicarboxylic acid http://purl.obolibrary.org/obo/CHEBI_35691 3_STAR
CHEBI:35692 biolink:ChemicalSubstance dicarboxylic acid Any carboxylic acid containing two carboxy groups. KEGG:C02028 phenio.json Dicarboxylic acid|dicarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35692 3_STAR
CHEBI:35693 biolink:ChemicalSubstance dicarboxylic acid anion phenio.json dicarboxylic acid anion|dicarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35693 3_STAR
CHEBI:35694 biolink:ChemicalSubstance cyclobutane-1,1-dicarboxylate(1-) Gmelin:486356 phenio.json 1-carboxycyclobutanecarboxylate|Hcbdca|Hcbdca(-)|hydrogen cyclobutane-1,1-dicarboxylate http://purl.obolibrary.org/obo/CHEBI_35694 3_STAR
CHEBI:35695 biolink:ChemicalSubstance dicarboxylic acid monoanion Any dicarboxylic acid anion that is a monoanion obtained by the deprotonation of only one of the carboxy groups of the dicarboxylic acid. phenio.json dicarboxylic acid monoanions http://purl.obolibrary.org/obo/CHEBI_35695 3_STAR
CHEBI:35696 biolink:ChemicalSubstance cobalt dichloride A cobalt salt in which the cobalt metal is in the +2 oxidation state and the counter-anion is chloride. It is used as an indicator for water in desiccants. CAS:7646-79-9|Gmelin:9298|LINCS:LSM-5958|PMID:1108802|PMID:11207315|PMID:16229947|PMID:16426290|PMID:16623025|PMID:16848139|PMID:18837732|PMID:21616561|PMID:23065176|PMID:23420403|PMID:23542142|PMID:23566873|PMID:23568501|PMID:23651544|PMID:23694759|PMID:29079364|PMID:7615984|PMID:8566016|Reaxys:3902826|Wikipedia:Cobalt(II)_chloride phenio.json CoCl2|Kobalt chlorid|Kobalt(II)-chlorid|Kobaltdichlorid|cobalt chloride|cobalt dichloride|cobalt muriate|cobalt(2+) chloride|cobalt(II) chloride|cobaltous chloride|cobaltous chloride anhydrous|cobaltous dichloride|dichlorocobalt http://purl.obolibrary.org/obo/CHEBI_35696 3_STAR
CHEBI:35697 biolink:ChemicalSubstance trans-cinnamic acid The E (trans) isomer of cinnamic acid CAS:140-10-3|CAS:621-82-9|Gmelin:3731|HMDB:HMDB0000930|KEGG:C00423|KEGG:C10438|KNApSAcK:C00000170|KNApSAcK:C00029961|MetaCyc:CPD-674|PDBeChem:TCA|PMID:17439666|PMID:21973101|Reaxys:1905952|Wikipedia:Cinnamic_acid phenio.json (2E)-3-phenyl-2-propenoic acid|(2E)-3-phenylacrylic acid|(2E)-3-phenylprop-2-enoic acid|(E)-3-phenyl-2-propenoic acid|(E)-Cinnamate|(E)-cinnamic acid|Benzeneacrylic acid|PHENYLETHYLENECARBOXYLIC ACID|trans-3-phenylacrylic acid|trans-Cinnamate|trans-Cinnamic acid|trans-Zimtsaeure|trans-beta-carboxystyrene http://purl.obolibrary.org/obo/CHEBI_35697 3_STAR
CHEBI:35698 biolink:ChemicalSubstance cobalt salt phenio.json cobalt salt|cobalt salts http://purl.obolibrary.org/obo/CHEBI_35698 3_STAR
CHEBI:35701 biolink:ChemicalSubstance ester A compound formally derived from an oxoacid RkE(=O)l(OH)m (l > 0) and an alcohol, phenol, heteroarenol, or enol by linking with formal loss of water from an acidic hydroxy group of the former and a hydroxy group of the latter. KEGG:C00287|Wikipedia:Ester phenio.json Ester|esters http://purl.obolibrary.org/obo/CHEBI_35701 3_STAR
CHEBI:35702 biolink:ChemicalSubstance diethyl ether An ether in which the oxygen atom is linked to two ethyl groups. CAS:60-29-7|Drug_Central:4417|Gmelin:25444|KEGG:C13240|KEGG:D01772|PMID:24443836|Reaxys:1696894|Wikipedia:Diethyl_ether phenio.json 1,1'-oxybisethane|1,1'-oxydiethane|3-oxapentane|Aether|Anesthetic ether|Diethyl ether|Diethylaether|Ether|Pronarcol|R-610|aether|aether pro narcosi|diethyl oxide|ethoxyethane|ethyl ether|ethyl oxide http://purl.obolibrary.org/obo/CHEBI_35702 3_STAR
CHEBI:35703 biolink:ChemicalSubstance xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means. KEGG:C06708|Wikipedia:Xenobiotic phenio.json Xenobiotic|xenobiotic|xenobiotic compounds|xenobiotics http://purl.obolibrary.org/obo/CHEBI_35703 3_STAR
CHEBI:35704 biolink:ChemicalSubstance N(2)-acetyl-L-lysine An acetyl-L-lysine where the acetyl group is located at the N(2)-posiiton. Beilstein:1726281|CAS:1946-82-3|Gmelin:747423|HMDB:HMDB0000446|KEGG:C12989|PMID:12212910|PMID:15131313|PMID:16274666|PMID:26800898|PMID:2897459|Reaxys:1726281 phenio.json (2S)-2-(acetylamino)-6-aminohexanoic acid|N(2)-acetyl-L-lysine|N(alpha)-acetyl-L-lysine|N(alpha)-acetyllysine|N-acetyl-L-lysine|N-alpha-acetyl-L-lysine|N2-Acetyl-L-lysine http://purl.obolibrary.org/obo/CHEBI_35704 3_STAR
CHEBI:35705 biolink:ChemicalSubstance immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. phenio.json immunosuppressant|immunosuppressive agents|inmunosupresor http://purl.obolibrary.org/obo/CHEBI_35705 3_STAR
CHEBI:35709 biolink:ChemicalSubstance thujane Beilstein:2496757|CAS:471-12-5|LIPID_MAPS_instance:LMPR0102120029 phenio.json 1-isopropyl-4-methylbicyclo[3.1.0]hexane|4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexane|4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexane|dihydrosabinene|thujane http://purl.obolibrary.org/obo/CHEBI_35709 3_STAR
CHEBI:35710 biolink:ChemicalSubstance pinane A monoterpene that is bicyclo[3.1.1]heptane substituted by methyl groups at positions 2, 6 and 6. CAS:473-55-2|LIPID_MAPS_instance:LMPR0102120026|Reaxys:1847301 phenio.json 2,6,6-trimethylbicyclo[3.1.1]heptane|dihydropinene|pinane http://purl.obolibrary.org/obo/CHEBI_35710 3_STAR
CHEBI:35711 biolink:ChemicalSubstance ursane Beilstein:3207208 phenio.json ursane http://purl.obolibrary.org/obo/CHEBI_35711 3_STAR
CHEBI:35713 biolink:ChemicalSubstance polycyclic alkane A polycyclic saturated hydrocarbon. phenio.json polycyclic alkanes|polycycloalkanes|von Baeyer hydrocarbons http://purl.obolibrary.org/obo/CHEBI_35713 3_STAR
CHEBI:35714 biolink:ChemicalSubstance polycyclic olefin A polycyclic hydrocarbon having any number of double bonds. phenio.json polycyclic olefins http://purl.obolibrary.org/obo/CHEBI_35714 3_STAR
CHEBI:35715 biolink:ChemicalSubstance nitro compound A compound having a nitro group, -NO2 (free valence on nitrogen), which may be attached to carbon, nitrogen (as in nitramines), or oxygen (as in nitrates), among other elements (in the absence of specification, C-nitro compounds are usually implied). phenio.json nitro compounds http://purl.obolibrary.org/obo/CHEBI_35715 3_STAR
CHEBI:35716 biolink:ChemicalSubstance C-nitro compound A nitro compound having the nitro group (-NO2) attached to a carbon atom. phenio.json C-nitro compounds http://purl.obolibrary.org/obo/CHEBI_35716 3_STAR
CHEBI:35717 biolink:ChemicalSubstance sedative A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety. phenio.json hypnotics|hypnotics and sedatives|sedative drug|sedatives|sedatives and hypnotics http://purl.obolibrary.org/obo/CHEBI_35717 3_STAR
CHEBI:35718 biolink:ChemicalSubstance antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. phenio.json antifungal|antifungal agents|antifungal drug|antifungal drugs|antifungals http://purl.obolibrary.org/obo/CHEBI_35718 3_STAR
CHEBI:35719 biolink:ChemicalSubstance sulfamic acids H2NS(=O)2OH (sulfamic acid) and its N-hydrocarbyl derivatives. KEGG:C01614 phenio.json sulfamic acids http://purl.obolibrary.org/obo/CHEBI_35719 3_STAR
CHEBI:35720 biolink:ChemicalSubstance enrofloxacin A quinolinemonocarboxylic acid that is 1,4-dihydroquinoline-3-carboxylic acid substituted by an oxo group at position 4, a fluoro group at position 6, a cyclopropyl group at position 1 and a 4-ethylpiperazin-1-yl group at position 7. It is a veterinary antibacterial agent used for the treatment of pets. CAS:93106-60-6|Drug_Central:1017|HMDB:HMDB0029861|KEGG:D02473|LINCS:LSM-3709|PMID:15967281|PMID:19376344|PMID:24380725|PMID:26963935|PMID:8828132|Patent:KR20130080422|Patent:RU2491922|Patent:US4659603|Reaxys:5307824|VSDB:1762|Wikipedia:Enrofloxacin phenio.json 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid|Baytril|Enrofloxacin http://purl.obolibrary.org/obo/CHEBI_35720 3_STAR
CHEBI:35721 biolink:ChemicalSubstance heparan sulfates phenio.json http://purl.obolibrary.org/obo/CHEBI_35721 1_STAR
CHEBI:35722 biolink:ChemicalSubstance sulfated glycosaminoglycan phenio.json glycosaminoglycan sulfate|glycosaminoglycan sulfates|sulfated glycosaminoglycans http://purl.obolibrary.org/obo/CHEBI_35722 3_STAR
CHEBI:35724 biolink:ChemicalSubstance carbohydrate sulfate phenio.json carbohydrate sulfates|carbohydrate sulphates http://purl.obolibrary.org/obo/CHEBI_35724 3_STAR
CHEBI:35725 biolink:ChemicalSubstance isopropyl ester Any carboxylic ester resulting from the formal condensation of a carboxylic acid with the hydroxy group of propan-2-ol. phenio.json propan-2-yl ester|propan-2-yl esters http://purl.obolibrary.org/obo/CHEBI_35725 3_STAR
CHEBI:35726 biolink:ChemicalSubstance aza-steroid An aza-steroid is a steroid where in the carbon skeleton a carbon atom is replaced by nitrogen. phenio.json aza-steroid|aza-steroids http://purl.obolibrary.org/obo/CHEBI_35726 3_STAR
CHEBI:35727 biolink:ChemicalSubstance triazoles An azole in which the five-membered heterocyclic aromatic skeleton contains three N atoms and two C atoms. phenio.json triazole compounds http://purl.obolibrary.org/obo/CHEBI_35727 3_STAR
CHEBI:35728 biolink:ChemicalSubstance lanthanoid coordination entity phenio.json lanthanoid coordination compounds|lanthanoid coordination entities|lanthanoid coordination entity http://purl.obolibrary.org/obo/CHEBI_35728 3_STAR
CHEBI:35729 biolink:ChemicalSubstance gadolinium molecular entity phenio.json gadolinium compounds|gadolinium molecular entities|gadolinium molecular entity http://purl.obolibrary.org/obo/CHEBI_35729 3_STAR
CHEBI:35730 biolink:ChemicalSubstance gadolinium coordination entity phenio.json gadolinium coordination compounds|gadolinium coordination entities|gadolinium coordination entity http://purl.obolibrary.org/obo/CHEBI_35730 3_STAR
CHEBI:35731 biolink:ChemicalSubstance osmium coordination entity phenio.json osmium coordination compounds|osmium coordination entities|osmium coordination entity http://purl.obolibrary.org/obo/CHEBI_35731 3_STAR
CHEBI:35732 biolink:ChemicalSubstance osmium molecular entity phenio.json osmium compounds|osmium molecular entities|osmium molecular entitiy http://purl.obolibrary.org/obo/CHEBI_35732 3_STAR
CHEBI:35733 biolink:ChemicalSubstance ruthenium coordination entity phenio.json ruthenium coordination compound|ruthenium coordination compounds|ruthenium coordination entities http://purl.obolibrary.org/obo/CHEBI_35733 3_STAR
CHEBI:35734 biolink:ChemicalSubstance ruthenium molecular entity phenio.json ruthenium compounds|ruthenium molecular entities http://purl.obolibrary.org/obo/CHEBI_35734 3_STAR
CHEBI:35735 biolink:ChemicalSubstance dicarboxylic acid monoamide KEGG:C04131 phenio.json dicarboxylic acid monoamides http://purl.obolibrary.org/obo/CHEBI_35735 3_STAR
CHEBI:35737 biolink:ChemicalSubstance monothiocarboxylic acid Compounds in which one oxygen of a carboxy group has been replaced by divalent sulfur; RC(=O)SH or RC(=S)OH. phenio.json monothiocarboxylic acid|monothiocarboxylic acids|thio acid http://purl.obolibrary.org/obo/CHEBI_35737 3_STAR
CHEBI:35739 biolink:ChemicalSubstance pentetic acid Beilstein:1810219|CAS:67-43-6|Drug_Central:2092|Gmelin:41509|LINCS:LSM-5524|Wikipedia:Pentetate phenio.json 1,1,4,7,7-diethylenetriaminepentaacetic acid|2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetic acid|Complexon V|DTPA|H5dtpa|N,N,N',N'',N''-diethylenetriaminepentaacetic acid|N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycine|N,N-bis{2-[bis(carboxymethyl)amino]ethyl}glycine|Titriplex V|[[(carboxymethyl)imino]bis(1,2-ethanediylnitrilo)tetraacetic acid]|diethylenetriamine-N,N,N',N'',N''-pentaacetic acid|diethylenetriaminepentaacetic acid|diethylenetriaminepentacetic acid|pentacarboxymethyldiethylenetriamine|pentetic acid http://purl.obolibrary.org/obo/CHEBI_35739 3_STAR
CHEBI:35740 biolink:ChemicalSubstance liposaccharide phenio.json liposaccharides http://purl.obolibrary.org/obo/CHEBI_35740 3_STAR
CHEBI:35741 biolink:ChemicalSubstance glycerolipid Any member of the group of lipids containing a common glycerol backbone to which at least one fatty acid-derived group is attached. PMID:18606873 phenio.json glycerolipids http://purl.obolibrary.org/obo/CHEBI_35741 3_STAR
CHEBI:35742 biolink:ChemicalSubstance tetracarboxylic acid An oxoacid containing four carboxy groups. phenio.json tetracarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35742 3_STAR
CHEBI:35743 biolink:ChemicalSubstance pentacarboxylic acid An oxoacid containing five carboxy groups. phenio.json pentacarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35743 3_STAR
CHEBI:35744 biolink:ChemicalSubstance carbocyclic fatty acid Any fatty acid containing a ring composed of carbon atoms. phenio.json carbocyclic fatty acids http://purl.obolibrary.org/obo/CHEBI_35744 3_STAR
CHEBI:35745 biolink:ChemicalSubstance pentetate(5-) Beilstein:3759285|CAS:14047-41-7|Gmelin:271646 phenio.json 2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetate|N,N,N',N'',N''-diethylenetriaminepentaacetate|N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycine ion(5-)|diethylenetriaminepentaacetate|dtpa|dtpa(5-) http://purl.obolibrary.org/obo/CHEBI_35745 3_STAR
CHEBI:35746 biolink:ChemicalSubstance fatty aldehyde An aldehyde formally arising from reduction of the carboxylic acid group of its corresponding fatty acid, having a carbonyl group at one end of the carbon chain. PMID:15210368|PMID:21341652|PMID:21347727 phenio.json a fatty aldehyde|fatty aldehydes http://purl.obolibrary.org/obo/CHEBI_35746 3_STAR
CHEBI:35748 biolink:ChemicalSubstance fatty acid ester A carboxylic ester in which the carboxylic acid component can be any fatty acid. phenio.json FAEE|a fatty acid ester|fatty acid esters http://purl.obolibrary.org/obo/CHEBI_35748 3_STAR
CHEBI:35752 biolink:ChemicalSubstance pentetate(3-) Beilstein:6546711|Gmelin:385714 phenio.json (bis{2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}amino)acetate|H2dtpa|H2dtpa(3-)|dihydrogen diethylenetriaminepentaacetate http://purl.obolibrary.org/obo/CHEBI_35752 3_STAR
CHEBI:35753 biolink:ChemicalSubstance tricarboxylic acid anion Any anion of a tricarboxylic acid formed by deprotonation of at least one carboxy group. phenio.json tricarboxylic acid anion|tricarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35753 3_STAR
CHEBI:35754 biolink:ChemicalSubstance tetracarboxylic acid anion Any anion of a tetracarboxylic acid formed by deprotonation of one or more carboxy groups. phenio.json tetracarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35754 3_STAR
CHEBI:35755 biolink:ChemicalSubstance pentacarboxylic acid anion A carboxylic acid anion formed by deprotonation of at least one of the five carboxy groups of any pentacarboxylic acid. phenio.json pentacarboxylic acid anion|pentacarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35755 3_STAR
CHEBI:35757 biolink:ChemicalSubstance monocarboxylic acid anion A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated. KEGG:C00060 phenio.json Carboxylate|Monocarboxylate|a monocarboxylate|monocarboxylates|monocarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35757 3_STAR
CHEBI:35759 biolink:ChemicalSubstance 1-monoglyceride A monoglyceride in which the acyl substituent is located at position 1. KEGG:C01885 phenio.json 1-Acylglycerol|1-Monoacylglycerol|1-monoacylglycerols|1-monoglycerides|Glyceride|Monoacylglycerol|Monoglyceride|a 1-acylglycerol http://purl.obolibrary.org/obo/CHEBI_35759 3_STAR
CHEBI:3576 biolink:ChemicalSubstance chanoclavine-I An organic tricyclic compound that is 1,3,4,5-tetrahydrobenzo[cd]indole which is substituted at position 4 by a methylamino group and at position 5 by a 3-hydroxy-2-methylprop-1-en-1-yl group (the 4R,5R,E diastereoisomer). It is a precursor of the tetracyclic ergolines agroclavine, elymoclavine and lysergic acid amide. CAS:2390-99-0|KEGG:C09131|KNApSAcK:C00001707|MetaCyc:CPD-12356|PMID:20039019|PMID:20102147|PMID:20118373|PMID:20435769|PMID:447932|PMID:5588727|Reaxys:28050 phenio.json (2E)-2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol|chanoclavin-I|chanoclavine http://purl.obolibrary.org/obo/CHEBI_3576 3_STAR
CHEBI:35760 biolink:ChemicalSubstance pentetate(4-) Gmelin:625543 phenio.json 2,2',2'',2'''-{[(carboxymethyl)imino]bis(ethane-2,1-diylnitrilo)}tetraacetate|Hdtpa|Hdtpa(4-)|hydrogen diethylenetriaminepentaacetate http://purl.obolibrary.org/obo/CHEBI_35760 3_STAR
CHEBI:35762 biolink:ChemicalSubstance pentetate(2-) Gmelin:625544 phenio.json 2,2'-([(carboxymethyl)imino]bis{ethane-2,1-diyl[(carboxymethyl)azanediyl]})diacetate|H3dtpa|H3dtpa(2-)|trihydrogen diethylenetriaminepentaacetate http://purl.obolibrary.org/obo/CHEBI_35762 3_STAR
CHEBI:35764 biolink:ChemicalSubstance pentetate(1-) phenio.json (bis{2-[bis(carboxymethyl)amino]ethyl}amino)acetate|H4dtpa|H4dtpa(-)|tetrahydrogen diethylenetriaminepentaacetate http://purl.obolibrary.org/obo/CHEBI_35764 3_STAR
CHEBI:35766 biolink:ChemicalSubstance glycerophosphoserine phenio.json glycerophosphoserines http://purl.obolibrary.org/obo/CHEBI_35766 3_STAR
CHEBI:35774 biolink:ChemicalSubstance CDP-glycerols phenio.json cytidine 5'-diphosphate-glycerols http://purl.obolibrary.org/obo/CHEBI_35774 3_STAR
CHEBI:35776 biolink:ChemicalSubstance arsenic oxoanion phenio.json arsenic oxoanion|arsenic oxoanions|oxoanions of arsenic http://purl.obolibrary.org/obo/CHEBI_35776 3_STAR
CHEBI:35779 biolink:ChemicalSubstance dicarboxylic acid diamide phenio.json dicarboxylic acid diamide|dicarboxylic acid diamides http://purl.obolibrary.org/obo/CHEBI_35779 3_STAR
CHEBI:35780 biolink:ChemicalSubstance phosphate ion A phosphorus oxoanion that is the conjugate base of phosphoric acid. phenio.json Pi|phosphate|phosphate ions http://purl.obolibrary.org/obo/CHEBI_35780 3_STAR
CHEBI:35782 biolink:ChemicalSubstance diphosphate ion phenio.json PPi|diphosphate ions http://purl.obolibrary.org/obo/CHEBI_35782 3_STAR
CHEBI:35783 biolink:ChemicalSubstance bornane Beilstein:1900804|CAS:464-15-3|DrugBank:DB04501|LIPID_MAPS_instance:LMPR0102120000|LIPID_MAPS_instance:LMPR0102120026 phenio.json 1,7,7-trimethylbicyclo[2.2.1]heptane|bornane|bornylane|camphane http://purl.obolibrary.org/obo/CHEBI_35783 3_STAR
CHEBI:35785 biolink:ChemicalSubstance sphingoid Sphinganine, its homologs and stereoisomers, and the hydroxy and unsaturated derivatives of these compounds. LIPID_MAPS_class:LMSP01 phenio.json Spd|sphingoid|sphingoid base|sphingoid bases|sphingoids http://purl.obolibrary.org/obo/CHEBI_35785 3_STAR
CHEBI:35786 biolink:ChemicalSubstance phosphosphingolipid phenio.json phosphosphingolipids|sphingophospholipid|sphingophospholipids http://purl.obolibrary.org/obo/CHEBI_35786 3_STAR
CHEBI:35788 biolink:ChemicalSubstance seco-steroid phenio.json seco-steroids http://purl.obolibrary.org/obo/CHEBI_35788 3_STAR
CHEBI:35789 biolink:ChemicalSubstance oxo steroid phenio.json keto steroids|ketosteroids|oxo steroids|oxosteroids http://purl.obolibrary.org/obo/CHEBI_35789 3_STAR
CHEBI:35790 biolink:ChemicalSubstance oxazole An azole based on a five-membered heterocyclic aromatic skeleton containing one N and one O atom. phenio.json oxazole|oxazoles http://purl.obolibrary.org/obo/CHEBI_35790 3_STAR
CHEBI:35794 biolink:ChemicalSubstance tetrapyrrole fundamental parent phenio.json tetrapyrrole fundamental parents http://purl.obolibrary.org/obo/CHEBI_35794 3_STAR
CHEBI:35795 biolink:ChemicalSubstance polyprenylbenzoquinone Any member of the class of 1,4-benzoquinones substituted by a polyprenyl-derived side-chain. phenio.json polyprenylbenzoquinones http://purl.obolibrary.org/obo/CHEBI_35795 3_STAR
CHEBI:35800 biolink:ChemicalSubstance nitroso compound Compounds having the nitroso group, -NO, attached to carbon, or to another element, most commonly nitrogen or oxygen. phenio.json nitroso compounds http://purl.obolibrary.org/obo/CHEBI_35800 3_STAR
CHEBI:35801 biolink:ChemicalSubstance nitroso group phenio.json -N=O|O=N-|nitroso http://purl.obolibrary.org/obo/CHEBI_35801 3_STAR
CHEBI:35803 biolink:ChemicalSubstance nitrosamine N-Nitroso amines, compounds of the structure R2NNO. Compounds RNHNO are not ordinarily isolable, but they, too, are nitrosamines. The name is a contraction of N-nitrosoamine and, as such, does not require the N locant. Wikipedia:Nitrosamine phenio.json N-Nitroso amines|nitrosamines http://purl.obolibrary.org/obo/CHEBI_35803 3_STAR
CHEBI:35804 biolink:ChemicalSubstance citrate(1-) A tricarboxylic acid monoanion that is the conjugate base of citric acid, obtained by deprotonation of one of the three carboxy groups. phenio.json H2cit|H2cit(-)|dihydrogen citrate http://purl.obolibrary.org/obo/CHEBI_35804 3_STAR
CHEBI:35808 biolink:ChemicalSubstance citrate(2-) A tricarboxylic acid dianion obtained by deprotonation of two of the three carboxy groups of citric acid. phenio.json Hcit|Hcit(2-)|hydrogen citrate http://purl.obolibrary.org/obo/CHEBI_35808 3_STAR
CHEBI:35812 biolink:ChemicalSubstance oxfendazole A member of the class of benzimidazoles that is fenbendazole in which the sulfur has been oxidised to the corresponding sulfoxide. Beilstein:761290|CAS:53716-50-0|LINCS:LSM-1466|VSDB:1757|Wikipedia:Oxfendazole phenio.json (5-(phenylsulfinyl)-1H-benzimidazol-2-yl)carbamic acid methyl ester|5-(phenylsulfinyl)-2-benzimidazolecarbamic acid methyl ester|5-phenylsulfinyl-2-carbomethoxyaminobenzimidazole|Fenbendazole sulfoxide|OFDZ|fenbendazole S-oxide|methyl [5-(phenylsulfinyl)-1H-benzimidazol-2-yl]carbamate http://purl.obolibrary.org/obo/CHEBI_35812 3_STAR
CHEBI:35816 biolink:ChemicalSubstance leprostatic drug A substance that suppresses Mycobacterium leprae, ameliorates the clinical manifestations of leprosy, and/or reduces the incidence and severity of leprous reactions. phenio.json leprostatic|leprostatic agent|leprostatic drugs http://purl.obolibrary.org/obo/CHEBI_35816 3_STAR
CHEBI:35818 biolink:ChemicalSubstance coccidiostat An agent useful in the treatment or prevention of coccidiosis in man or animals. phenio.json anticoccidial agent|coccidiostats http://purl.obolibrary.org/obo/CHEBI_35818 3_STAR
CHEBI:35819 biolink:ChemicalSubstance branched-chain fatty acid Any fatty acid in which the parent hydrocarbon chain has one or more alkyl substituents; a common component in animal and bacterial lipids. The fatty acyl chain is usually saturated and the substituent a methyl group; however, unsaturated BCFAs are found in marine animals, and branches other than methyl are found in microbial lipids. KEGG:C05996|PMID:18318842 phenio.json BCFA|BCFAs|Branched chain fatty acid|branched fatty acid|branched fatty acids|branched-chain fatty acids http://purl.obolibrary.org/obo/CHEBI_35819 3_STAR
CHEBI:35820 biolink:ChemicalSubstance antiprotozoal drug Any antimicrobial drug which is used to treat or prevent protozoal infections. Wikipedia:Antiprotozoal_agent phenio.json antiprotozoal agent|antiprotozoal agents|antiprotozoal drugs http://purl.obolibrary.org/obo/CHEBI_35820 3_STAR
CHEBI:35821 biolink:ChemicalSubstance anticholesteremic drug A substance used to lower plasma cholesterol levels. phenio.json anticholesteremic|anticholesteremic agent|anticholesteremic drugs|antihypercholesterolemic|antihypercholesterolemic agent|antihypercholesterolemic agents|antihypercholesterolemic drug|antihypercholesterolemic drugs|antihypercholesterolemics|cholesterol inhibitor|cholesterol-lowering agent|cholesterol-lowering agents|cholesterol-lowering drug|cholesterol-lowering drugs|hypocholesteremic agent http://purl.obolibrary.org/obo/CHEBI_35821 3_STAR
CHEBI:35825 biolink:ChemicalSubstance mandelic acid A 2-hydroxy monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by phenyl and hydroxyl groups. Beilstein:510011|CAS:90-64-2|Drug_Central:1629|Gmelin:218213|HMDB:HMDB0000703|PMID:22770225|PMID:24278065|PMID:4813698|Reaxys:510011|Wikipedia:Mandelic_acid phenio.json (RS)-Mandelic acid|2-Hydroxy-2-phenylacetic acid|2-Hydroxy-2-phenylethanoic acid|DL-Mandelic acid|Mandelsaeure|alpha-hydroxybenzeneacetic acid|hydroxy(phenyl)acetic acid http://purl.obolibrary.org/obo/CHEBI_35825 3_STAR
CHEBI:35826 biolink:ChemicalSubstance elemental arsenic phenio.json http://purl.obolibrary.org/obo/CHEBI_35826 3_STAR
CHEBI:35827 biolink:ChemicalSubstance monoatomic arsenic phenio.json atomic arsenic http://purl.obolibrary.org/obo/CHEBI_35827 3_STAR
CHEBI:35828 biolink:ChemicalSubstance arsenic(3+) Gmelin:40114 phenio.json As(3+)|arsenic(3+)|arsenic(3+) ion|arsenic(III) cation http://purl.obolibrary.org/obo/CHEBI_35828 3_STAR
CHEBI:3583 biolink:ChemicalSubstance Chebulagic acid CAS:23094-71-5|KEGG:C10214|KNApSAcK:C00002911 phenio.json Chebulagic acid http://purl.obolibrary.org/obo/CHEBI_3583 2_STAR
CHEBI:35841 biolink:ChemicalSubstance uricosuric drug A gout suppressant that acts directly on the renal tubule to increase the excretion of uric acid, thus reducing its concentrations in plasma. phenio.json uricosuric agent|uricosuric drugs http://purl.obolibrary.org/obo/CHEBI_35841 3_STAR
CHEBI:35842 biolink:ChemicalSubstance antirheumatic drug A drug used to treat rheumatoid arthritis. phenio.json anti-rheumatic drugs|antirheumatic agent|antirheumatic drugs http://purl.obolibrary.org/obo/CHEBI_35842 3_STAR
CHEBI:35843 biolink:ChemicalSubstance arsine oxides H3As=O and its hydrocarbyl derivatives. phenio.json arsine oxides http://purl.obolibrary.org/obo/CHEBI_35843 3_STAR
CHEBI:35845 biolink:ChemicalSubstance gout suppressant A drug that increases uric acid excretion by the kidney (uricosuric drug), decreases uric acid production (antihyperuricemic), or alleviates the pain and inflammation of acute attacks of gout. phenio.json gout suppressants http://purl.obolibrary.org/obo/CHEBI_35845 3_STAR
CHEBI:35846 biolink:ChemicalSubstance renal agent A drug used for its effect on the kidneys' regulation of body fluid composition and volume. phenio.json renal agents http://purl.obolibrary.org/obo/CHEBI_35846 3_STAR
CHEBI:35847 biolink:ChemicalSubstance tenidap CAS:120210-48-2|Drug_Central:4728 phenio.json (3Z)-5-chloro-3-[hydroxy(2-thienyl)methylidene]-2-oxo-2,3-dihydro-1H-indole-1-carboxamide|(Z)-5-Chloro-3-(alpha-hydroxy-2-thenylidene)-2-oxo-1-indolinecarboxamide|Tenidap http://purl.obolibrary.org/obo/CHEBI_35847 3_STAR
CHEBI:35850 biolink:ChemicalSubstance sulfone An organosulfur compound having the structure RS(=O)2R (R =/= H). phenio.json sulfone|sulfones http://purl.obolibrary.org/obo/CHEBI_35850 3_STAR
CHEBI:35852 biolink:ChemicalSubstance transplatin A diamminedichloroplatinum compound in which the two ammine ligands and two chloro ligands are oriented in a trans planar configuration around the central platinum ion. Unlike its cis-isomer, cisplatin, it does not exhibit any useful pharmacological effect and is toxic. CAS:14913-33-8|Gmelin:2520|PMID:1855275|PMID:19945168|PMID:20459174|PMID:23584074|PMID:23664917|PMID:23770803|Reaxys:11334149 phenio.json (SP-4-1)-diamminedichloridoplatinum|(SP-4-1)-diamminedichloroplatinum|trans-DDP|trans-Diamminedichloroplatinum|trans-Dichlorodiammine platinum|trans-Platinum(II) ammonium chloride|trans-Platinum(II) diamminedichloride|trans-Platinumdiammine dichloride|trans-diamminedichloridoplatinum(II)|trans-diamminedichloroplatinum(II)|trans-platin http://purl.obolibrary.org/obo/CHEBI_35852 3_STAR
CHEBI:35854 biolink:ChemicalSubstance valacyclovir Beilstein:8160931|CAS:124832-26-4|Drug_Central:2798|LINCS:LSM-5571|Wikipedia:Valacyclovir phenio.json 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate|L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine|L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester http://purl.obolibrary.org/obo/CHEBI_35854 3_STAR
CHEBI:35855 biolink:ChemicalSubstance L-valyl ester Any alpha-amino acid ester that has L-valine as the amino acid component. phenio.json L-valinyl ester|L-valinyl esters|L-valyl esters http://purl.obolibrary.org/obo/CHEBI_35855 3_STAR
CHEBI:35856 biolink:ChemicalSubstance lipoxygenase inhibitor A compound or agent that combines with lipoxygenase and thereby prevents its substrate-enzyme combination with arachidonic acid and the formation of the icosanoid products hydroxyicosatetraenoic acid and various leukotrienes. phenio.json lipooxygenase inhibitor|lipoxygenase inhibitors http://purl.obolibrary.org/obo/CHEBI_35856 3_STAR
CHEBI:35857 biolink:ChemicalSubstance benzothiophene phenio.json benzothiophene http://purl.obolibrary.org/obo/CHEBI_35857 3_STAR
CHEBI:35858 biolink:ChemicalSubstance 1-benzothiophene Beilstein:80580|CAS:95-15-8|Gmelin:142782 phenio.json 1-benzothiophene|1-thiaindene|benzo[b]thiophene|benzothiofuran|thianaphthene http://purl.obolibrary.org/obo/CHEBI_35858 3_STAR
CHEBI:35859 biolink:ChemicalSubstance zomepirac Beilstein:487946|CAS:33369-31-2|DrugBank:DB04828|Drug_Central:2871|LINCS:LSM-6673|Wikipedia:Zomepirac phenio.json 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid|Zomepirac|[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid http://purl.obolibrary.org/obo/CHEBI_35859 3_STAR
CHEBI:35862 biolink:ChemicalSubstance bacitracin A A homodetic cyclic peptide consisting of (4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid attached head-to-tail to L-leucyl,D-glutamyl, L-lysyl, D-ornityl, L-isoleucyl, D-phenylalanyl, L-histidyl. D-aspartyl and L-asparaginyl residues coupled in sequence and cyclised by condensation of the side-chain amino group of the L-lysyl residue with the C-terminal carboxylic acid group. It is the major component of bacitracin. CAS:22601-59-8|KEGG:C15482|Reaxys:8969478 phenio.json Bacitracin A2a|Bacitracin F, 1-(N-((2-(1-amino-2-methylbutyl)-4,5-dihydro-4-thiazolyl)carbonyl)-l-leucine)-|N-({(4R)-2-[(1S,2S)-1-amino-2-methylbutyl]-4,5-dihydro-1,3-thiazol-4-yl}carbonyl)-L-leucyl-D-alpha-glutamyl-N-[(3S,6R,9S,12R,15S,18R,21S)-3-(2-amino-2-oxoethyl)-18-(3-aminopropyl)-12-benzyl-15-[(2S)-butan-2-yl]-6-(carboxymethyl)-9-(1H-imidazol-4-ylmethyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclopentacosan-21-yl]-L-isoleucinamide http://purl.obolibrary.org/obo/CHEBI_35862 3_STAR
CHEBI:35865 biolink:ChemicalSubstance 5alpha-cholest-7-ene Beilstein:3209683 phenio.json 5alpha-cholest-7-ene http://purl.obolibrary.org/obo/CHEBI_35865 3_STAR
CHEBI:35868 biolink:ChemicalSubstance hydroxy monocarboxylic acid Any monocarboxylic acid which also contains a separate (alcoholic or phenolic) hydroxy substituent. phenio.json hydroxy acid|hydroxy monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35868 3_STAR
CHEBI:35871 biolink:ChemicalSubstance oxo monocarboxylic acid Any monocarboxylic acid having at least one additional oxo functional group. phenio.json oxo monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35871 3_STAR
CHEBI:35873 biolink:ChemicalSubstance carboxylic anhydride Anhydrides derived from carboxylic acids. phenio.json carboxylic anhydride|carboxylic anhydrides http://purl.obolibrary.org/obo/CHEBI_35873 3_STAR
CHEBI:35874 biolink:ChemicalSubstance imidazo[1,2-c]pyrimidine Beilstein:606563 phenio.json imidazo[1,2-c]pyrimidine http://purl.obolibrary.org/obo/CHEBI_35874 3_STAR
CHEBI:35875 biolink:ChemicalSubstance imidazopyrimidine phenio.json imidazopyrimidines http://purl.obolibrary.org/obo/CHEBI_35875 3_STAR
CHEBI:35881 biolink:ChemicalSubstance pnictogen hydride phenio.json pnictogen hydride|pnictogen hydrides http://purl.obolibrary.org/obo/CHEBI_35881 3_STAR
CHEBI:35892 biolink:ChemicalSubstance phosphoranes lambda(5)-phosphane and its hydrocarbyl derivatives. By extension the term also applies to phosphonium ylides. phenio.json phosphoranes http://purl.obolibrary.org/obo/CHEBI_35892 3_STAR
CHEBI:35896 biolink:ChemicalSubstance S-(2-hydroxyethyl)glutathione A Glu-Cys-Gly tripeptide derivative of glutathione containing a 2-hydroxyethyl substituent on the S of the Cys residue. CAS:28747-20-8|KEGG:C14875 phenio.json L-gamma-glutamyl-S-(2-hydroxyethyl)-L-cysteinylglycine|S-(2-Hydroxyethyl)glutathione|S-(2-Hydroxyethyl)gsh http://purl.obolibrary.org/obo/CHEBI_35896 3_STAR
CHEBI:35897 biolink:ChemicalSubstance but-3-enoic acid That isomer of butenoic acid having the double bond at position C-3. CAS:625-38-7|Gmelin:362641|LIPID_MAPS_instance:LMFA01030004|Reaxys:1699159 phenio.json 2-propenylcarboxylic acid|3-buten-1-oic acid|3-butenoic acid|Vinylessigsaeure|allylic acid|beta-butenoic acid|but-3-enoic acid|ethenylacetic acid|vinyl acetic acid|vinylacetic acid http://purl.obolibrary.org/obo/CHEBI_35897 3_STAR
CHEBI:35899 biolink:ChemicalSubstance crotonate The conjugate base of crotonic acid; used by some bacterial species as a carbon and energy source. MetaCyc:CROTONATE|PMID:7387331|PMID:8867639 phenio.json (2E)-2-butenoate|(2E)-but-2-enoate|(E)-2-butenoate|(E)-crotonate|2-butenoate|3-methylacrylate|alpha-butenoate|alpha-crotonate|beta-methacrylate|beta-methylacrylate|trans-2-butenoate|trans-crotonate http://purl.obolibrary.org/obo/CHEBI_35899 3_STAR
CHEBI:35900 biolink:ChemicalSubstance but-3-enoate A butenoate having the double bond at the 3-position. Beilstein:4126564|Gmelin:324288 phenio.json 2-propenylcarboxylate|3-butenoate|beta-butenoate|but-3-enoate http://purl.obolibrary.org/obo/CHEBI_35900 3_STAR
CHEBI:35902 biolink:ChemicalSubstance oxo monocarboxylic acid anion phenio.json oxo monocarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35902 3_STAR
CHEBI:35903 biolink:ChemicalSubstance oxo carboxylic acid anion Any carboxylic acid anion containing at least one oxo group. phenio.json oxo carboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35903 3_STAR
CHEBI:35907 biolink:ChemicalSubstance glutarate(1-) A dicarboxylic acid monoanion that is the conjugate base of glutaric acid. Beilstein:3904478|Gmelin:326031|Reaxys:3904478 phenio.json 4-carboxybutanoate|hydrogen glutarate http://purl.obolibrary.org/obo/CHEBI_35907 3_STAR
CHEBI:35908 biolink:ChemicalSubstance glutaramate A monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of glutaramic acid. phenio.json 4-carbamoylbutanoate|4-carbamoylbutyrate|5-amino-5-oxopentanoate http://purl.obolibrary.org/obo/CHEBI_35908 3_STAR
CHEBI:35910 biolink:ChemicalSubstance 2-oxo monocarboxylic acid Any monocarboxylic acid having a 2-oxo substituent. KEGG:C00161 phenio.json 2-Oxo acid|2-Oxocarboxylate|2-oxo carboxylic acids|2-oxo monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35910 3_STAR
CHEBI:35911 biolink:ChemicalSubstance aconitane phenio.json aconitane http://purl.obolibrary.org/obo/CHEBI_35911 3_STAR
CHEBI:35915 biolink:ChemicalSubstance sterol ester A steroid ester obtained by formal condensation of the carboxy group of any carboxylic acid with the 3-hydroxy group of a sterol. KEGG:C01958 phenio.json 3-hydroxysteroid ester|3-hydroxysteroid esters|Sterol ester|Steryl ester|a sterol ester http://purl.obolibrary.org/obo/CHEBI_35915 3_STAR
CHEBI:35923 biolink:ChemicalSubstance hydroperoxide A monosubstitution product of hydrogen peroxide, HOOH. phenio.json hydroperoxide|hydroperoxides http://purl.obolibrary.org/obo/CHEBI_35923 3_STAR
CHEBI:35924 biolink:ChemicalSubstance peroxol Monosubstitution products of hydrogen peroxide HOOH, having the skeleton ROOH, in which R is any organyl group. phenio.json a hydroperoxide|hydroperoxides|organic hydroperoxides|peroxols http://purl.obolibrary.org/obo/CHEBI_35924 3_STAR
CHEBI:35930 biolink:ChemicalSubstance alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-D-Galp A branched amino trisaccharide consisting of D-galactose having an alpha-L-fucosyl residue at the 2-position and an N-acetyl-alpha-D-galactosaminyl residue at the 3-position. Beilstein:6026899|GlyGen:G55958KV|GlyTouCan:G55958KV|PMID:1373469|PMID:15864747|PMID:16133833|PMID:17991151|PMID:19913595|PMID:2713870|PMID:7688662|Reaxys:6026899 phenio.json 2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-D-galactopyranose|2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-D-galactopyranose|2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)]-D-galactose|2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->2)]-D-galactopyranose|A-tri|Atri|Fucalpha1-2(GalNAcalpha1-3)Gal|GalNAc-alpha1,3(Fuc-alpha1,2)Gal|GalNAcalpha1-3(Fucalpha1-2)Gal|GalNAcalpha1->3(LFucalpha1->2)Gal|N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-D-galactose|WURCS=2.0/3,3,2/[a2112h-1x_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3/a2-b1_a3-c1|alpha-D-GalNAc-(1->3)-[alpha-L-Fuc-(1->2)]-D-Gal|alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-D-Galp|alpha-D-N-acetylgalactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-D-galactose|alpha-L-Fuc-(1->2)-[alpha-D-GalNAc-(1->3)]-D-Gal|alpha-L-Fucp-(1->2)-[alpha-D-GalpNAc-(1->3)]-D-Galp|alpha-L-fucosyl-(1->2)-[alpha-D-N-acetylgalactosaminyl-(1->3)]-D-galactose http://purl.obolibrary.org/obo/CHEBI_35930 3_STAR
CHEBI:35931 biolink:ChemicalSubstance delta-amino acid A non-proteinogenic amino acid in which the amino group is located on the carbon atom at the position delta to the carboxy group. phenio.json delta-amino acids http://purl.obolibrary.org/obo/CHEBI_35931 3_STAR
CHEBI:35932 biolink:ChemicalSubstance 3-methyl-2-oxovaleric acid A 2-oxo monocarboxylic acid that is valeric acid carrying oxo- and methyl substituents at C-2 and C-3, respectively. An alpha-keto acid analogue and metabolite of isoleucine in man, animals and bacteria. Used as a clinical marker for maple syrup urine disease (MSUD). CAS:1460-34-0|Gmelin:971983|HMDB:HMDB0000491|KEGG:C03465|PMID:1638756|PMID:17190852|PMID:759179|Reaxys:1098987 phenio.json 2-Oxo-3-methyl-n-valeric acid|2-Oxo-3-methylpentanoic acid|2-Oxo-3-methylvalerate|2-Oxo-3-methylvaleric acid|2-Oxoisoleucine|2-oxokolavenic acid|3-Methyl-2-oxopentanoic acid|3-ethyl-3-methylpyruvic acid|3-methyl-2-oxopentanoic acid|3-methyl-2-oxovaleric acid|alpha-Oxo-beta-methylvaleric acid|alpha-keto-beta-methyl-n-valeric acid|alpha-keto-beta-methylvaleric acid|alpha-oxo-beta-methyl-n-valeric acid|alpha-oxo-beta-methylvaleric acid|ketoisoleucine http://purl.obolibrary.org/obo/CHEBI_35932 3_STAR
CHEBI:35933 biolink:ChemicalSubstance cinchonan Beilstein:88420 phenio.json cinchonan http://purl.obolibrary.org/obo/CHEBI_35933 3_STAR
CHEBI:35935 biolink:ChemicalSubstance pent-4-enoate A pentenoate having the double bond at the 4-position. PMID:1493592|Reaxys:3536584 phenio.json 4-pentenoate|Allylacetat|allylacetate|pent-4-enoate http://purl.obolibrary.org/obo/CHEBI_35935 3_STAR
CHEBI:35936 biolink:ChemicalSubstance pent-4-enoic acid A pentenoic acid having the double bond at position 4. CAS:591-80-0|LIPID_MAPS_instance:LMFA01030007|PMID:1936211|PMID:2730684|PMID:6712730|Reaxys:1633696 phenio.json 3-vinylpropionic acid|4-Pentensaeure|4-penten-1-oic acid|4-pentenic acid|4-pentenoic acid|Allylessigsaeure|Delta(4)-pentenoic acid|allyl acetic acid|allylacetic acid|pent-4-enoic acid http://purl.obolibrary.org/obo/CHEBI_35936 3_STAR
CHEBI:35940 biolink:ChemicalSubstance protirelin A tripeptide composed of L-pyroglutamyl, L-histidyl and L-prolinamide residues joined in sequence. CAS:24305-27-9|Drug_Central:2316|HMDB:HMDB0005763|KEGG:C03958|KEGG:D00176|PMID:14087521|PMID:4985794|Reaxys:903432|Wikipedia:Protirelin phenio.json 5-oxo-L-prolyl-L-histidyl-L-prolinamide|L-Pyroglutamyl-L-histidyl-L-prolineamide|Protirelin|TRH|TSH-releasing factor|TSH-releasing hormone|Thyroliberin|Thyrotropic releasing hormone|Thyrotropic-releasing factor|Thyrotropin releasing hormone|Thyrotropin-releasing factor http://purl.obolibrary.org/obo/CHEBI_35940 3_STAR
CHEBI:35941 biolink:ChemicalSubstance serotonergic agonist An agent that has an affinity for serotonin receptors and is able to mimic the effects of serotonin by stimulating the physiologic activity at the cell receptors. Serotonin agonists are used as antidepressants, anxiolytics, and in the treatment of migraine disorders. phenio.json 5-HT agonist|5-hydroxytryptamine agonist|serotonergic agonists|serotonin agonist|serotonin agonists http://purl.obolibrary.org/obo/CHEBI_35941 3_STAR
CHEBI:35942 biolink:ChemicalSubstance neurotransmitter agent A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function. phenio.json neurotransmitter agents http://purl.obolibrary.org/obo/CHEBI_35942 3_STAR
CHEBI:35950 biolink:ChemicalSubstance 4-oxo monocarboxylic acid phenio.json 4-oxo acid|4-oxo monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35950 3_STAR
CHEBI:35951 biolink:ChemicalSubstance dioxo monocarboxylic acid Any monocarboxylic acid containing two ketonic or aldehydic oxo groups. phenio.json dioxo monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35951 3_STAR
CHEBI:35952 biolink:ChemicalSubstance 5-oxo monocarboxylic acid phenio.json 5-oxo acid|5-oxo monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35952 3_STAR
CHEBI:35958 biolink:ChemicalSubstance epsilon-amino acid An amino acid in which the amino group is located on the carbon atom at the position epsilon to the carboxy group. phenio.json epsilon-amino acids http://purl.obolibrary.org/obo/CHEBI_35958 3_STAR
CHEBI:35960 biolink:ChemicalSubstance 6-oxo monocarboxylic acid phenio.json 6-oxo monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35960 3_STAR
CHEBI:35962 biolink:ChemicalSubstance sorbic acid A hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. Beilstein:1741831|CAS:22500-92-1|PMID:11206806 phenio.json (2-butenylidene) acetic acid|2,4-Hexadiensaeure|2,4-SA|2,4-hexadienoic acid|2-propenylacrylic acid|SA|Sorbinsaeure|crotylidene acetic acid|hexa-2,4-dienoic acid http://purl.obolibrary.org/obo/CHEBI_35962 3_STAR
CHEBI:35964 biolink:ChemicalSubstance penta-2,4-dienoic acid A pentadienoic acid with the double bonds at positions 2 and 4. CAS:626-99-3 phenio.json 1,3-butadiene-1-carboxylic acid|1,3-butadiene-1-carboxylic acids|2,4-pentadienoic acid|but-1,3-diene-1-carboxylic acid|but-1,3-diene-1-carboxylic acids|penta-2,4-dienoic acid|penta-2,4-dienoic acids http://purl.obolibrary.org/obo/CHEBI_35964 3_STAR
CHEBI:35969 biolink:ChemicalSubstance 3-hydroxy monocarboxylic acid A hydroxy monocarboxylic acid that has a hydroxy group beta to the carboxy group. phenio.json 3-hydroxy acid|3-hydroxy monocarboxylic acids|beta-hydroxy acid|beta-hydroxy acids|beta-hydroxy carboxylic acid|beta-hydroxy carboxylic acids http://purl.obolibrary.org/obo/CHEBI_35969 3_STAR
CHEBI:35970 biolink:ChemicalSubstance 4-hydroxy monocarboxylic acid A hydroxy monocarboxylic acid which has a hydroxy group located gamma to the carboxy group. phenio.json 4-hydroxy monocarboxylic acids|gamma-hydroxy monocarboxylic acid|gamma-hydroxy monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35970 3_STAR
CHEBI:35971 biolink:ChemicalSubstance 6-hydroxy monocarboxylic acid phenio.json 6-hydroxy monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35971 3_STAR
CHEBI:35972 biolink:ChemicalSubstance dihydroxy monocarboxylic acid Any hydroxy monocarboxylic acid carrying at least two hydroxy groups. phenio.json dihydroxy monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35972 3_STAR
CHEBI:35973 biolink:ChemicalSubstance 3-oxo monocarboxylic acid anion An oxo monocarboxylic acid anion having the oxo group located at the 3-position (R = H or organyl group). phenio.json 3-oxo monocarboxylic acid anions|a 3-oxo acid http://purl.obolibrary.org/obo/CHEBI_35973 3_STAR
CHEBI:35974 biolink:ChemicalSubstance 4-oxo monocarboxylic acid anion phenio.json 4-oxo monocarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35974 3_STAR
CHEBI:35975 biolink:ChemicalSubstance 5-oxo monocarboxylic acid anion phenio.json 5-oxo monocarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35975 3_STAR
CHEBI:35976 biolink:ChemicalSubstance 6-oxo monocarboxylic acid anion phenio.json 6-oxo monocarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35976 3_STAR
CHEBI:35979 biolink:ChemicalSubstance dioxo monocarboxylic acid anion An oxo monocarboxylic acid anion that is the conjugate base of dioxo monocarboxylic acid. phenio.json dioxo monocarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35979 3_STAR
CHEBI:35983 biolink:ChemicalSubstance 7-oxo monocarboxylic acid phenio.json 7-oxo monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_35983 3_STAR
CHEBI:35984 biolink:ChemicalSubstance 7-oxo monocarboxylic acid anion phenio.json 7-oxo monocarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_35984 3_STAR
CHEBI:35987 biolink:ChemicalSubstance diamino acid Any amino acid carrying two amino groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_35987 3_STAR
CHEBI:35990 biolink:ChemicalSubstance bridged compound A polycyclic compound that contains more than one ring with at least two common atoms (also known as bridgehead carbons) that are not adjacent to each other. phenio.json bridged compounds http://purl.obolibrary.org/obo/CHEBI_35990 3_STAR
CHEBI:35992 biolink:ChemicalSubstance penams Natural and synthetic antibiotics containing the 4-thia-1-azabicyclo[3.2.0]heptan-7-one structure, generally assumed to have the 5R configuration unless otherwise specified. phenio.json penams http://purl.obolibrary.org/obo/CHEBI_35992 3_STAR
CHEBI:35995 biolink:ChemicalSubstance cephams Natural and synthetic antibiotics containing the 5-thia-1-azabicyclo[4.2.0]octan-8-one nucleus; generally assumed to have the 6R configuration, unless otherwise specified. phenio.json cephams http://purl.obolibrary.org/obo/CHEBI_35995 3_STAR
CHEBI:35998 biolink:ChemicalSubstance tridecane A straight chain alkane containing 13 carbon atoms. It forms a component of the essential oils isolated from plants such as Abelmoschus esculentus. Beilstein:1733089|CAS:629-50-5|Gmelin:1222217|HMDB:HMDB0034284|KEGG:C13834|LIPID_MAPS_instance:LMFA11000001|PDBeChem:TRD|PMID:23768323|PMID:24010324|Reaxys:1733089|Wikipedia:Tridecane phenio.json CH3-[CH2]11-CH3|TRIDECANE|Tridecane|Tridekan|n-tridecane|tridecane http://purl.obolibrary.org/obo/CHEBI_35998 3_STAR
CHEBI:36003 biolink:ChemicalSubstance decenoic acid Any C10 monounsaturated fatty acid having a double bond in the carbon backbone. PMID:16377902|PMID:4300983 phenio.json 10:1|C10:1|decenoic acid|decenoic acids http://purl.obolibrary.org/obo/CHEBI_36003 3_STAR
CHEBI:36004 biolink:ChemicalSubstance tetradecenoic acid Any C14 straight-chain monounsaturated fatty acid having one C=C double bond. PMID:4955727|PMID:7650027 phenio.json 14:1|C14:1|Tetradecensaeure|Tetradecensaeuren|acide tetradecenoique|acides tetradecenoiques|fatty acid 14:1|tetradecenoic acid|tetradecenoic acids http://purl.obolibrary.org/obo/CHEBI_36004 3_STAR
CHEBI:36005 biolink:ChemicalSubstance docosahexaenoic acid Any C22 polyunsaturated fatty acid containing six double bonds. phenio.json DHA|docosahexaenoic acid|docosahexaenoic acids http://purl.obolibrary.org/obo/CHEBI_36005 3_STAR
CHEBI:36006 biolink:ChemicalSubstance icosapentaenoic acid Any straight-chain, C20 polyunsaturated fatty acid having five C=C double bonds. phenio.json 20:5|C20:5|eicosapentaenoic acid|eicosapentaenoic acids|icosapentaenoic acid|icosapentaenoic acids http://purl.obolibrary.org/obo/CHEBI_36006 3_STAR
CHEBI:36007 biolink:ChemicalSubstance trans-stilbene The trans-isomer of stilbene. Beilstein:1616740|CAS:103-30-0|Gmelin:4381|KNApSAcK:C00037932|PMID:32201774|PMID:32662469|PMID:33564098|Wikipedia:(E)-Stilbene phenio.json (E)-1,2-diphenylethylene|(E)-stilbene|1,1'-(E)-ethene-1,2-diyldibenzene|1,1'-[(1E)-ethene-1,2-diyl]dibenzene|[(E)-2-phenylethenyl]benzene|trans-1,2-diphenylethylene|trans-alpha,beta-diphenylethylene|trans-stilbene http://purl.obolibrary.org/obo/CHEBI_36007 3_STAR
CHEBI:36009 biolink:ChemicalSubstance omega-6 fatty acid A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the n-6 position, i.e., the sixth bond from the methyl end of the fatty acid. PMID:19035453|PMID:19136835 phenio.json omega-6 fatty acid|omega-6 fatty acids http://purl.obolibrary.org/obo/CHEBI_36009 3_STAR
CHEBI:36011 biolink:ChemicalSubstance pinosylvin Beilstein:2047772|CAS:102-61-4|KEGG:C01745|LINCS:LSM-24964 phenio.json 5-(2-phenylethenyl)-1,3-benzenediol|5-(2-phenylethenyl)benzene-1,3-diol|5-(2-phenylvinyl)benzene-1,3-diol|Pinosylvin http://purl.obolibrary.org/obo/CHEBI_36011 3_STAR
CHEBI:36016 biolink:ChemicalSubstance chloroethanes A chloroalkane that is ethane in which one or more of the hydrogens is replaced by chlorine. phenio.json http://purl.obolibrary.org/obo/CHEBI_36016 3_STAR
CHEBI:36021 biolink:ChemicalSubstance octadec-9-enoic acid An octadecenoic acid with a double bond at C-9. CAS:2027-47-6|PMID:20110887|PMID:22908585|PMID:23578483|PMID:24478215|Reaxys:1726541 phenio.json 18:1, n-9|9-octadecenoic acid|C18:1, n-9|Delta(9)-octadecenoic acid|octadec-9-enoic acid http://purl.obolibrary.org/obo/CHEBI_36021 3_STAR
CHEBI:36024 biolink:ChemicalSubstance trideca-2,6-dienoic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_36024 1_STAR
CHEBI:36025 biolink:ChemicalSubstance octadeca-9,11-dienoic acid phenio.json 9,11-octadecadienoic acid http://purl.obolibrary.org/obo/CHEBI_36025 3_STAR
CHEBI:36027 biolink:ChemicalSubstance stilbenol Any stilbenoid with at least one phenolic group. phenio.json stilbenol http://purl.obolibrary.org/obo/CHEBI_36027 3_STAR
CHEBI:36029 biolink:ChemicalSubstance butenoate phenio.json butenoate http://purl.obolibrary.org/obo/CHEBI_36029 3_STAR
CHEBI:36030 biolink:ChemicalSubstance pentenoate A short-chain, saturated fatty acid anion that is the conjugate base of any pentenoic acid, formed by deprotonation of the carboxylic acid group. phenio.json pentenoate|pentenoates http://purl.obolibrary.org/obo/CHEBI_36030 3_STAR
CHEBI:36031 biolink:ChemicalSubstance docosenoic acid A C22, monounsaturated fatty acid carrying a C=C double bond at any position. PMID:410406|PMID:415615|PMID:7305284 phenio.json 22:1|C22:1|docosenoic acid|docosenoic acids http://purl.obolibrary.org/obo/CHEBI_36031 3_STAR
CHEBI:36032 biolink:ChemicalSubstance tetracosenoic acid Any C24 monounsaturated fatty acid containing one double bond. phenio.json 24:1|C24:1|tetracosenoic acid|tetracosenoic acids http://purl.obolibrary.org/obo/CHEBI_36032 3_STAR
CHEBI:36033 biolink:ChemicalSubstance icosatetraenoic acid A 20-carbon, polyunsaturated fatty acid having four double bonds at unspecified positions. PMID:23475189 phenio.json 20:4|C20:4|eicosatetraenoic acid|eicosatetraenoic acids|icosatetraenoic acid|icosatetraenoic acids http://purl.obolibrary.org/obo/CHEBI_36033 3_STAR
CHEBI:36035 biolink:ChemicalSubstance icosa-5,8,11,13-tetraenoic acid Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 13. phenio.json 20:4, n-7,9,12,15|5,8,11,13-eicosatetraenoic acid|5,8,11,13-eicosatetraenoic acids|5,8,11,13-icosatetraenoic acid|5,8,11,13-icosatetraenoic acids|C20:4, n-7,9,12,15|eicosa-5,8,11,13-tetraenoic acid|eicosa-5,8,11,13-tetraenoic acids|icosa-5,8,11,13-tetraenoic acid|icosa-5,8,11,13-tetraenoic acids http://purl.obolibrary.org/obo/CHEBI_36035 3_STAR
CHEBI:36036 biolink:ChemicalSubstance fatty acid 20:3 Any trienoic fatty acid with twenty carbons. phenio.json 20:3|C20:3|FA 20:3|FA(20:3)|eicosatrienoic acid|eicosatrienoic acids|icosatrienoic acid|icosatrienoic acids http://purl.obolibrary.org/obo/CHEBI_36036 3_STAR
CHEBI:36037 biolink:ChemicalSubstance (5Z,9E,14Z)-icosa-5,9,14-trienoic acid An icosatrienoic acid having a (5Z,9E,14Z) double bond configuration. phenio.json (5Z,9E,14Z)-eicosa-5,9,14-trienoic acid|(5Z,9E,14Z)-eicosatrienoic acid|(5Z,9E,14Z)-icosa-5,9,14-trienoic acid|5c,9t,11t-20:3|C20:3, n-6 cis, 11 trans, 15 cis http://purl.obolibrary.org/obo/CHEBI_36037 3_STAR
CHEBI:36038 biolink:ChemicalSubstance icosa-7,9,11,14-tetraenoic acid Any icosatetraenoic acid with the double bonds at positions 7, 9, 11 and 14. phenio.json 7,9,11,14-18:4|7,9,11,14-eicosatetraenoic acid|7,9,11,14-eicosatetraenoic acids|7,9,11,14-icosatetraenoic acid|7,9,11,14-icosatetraenoic acids|C18:4 n-6,9,11,13|eicosa-7,9,11,14-tetraenoic acid|eicosa-7,9,11,14-tetraenoic acids|icosa-7,9,11,14-tetraenoic acid|icosa-7,9,11,14-tetraenoic acids http://purl.obolibrary.org/obo/CHEBI_36038 3_STAR
CHEBI:36039 biolink:ChemicalSubstance icosa-5,8,10,14-tetraenoic acid Any icosatetraenoic acid with the double bonds at positions 5, 8, 10 and 14. phenio.json 5,8,10,14-18:4|5,8,10,14-eicosatetraenoic acid|5,8,10,14-eicosatetraenoic acids|5,8,10,14-icosatetraenoic acid|5,8,10,14-icosatetraenoic acids|C18:4, n-6,10,12,15|eicosa-5,8,10,14-tetraenoic acid|eicosa-5,8,10,14-tetraenoic acids|icosa-5,8,10,14-tetraenoic acid|icosa-5,8,10,14-tetraenoic acids http://purl.obolibrary.org/obo/CHEBI_36039 3_STAR
CHEBI:36040 biolink:ChemicalSubstance icosa-6,8,11,14-tetraenoic acid Any icosatetraenoic acid with the double bonds at positions 6, 8, 11 and 14. phenio.json 6,8,11,14-18:4|6,8,11,14-eicosatetraenoic acid|6,8,11,14-eicosatetraenoic acids|6,8,11,14-icosatetraenoic acid|6,8,11,14-icosatetraenoic acids|C18:4, n-6,9,12,14|eicosa-6,8,11,14-tetraenoic acid|eicosa-6,8,11,14-tetraenoic acids|icosa-6,8,11,14-tetraenoic acid|icosa-6,8,11,14-tetraenoic acids http://purl.obolibrary.org/obo/CHEBI_36040 3_STAR
CHEBI:36042 biolink:ChemicalSubstance icosa-5,9,11,14-tetraenoic acid Any icosatetraenoic acid with the double bonds at positions 5, 9, 11 and 14. phenio.json 5,9,11,14-18:4|5,9,11,14-eicosatetraenoic acid|5,9,11,14-eicosatetraenoic acids|5,9,11,14-icosatetraenoic acid|5,9,11,14-icosatetraenoic acids|C18:4, n-6,9,11,15|eicosa-5,9,11,14-tetraenoic acid|eicosa-5,9,11,14-tetraenoic acids|icosa-5,9,11,14-tetraenoic acid|icosa-5,9,11,14-tetraenoic acids http://purl.obolibrary.org/obo/CHEBI_36042 3_STAR
CHEBI:36043 biolink:ChemicalSubstance antimicrobial drug A drug used to treat or prevent microbial infections. phenio.json antimicrobial drugs http://purl.obolibrary.org/obo/CHEBI_36043 3_STAR
CHEBI:36044 biolink:ChemicalSubstance antiviral drug A substance used in the prophylaxis or therapy of virus diseases. phenio.json anti-viral drug|anti-virus drug|antiviral drugs http://purl.obolibrary.org/obo/CHEBI_36044 3_STAR
CHEBI:36045 biolink:ChemicalSubstance icosa-6,8,10,14-tetraenoic acid Any icosatetraenoic acid with the double bonds at positions 6, 8, 10 and 14. phenio.json 6,8,10,14-18:4|6,8,10,14-eicosatetraenoic acid|6,8,10,14-eicosatetraenoic acids|6,8,10,14-icosatetraenoic acid|6,8,10,14-icosatetraenoic acids|C18:4, n-6,10,12,14|eicosa-6,8,10,14-tetraenoic acid|eicosa-6,8,10,14-tetraenoic acids|icosa-6,8,10,14-tetraenoic acid|icosa-6,8,10,14-tetraenoic acids http://purl.obolibrary.org/obo/CHEBI_36045 3_STAR
CHEBI:36047 biolink:ChemicalSubstance antibacterial drug A drug used to treat or prevent bacterial infections. Wikipedia:Antibacterial phenio.json antibacterial drugs http://purl.obolibrary.org/obo/CHEBI_36047 3_STAR
CHEBI:3605 biolink:ChemicalSubstance chloramphenicol palmitate Beilstein:2826438|CAS:530-43-8|DrugBank:DB00446|Drug_Central:5150|KEGG:C11726|KEGG:D01072|Patent:US2662906 phenio.json (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl hexadecanoate|CAP-palmitate|Chloramphenicol palmitate|Chloromycetin palmitate|Detreopal|Quemicetina|chloramphenicol monopalmitate http://purl.obolibrary.org/obo/CHEBI_3605 3_STAR
CHEBI:36050 biolink:ChemicalSubstance antitreponemal drug A drug used in the treatment of infections with bacteria of the genus Treponema. phenio.json antitreponemal agent|antitreponemal drugs http://purl.obolibrary.org/obo/CHEBI_36050 3_STAR
CHEBI:36051 biolink:ChemicalSubstance antisyphilitic drug A substance that is used in the treatment of syphilis. phenio.json antisyphilitic agent|antisyphilitic agents|antisyphilitic drugs|antisyphilitics http://purl.obolibrary.org/obo/CHEBI_36051 3_STAR
CHEBI:36054 biolink:ChemicalSubstance benzoate ester Esters of benzoic acid or substituted benzoic acids. phenio.json benzoate ester|benzoate esters|benzoic acid esters http://purl.obolibrary.org/obo/CHEBI_36054 3_STAR
CHEBI:36055 biolink:ChemicalSubstance furoic acid A monocarboxylic acid that consists of a furan ring having a single carboxylic acid group on any ring position and derivatives thereof. phenio.json furoic acids http://purl.obolibrary.org/obo/CHEBI_36055 3_STAR
CHEBI:36056 biolink:ChemicalSubstance furancarboxylate phenio.json furancarboxylates http://purl.obolibrary.org/obo/CHEBI_36056 3_STAR
CHEBI:36059 biolink:ChemicalSubstance hydroxy monocarboxylic acid anion Any monocarboxylic acid anion carrying at least one hydroxy substituent. phenio.json hydroxy monocarboxylic acid anions|hydroxymonocarboxylic acid anion|hydroxymonocarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_36059 3_STAR
CHEBI:3606 biolink:ChemicalSubstance Chloramphenicol succinate CAS:3544-94-3|Drug_Central:4653|KEGG:C11727|KEGG:C13962|KEGG:D02185|KEGG:D07675|PDBeChem:CL8 phenio.json Chloramphenicol succinate|chloramphenicol monosuccinate sodium salt|chloramphenicol sodium succinate|chloramphenicol succinate sodium|levomycetin sodium succinate|sodium chloramphenicol succinate http://purl.obolibrary.org/obo/CHEBI_3606 2_STAR
CHEBI:36061 biolink:ChemicalSubstance octa-2,4-dienoate phenio.json http://purl.obolibrary.org/obo/CHEBI_36061 1_STAR
CHEBI:36062 biolink:ChemicalSubstance 3,4-dihydroxybenzoic acid A dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. CAS:99-50-3|HMDB:HMDB0001856|KEGG:C00230|KNApSAcK:C00002668|MetaCyc:3-4-DIHYDROXYBENZOATE|PDBeChem:DHB|PMID:17709440|PMID:19160570|PMID:20840540|PMID:20973550|PMID:21569764|PMID:21619045|PMID:22770225|Reaxys:1448841|Wikipedia:Protocatechuic_acid phenio.json 3,4-Dihydroxybenzoic acid|3,4-dihydroxybenzoic acid|4,5-Dihydroxybenzoic acid|4-Carboxy-1,2-dihydroxybenzene|Protocatechuic acid|Protocatehuic acid http://purl.obolibrary.org/obo/CHEBI_36062 3_STAR
CHEBI:36063 biolink:ChemicalSubstance oxytocic A drug that stimulates contraction of the myometrium. Oxytocics are used to induce labour, obstetric at term, to prevent or control postpartum or postabortion haemorrhage, and to assess foetal status in high risk pregnancies. They may also be used alone or with other drugs to induce abortions (abortifacients). phenio.json oxytocic|oxytocic agents|oxytocic drugs|uterine stimulants http://purl.obolibrary.org/obo/CHEBI_36063 3_STAR
CHEBI:36064 biolink:ChemicalSubstance taxane CAS:1605-68-1 phenio.json (4R,4aR,6S,9R,10S,12aR)-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene|(4R-(4alpha,4abeta,6alpha,9alpha,10alpha,12aalpha))-tetradecahydro-4,9,12a,13,13-pentamethyl-6,10-methanobenzocyclodecene|taxane http://purl.obolibrary.org/obo/CHEBI_36064 3_STAR
CHEBI:36066 biolink:ChemicalSubstance prostaglandins Falpha phenio.json http://purl.obolibrary.org/obo/CHEBI_36066 3_STAR
CHEBI:36078 biolink:ChemicalSubstance cholanoid LIPID_MAPS_class:LMST04 phenio.json bile acids and derivatives|cholanoids http://purl.obolibrary.org/obo/CHEBI_36078 3_STAR
CHEBI:36080 biolink:ChemicalSubstance protein A biological macromolecule minimally consisting of one polypeptide chain synthesized at the ribosome. phenio.json proteins http://purl.obolibrary.org/obo/CHEBI_36080 3_STAR
CHEBI:36084 biolink:ChemicalSubstance dihydroxybenzoate A hydroxybenzoate that is the conjugate base of dihydroxybenzoic acid. phenio.json dihydroxybenzoate|dihydroxybenzoates http://purl.obolibrary.org/obo/CHEBI_36084 3_STAR
CHEBI:36085 biolink:ChemicalSubstance trihydroxybenzoate phenio.json trihydroxybenzoates http://purl.obolibrary.org/obo/CHEBI_36085 3_STAR
CHEBI:36086 biolink:ChemicalSubstance sulfonatobenzoate phenio.json sulfonatobenzoates http://purl.obolibrary.org/obo/CHEBI_36086 3_STAR
CHEBI:36087 biolink:ChemicalSubstance cinnamate ester phenio.json cinnamate ester|cinnamate esters http://purl.obolibrary.org/obo/CHEBI_36087 3_STAR
CHEBI:36088 biolink:ChemicalSubstance thromboxanes A phenio.json TXA http://purl.obolibrary.org/obo/CHEBI_36088 3_STAR
CHEBI:36090 biolink:ChemicalSubstance 4-coumaric acid A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. Beilstein:2207381|CAS:7400-08-0|PMID:11684179|PMID:19089825|PMID:19930809|PMID:22447332|PMID:22585412|PMID:22923003|PMID:23178520|PMID:23420453|PMID:23485470|PMID:23669407|PMID:23684599|PMID:23810795|PMID:23857900|PMID:23892112|PMID:24927550|PMID:7285584|Wikipedia:4-coumaric_acid phenio.json 3-(4-hydroxyphenyl)-2-propenoic acid|3-(4-hydroxyphenyl)acrylic acid|3-(4-hydroxyphenyl)prop-2-enoic acid|4'-hydroxycinnamic acid|4-coumaric acid|4-hydroxycinnamic acid|beta-[4-hydroxyphenyl]acrylic acid|p-coumaric acid|p-hydroxycinnamic acid|p-hydroxyphenylacrylic acid|para-coumaric acid http://purl.obolibrary.org/obo/CHEBI_36090 3_STAR
CHEBI:36091 biolink:ChemicalSubstance cinnamates phenio.json http://purl.obolibrary.org/obo/CHEBI_36091 3_STAR
CHEBI:36092 biolink:ChemicalSubstance clavulone A class of esterified prostanoids obtained from marine corals. LIPID_MAPS_class:LMFA0312 phenio.json clavulones http://purl.obolibrary.org/obo/CHEBI_36092 3_STAR
CHEBI:36093 biolink:ChemicalSubstance inorganic chloride phenio.json inorganic chloride salt|inorganic chloride salts|inorganic chlorides http://purl.obolibrary.org/obo/CHEBI_36093 3_STAR
CHEBI:36094 biolink:ChemicalSubstance organic chloride salt phenio.json organic chloride salts http://purl.obolibrary.org/obo/CHEBI_36094 3_STAR
CHEBI:36096 biolink:ChemicalSubstance cyclohexanecarboxylic acid A monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. Beilstein:970529|CAS:98-89-5|Gmelin:50010|HMDB:HMDB0031342|KEGG:C09822|KNApSAcK:C00000334|PMID:21459409|Wikipedia:Cyclohexanecarboxylic_acid phenio.json Cyclohexancarbonsaeure|Cyclohexane-1-carboxylate|Cyclohexanecarboxylic acid|Hexahydrobenzoic acid|carboxycyclohexane|cyclohexanecarboxylic acid|cyclohexanoic acid|cyclohexylcarboxylic acid|cyclohexylformic acid|cyclohexylmethanoic acid http://purl.obolibrary.org/obo/CHEBI_36096 3_STAR
CHEBI:36100 biolink:ChemicalSubstance (S)-isoflavan The (S)-enantiomer of isoflavan. Reaxys:1426524 phenio.json (3S)-3-phenylchromane http://purl.obolibrary.org/obo/CHEBI_36100 3_STAR
CHEBI:36101 biolink:ChemicalSubstance (R)-isoflavan The (R)-enantiomer of isoflavan. Reaxys:7250036 phenio.json (3R)-3-phenylchromane http://purl.obolibrary.org/obo/CHEBI_36101 3_STAR
CHEBI:36102 biolink:ChemicalSubstance (2R)-flavan The (R)-enantiomer of flavan. Reaxys:15784694 phenio.json (2R)-2-phenyl-3,4-dihydro-2H-chromene|(2R)-2-phenylchromane|(R)-3,4-dihydro-2-phenyl-2H-1-benzopyran http://purl.obolibrary.org/obo/CHEBI_36102 3_STAR
CHEBI:36103 biolink:ChemicalSubstance (2S)-flavan The (S)-enantiomer of flavan. Beilstein:6921727|LIPID_MAPS_instance:LMPK12020000|Reaxys:8683796 phenio.json (2S)-2-phenyl-3,4-dihydro-2H-chromene|(2S)-2-phenylchromane|(S)-3,4-dihydro-2-phenyl-2H-1-benzopyran http://purl.obolibrary.org/obo/CHEBI_36103 3_STAR
CHEBI:36104 biolink:ChemicalSubstance 1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid Beilstein:2832887|CAS:60463-06-1|KEGG:C04634 phenio.json 1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate|1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_36104 3_STAR
CHEBI:36105 biolink:ChemicalSubstance (2R)-flavanone The (R)-enantiomer of flavanone. Beilstein:5379357|Reaxys:85289 phenio.json (+)-(R)-2,3-dihydro-2-phenyl-4H-1-benzopyran|(2R)-2-phenyl-2,3-dihydro-4H-chromen-4-one|(R)-2-phenylchroman-4-one http://purl.obolibrary.org/obo/CHEBI_36105 3_STAR
CHEBI:36106 biolink:ChemicalSubstance 2-naphthoic acid A naphthoic acid that is naphthalene carrying a carboxy group at position 2. Beilstein:972039|CAS:93-09-4|Gmelin:185326|KEGG:C14101|PMID:19005807|PMID:19712381|Reaxys:972039 phenio.json 2-Naphthalenecarboxylic acid|2-Naphthoic acid|2-naphthalenecarboxylic acid|beta-Naphthoic acid|beta-naphthoic acid|isonaphthoic acid|naphthalene-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_36106 3_STAR
CHEBI:36107 biolink:ChemicalSubstance 2-naphthoate A naphthoate that is the conjugate base of 2-naphthoic acid. Beilstein:3905271|Gmelin:329643|Reaxys:3905271 phenio.json 2-naphthoate(1-)|naphthalene-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_36107 3_STAR
CHEBI:36108 biolink:ChemicalSubstance 1-hydroxy-2-naphthoic acid A naphthoic acid with the carboxy group at position 2 and carrying a hydroxy substituent at the 1-position. It is a xenobiotic metabolite produced by the biodegradation of phenanthrene by microorganisms. Beilstein:974438|CAS:86-48-6|Gmelin:721746|KEGG:C03203|PMID:1650428|PMID:17305248|PMID:23539472|PMID:23582404|PMID:23997334|PMID:25643723|Patent:US7358391|Reaxys:974438 phenio.json 1-Hydroxy-2-naphthoic acid|1-Naphthol-2-carboxylic acid|1-hydroxy-2-naphthalenecarboxylic acid|1-hydroxynaphthalene-2-carboxylic acid|2-carboxy-1-naphthol http://purl.obolibrary.org/obo/CHEBI_36108 3_STAR
CHEBI:36109 biolink:ChemicalSubstance piperidinecarboxylate phenio.json piperidinecarboxylates http://purl.obolibrary.org/obo/CHEBI_36109 3_STAR
CHEBI:3611 biolink:ChemicalSubstance chlordiazepoxide A benzodiazepine that is 3H-1,4-benzodiazepine 4-oxide substituted by a chloro group at position 7, a phenyl group at position 5 and a methylamino group at position 2. CAS:58-25-3|DrugBank:DB00475|Drug_Central:594|HMDB:HMDB0014618|KEGG:D00267|PMID:17049372|PMID:19643124|PMID:9632243|Patent:MY6500040|Patent:US2893992|Patent:US3122474|Reaxys:550356|Wikipedia:Chlordiazepoxide phenio.json 7-chloro-2-methylamino-5-phenyl-3H-1,4-benzodiazepin-4-oxide|7-chloro-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-amine 4-oxide|CDP|Helogaphen|Libritabs|Multum|Risolid|Silibrin|Tropium|chlordiazepoxide|chlordiazepoxide base|chlordiazepoxidum|clopoxide|methaminodiazepoxide http://purl.obolibrary.org/obo/CHEBI_3611 3_STAR
CHEBI:36110 biolink:ChemicalSubstance pipecolate A piperidinecarboxylate that is the conjugate base of pipecolic acid. phenio.json piperidine-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_36110 3_STAR
CHEBI:36112 biolink:ChemicalSubstance pyridinedicarboxylic acid Any member of the class of pyridines carrying two carboxy groups. phenio.json pyridinedicarboxylic acid|pyridinedicarboxylic acids http://purl.obolibrary.org/obo/CHEBI_36112 3_STAR
CHEBI:36114 biolink:ChemicalSubstance chromenylium A member of the class of chromenyliums that is chromene with a protonated oxygen. Reaxys:1562952|Wikipedia:Chromenylium#Chromenylium_ion phenio.json benzopyrylium|chromenium|chromenylium http://purl.obolibrary.org/obo/CHEBI_36114 3_STAR
CHEBI:36115 biolink:ChemicalSubstance 1H-isochromene Beilstein:109937 phenio.json 1H-isochromene http://purl.obolibrary.org/obo/CHEBI_36115 3_STAR
CHEBI:36116 biolink:ChemicalSubstance 3H-isochromene phenio.json 3H-isochromene http://purl.obolibrary.org/obo/CHEBI_36116 3_STAR
CHEBI:36117 biolink:ChemicalSubstance isochromene phenio.json isochromene http://purl.obolibrary.org/obo/CHEBI_36117 3_STAR
CHEBI:36121 biolink:ChemicalSubstance flavylium A member of the class of chromenyliums that is chromenylium with a phenyl substituent at position 2. CAS:11029-12-2|KEGG:C15549|Reaxys:1426787|Wikipedia:Flavylium#Flavylium_ion phenio.json 2-phenylchromenylium|flavylium http://purl.obolibrary.org/obo/CHEBI_36121 3_STAR
CHEBI:36123 biolink:ChemicalSubstance cyclitol carboxylic acid phenio.json cyclitol carboxylic acids http://purl.obolibrary.org/obo/CHEBI_36123 3_STAR
CHEBI:36124 biolink:ChemicalSubstance (+)-quinic acid The (+)-enantiomer of quinic acid. Reaxys:2212410 phenio.json (1R,3S,4R,5S)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid|1D-1(OH),3,4/5-tetrahydroxycyclohexanecarboxylic acid http://purl.obolibrary.org/obo/CHEBI_36124 3_STAR
CHEBI:36125 biolink:ChemicalSubstance cyclitol carboxylic acid anion phenio.json cyclitol carboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_36125 3_STAR
CHEBI:36126 biolink:ChemicalSubstance cyclohexenecarboxylate phenio.json cyclohexenecarboxylates|cyclohexenecarboxylic acid anion|cyclohexenecarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_36126 3_STAR
CHEBI:36128 biolink:ChemicalSubstance cyclopropanecarboxylate Beilstein:3537480|Gmelin:745858 phenio.json http://purl.obolibrary.org/obo/CHEBI_36128 3_STAR
CHEBI:36129 biolink:ChemicalSubstance pentenedioic acid phenio.json pentenedioic acids http://purl.obolibrary.org/obo/CHEBI_36129 3_STAR
CHEBI:36130 biolink:ChemicalSubstance cyclic terpene ketone An alicyclic ketone in which the carbocyclic ring structure forms part of a terpene skeleton. phenio.json cyclic terpene ketone http://purl.obolibrary.org/obo/CHEBI_36130 3_STAR
CHEBI:36132 biolink:ChemicalSubstance alicyclic ketone A cyclic ketone in which the carbocyclic ring structure which may be saturated or unsaturated, but may not be a benzenoid or other aromatic system. phenio.json alicyclic ketone|alicyclic ketones http://purl.obolibrary.org/obo/CHEBI_36132 3_STAR
CHEBI:36133 biolink:ChemicalSubstance pentenedioate phenio.json pentenedioates http://purl.obolibrary.org/obo/CHEBI_36133 3_STAR
CHEBI:36134 biolink:ChemicalSubstance glutaconate(2-) A pentenedioate that is the dianion obtained by the deprotonation of both the carboxy groups of glutaconic acid. phenio.json pent-2-enedioate http://purl.obolibrary.org/obo/CHEBI_36134 3_STAR
CHEBI:3614 biolink:ChemicalSubstance chlorhexidine A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. CAS:55-56-1|DrugBank:DB00878|Drug_Central:597|KEGG:C06902|KEGG:D07668|LINCS:LSM-5633|PMID:10848923|PMID:11564456|PMID:16238008|PMID:17602516|PMID:24384684|PMID:33786648|PMID:33805369|PMID:33850179|PMID:33863402|Reaxys:2826432|VSDB:1779|Wikipedia:Chlorhexidine phenio.json 1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide)|Chlorhexidine|N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]|N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide http://purl.obolibrary.org/obo/CHEBI_3614 3_STAR
CHEBI:36140 biolink:ChemicalSubstance cyclopentanones Any alicyclic ketone that consists of a cyclopentane skeleton substituted by at least one oxo group. phenio.json http://purl.obolibrary.org/obo/CHEBI_36140 3_STAR
CHEBI:36141 biolink:ChemicalSubstance quinone Compounds having a fully conjugated cyclic dione structure, such as that of benzoquinones, derived from aromatic compounds by conversion of an even number of -CH= groups into -C(=O)- groups with any necessary rearrangement of double bonds (polycyclic and heterocyclic analogues are included). Wikipedia:Quinone phenio.json Chinon|quinone|quinones http://purl.obolibrary.org/obo/CHEBI_36141 3_STAR
CHEBI:36144 biolink:ChemicalSubstance ferriheme b Heme b in which the iron has oxidation state +3. Beilstein:4932321|Gmelin:738065 phenio.json (protoporphyrinato)iron(1+)|(protoporphyrinato)iron(III)|[Fe(ppIX)](+)|ferriheme|ferriprotoheme|protoferriheme http://purl.obolibrary.org/obo/CHEBI_36144 3_STAR
CHEBI:36145 biolink:ChemicalSubstance oxo dicarboxylic acid Any dicarboxylic acid carrying one or more oxo groups. phenio.json oxo dicarboxylic acids http://purl.obolibrary.org/obo/CHEBI_36145 3_STAR
CHEBI:36147 biolink:ChemicalSubstance oxo dicarboxylate phenio.json oxo dicarboxylates|oxo-dicarboxylic acid dianion|oxo-dicarboxylic acid dianions http://purl.obolibrary.org/obo/CHEBI_36147 3_STAR
CHEBI:36148 biolink:ChemicalSubstance 4-hydroxy-2-oxoglutarate(1-) A dicarboxylic acid monoanion that is the conjugate base of 4-hydroxy-2-oxoglutaric acid resulting from partial deprotonation. phenio.json 2-keto-4-hydroxyglutarate(1-)|2-oxo-4-hydroxyglutarate(1-)|4-hydroxy-2-ketoglutarate(1-)|hydrogen 2-hydroxy-4-oxopentanedioate http://purl.obolibrary.org/obo/CHEBI_36148 3_STAR
CHEBI:36149 biolink:ChemicalSubstance 2-hydroxyglutarate(1-) A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of 2-hydroxyglutaric acid. phenio.json hydrogen 2-hydroxypentanedioate http://purl.obolibrary.org/obo/CHEBI_36149 3_STAR
CHEBI:36151 biolink:ChemicalSubstance heptenoic acid A C7, medium-chain fatty acid carrying a double bond at any position along the main chain. CAS:25377-46-2 phenio.json heptenoic acid|heptenoic acids http://purl.obolibrary.org/obo/CHEBI_36151 3_STAR
CHEBI:36157 biolink:ChemicalSubstance muconate phenio.json http://purl.obolibrary.org/obo/CHEBI_36157 3_STAR
CHEBI:36158 biolink:ChemicalSubstance metalloprotoporphyrin A metal--protoporphyrin coordination complex. phenio.json metalloprotoporphyrins http://purl.obolibrary.org/obo/CHEBI_36158 3_STAR
CHEBI:36159 biolink:ChemicalSubstance protoporphyrinate Gmelin:735458 phenio.json ppIX|ppIX(2-)|protoporphyrinate|protoporphyrinate IX http://purl.obolibrary.org/obo/CHEBI_36159 3_STAR
CHEBI:36163 biolink:ChemicalSubstance ferroheme a Beilstein:1206306|KEGG:C15670|PDBeChem:HEA phenio.json (cytoporphyrinato)iron(II)|[3,3'-{7-ethenyl-17-formyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13-trimethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(2-)]iron|{3,3'-[7-ethenyl-17-formyl-12-(1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl)-3,8,13-trimethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)]dipropanoato(2-)}iron http://purl.obolibrary.org/obo/CHEBI_36163 3_STAR
CHEBI:36164 biolink:ChemicalSubstance amino dicarboxylic acid phenio.json amino dicarboxylic acids http://purl.obolibrary.org/obo/CHEBI_36164 3_STAR
CHEBI:36165 biolink:ChemicalSubstance pimelate(2-) A dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of pimelic acid. Gmelin:363895|MetaCyc:CPD-205|Reaxys:3905193 phenio.json heptanedioate http://purl.obolibrary.org/obo/CHEBI_36165 3_STAR
CHEBI:36166 biolink:ChemicalSubstance 5-[(1-carboxyethenyl)oxy]-6-hydroxycyclohexa-1,3-diene-1-carboxylic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_36166 1_STAR
CHEBI:36167 biolink:ChemicalSubstance dipicolinate(2-) A pyridinedicarboxylate that is the conjugate base of dipicolinate(1-) Beilstein:4137659|Gmelin:328957 phenio.json dipicolinate|pyridine-2,6-dicarboxylate http://purl.obolibrary.org/obo/CHEBI_36167 3_STAR
CHEBI:36173 biolink:ChemicalSubstance pyridinedicarboxylate phenio.json pyridinedicarboxylates http://purl.obolibrary.org/obo/CHEBI_36173 3_STAR
CHEBI:36174 biolink:ChemicalSubstance octenedioic acid phenio.json octenedioic acids http://purl.obolibrary.org/obo/CHEBI_36174 3_STAR
CHEBI:36175 biolink:ChemicalSubstance octenedioate phenio.json octenedioates http://purl.obolibrary.org/obo/CHEBI_36175 3_STAR
CHEBI:36178 biolink:ChemicalSubstance cytoporphyrins phenio.json http://purl.obolibrary.org/obo/CHEBI_36178 1_STAR
CHEBI:36180 biolink:ChemicalSubstance butenedioate Gmelin:874013 phenio.json but-2-enedioate http://purl.obolibrary.org/obo/CHEBI_36180 3_STAR
CHEBI:36181 biolink:ChemicalSubstance succinate ester A carboxylic ester resulting from the esterification of one or both of the carboxy groups of succinic acid. (Succinate ester in which only one of the carboxy groups of succinic acid has been esterified are known as hemisuccinates.) phenio.json http://purl.obolibrary.org/obo/CHEBI_36181 3_STAR
CHEBI:36185 biolink:ChemicalSubstance ergotaman phenio.json ergotaman http://purl.obolibrary.org/obo/CHEBI_36185 3_STAR
CHEBI:36186 biolink:ChemicalSubstance cyclobutanedicarboxylic acid phenio.json cyclobutanedicarboxylic acids http://purl.obolibrary.org/obo/CHEBI_36186 3_STAR
CHEBI:36188 biolink:ChemicalSubstance malate ester A carboxylic ester of malic acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_36188 3_STAR
CHEBI:36189 biolink:ChemicalSubstance spirosolane CAS:34471-97-1 phenio.json spirosolane|tomatanine http://purl.obolibrary.org/obo/CHEBI_36189 3_STAR
CHEBI:3619 biolink:ChemicalSubstance chlormezanone A 1,3-thiazine that is 1,3-thiazinan-4-one S,S-dioxide in which a hydrogen at position 2 is substituted by a 4-chlorophenyl group and the hydrogen attached to the nitrogen is substituted by methyl. A non-benzodiazepine muscle relaxant, it was used in the management of anxiety and in the treatment of muscle spasms until being discontinued worldwide by its manufacturer in 1996, due to rare but serious cutaneous reactions. CAS:80-77-3|DrugBank:DB01178|Drug_Central:603|KEGG:D00268|LINCS:LSM-4356|PMID:10191862|PMID:10412893|PMID:10798243|PMID:15897685|PMID:29438107|PMID:3449070|PMID:3720548|PMID:3768082|PMID:6403110|PMID:7104168|PMID:7758315|PMID:9770210|Patent:GB815203|Reaxys:23033|Wikipedia:Chlormezanone phenio.json (+-)-chlormezanone|2-(4-chlorophenyl)-3-methyl-1,3-thiazinan-4-one 1,1-dioxide|2-(p-chlorophenyl)tetrahydro-3-methyl-4H-1,3-thiazin-4-one 1,1-dioxide|2-(p-chlorphenyl)-3-methyl-1,3-perhydrothiazin-4-on-1,1-dioxide|chlormethazanone|chlormezanona|chlormezanone|chlormezanonum http://purl.obolibrary.org/obo/CHEBI_3619 3_STAR
CHEBI:36190 biolink:ChemicalSubstance hepoxilin A3 A hepoxilin having (5Z,9E,14Z) double bond stereochemistry, an 8-hydroxy substituent and an 11S,12S-epoxy group. CAS:85589-24-8|CAS:94161-11-2|KEGG:C14808|LIPID_MAPS_instance:LMFA03090005|PMID:10100848|PMID:10644052|PMID:15123652|PMID:8573089|Reaxys:21024403 phenio.json (5Z,9E)-8-hydroxy-10-{(2S,3S)-3-[(2Z)-oct-2-en-1-yl]oxiran-2-yl}deca-5,9-dienoic acid|(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyeicosa-5,9,14-trienoic acid|(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid|8-EH-2|8-Hydroxy-11,12-epoxyeicosa-5,9,14-trienoic acid|8-hydroxy-10-(3-(2-octenyl)oxiranyl)-5,9-decadienoic acid|8-hydroxy-11(S),12(S)-epoxy-eicosa- 5Z,9E,14Z-trienoic acid|8-hydroxy-11S,12S-epoxy-5Z,14Z,9E-eicosatrienoic acid|HXA3|Hepoxilin A|Hepoxilin A3|HxA3 http://purl.obolibrary.org/obo/CHEBI_36190 3_STAR
CHEBI:36191 biolink:ChemicalSubstance hexenedioate phenio.json hexenedioates http://purl.obolibrary.org/obo/CHEBI_36191 3_STAR
CHEBI:36192 biolink:ChemicalSubstance 2-hexenedioic acid A hexenedioic acid where the C=C double bond is located at the 2-position. Reaxys:1722916 phenio.json hex-2-enedioic acid http://purl.obolibrary.org/obo/CHEBI_36192 3_STAR
CHEBI:36194 biolink:ChemicalSubstance cyclohexadienedicarboxylic acid phenio.json cyclohexadienedicarboxylic acids http://purl.obolibrary.org/obo/CHEBI_36194 3_STAR
CHEBI:36196 biolink:ChemicalSubstance tomatidane phenio.json (22S,25S)-spirosolane|(22S,25S)-tomatanine http://purl.obolibrary.org/obo/CHEBI_36196 3_STAR
CHEBI:36197 biolink:ChemicalSubstance pyrandicarboxylic acid phenio.json pyrandicarboxylic acids http://purl.obolibrary.org/obo/CHEBI_36197 3_STAR
CHEBI:36200 biolink:ChemicalSubstance hepoxilin Mono-hydroxy epoxy icosatrienoic acids which are generated along the 12-lipoxygenase pathway. PMID:17997296|PMID:6396652|PMID:7769965|Wikipedia:Hepoxilin phenio.json hepoxilins http://purl.obolibrary.org/obo/CHEBI_36200 3_STAR
CHEBI:36201 biolink:ChemicalSubstance trioxilin Any icosatrienoic acid having three hydroxy substituents. PMID:12909703|PMID:9540966 phenio.json tri-OH 20:3|tri-OH C20:3|trihydroxyeicosatrienoic acid|trihydroxyeicosatrienoic acids|trihydroxyicosatrienoic acid|trihydroxyicosatrienoic acids|trioxilins http://purl.obolibrary.org/obo/CHEBI_36201 3_STAR
CHEBI:36202 biolink:ChemicalSubstance all-cis-icosa-5,8,14-trienoic acid An icosatrienoic acid with three cis-double bonds at positions 5, 8 and 14. phenio.json (5Z,8Z,14Z)-icosa-5,8,14-trienoic acid|20:3, n-6,12,15 all-cis|5c,8c,14c-Eicosatriensaeure|C20:3, n-6,12,15 all-cis|all-cis-5,8,14-eicosatrienoic acid|all-cis-5,8,14-icosatrienoic acid|all-cis-Eicosa-5,8,14-triensaeure|all-cis-eicosa-5,8,14-trienoic acid|cis,cis,cis-5,8,14-eicosatrienoic acid|eicosa-5Z,8Z,14Z-trienoic acid http://purl.obolibrary.org/obo/CHEBI_36202 3_STAR
CHEBI:36204 biolink:ChemicalSubstance 12-hydroxylaurate The conjugate base of 12-hydroxylauric acid. Beilstein:4801712 phenio.json 12-OH dodecanoate|12-OH laurate|12-hydroxydodecanoate|omega-OH dodecanoate|omega-hydroxy laurate|omega-hydroxydodecanoate http://purl.obolibrary.org/obo/CHEBI_36204 3_STAR
CHEBI:36205 biolink:ChemicalSubstance cyclobutanedicarboxylate phenio.json cyclobutanedicarboxylates http://purl.obolibrary.org/obo/CHEBI_36205 3_STAR
CHEBI:36206 biolink:ChemicalSubstance 3-hydroxylauric acid A medium-chain fatty acid that is the 3-hydroxylated derivative of lauric acid; associated with fatty acid metabolic disorders. Beilstein:1774915|CAS:1883-13-2|LIPID_MAPS_instance:LMFA01050037|PMID:11948802 phenio.json 3-OH dodecanoic acid|3-OH lauric acid|3-hydroxy-dodecanoic acid|3-hydroxydodecanoic acid|beta-OH dodecanoic acid|beta-OH lauric acid|beta-hydroxydodecanoic acid|beta-hydroxylauric acid http://purl.obolibrary.org/obo/CHEBI_36206 3_STAR
CHEBI:36208 biolink:ChemicalSubstance shikimate A cyclohexenecarboxylate that is the conjugate base of shikimic acid. phenio.json (3R,4S,5R)--3,4,5-trihydroxycyclohex-1-ene-1-carboxylate|shikimate http://purl.obolibrary.org/obo/CHEBI_36208 3_STAR
CHEBI:36210 biolink:ChemicalSubstance (S)-3-hydroxylauric acid The (S)-enantiomer of 3-hydroxylauric acid. Beilstein:5802385|LIPID_MAPS_instance:LMFA01050252 phenio.json (3S)-3-hydroxydodecanoic acid|(S)-3-OH dodecanoic acid|(S)-3-OH lauric acid|(S)-3-hydroxydodecanoic acid|(S)-beta-OH dodecanoic acid|(S)-beta-OH lauric acid|(S)-beta-hydroxydodecanoic acid|(S)-beta-hydroxylauric acid http://purl.obolibrary.org/obo/CHEBI_36210 3_STAR
CHEBI:36218 biolink:ChemicalSubstance beta-lactose The beta-anomer of lactose. CAS:5965-66-2|GlyGen:G84224TW|GlyTouCan:G84224TW|Gmelin:342369|HMDB:HMDB0041627|KEGG:C01970|MetaCyc:CPD-15971|PDBeChem:LAT|PMID:12985330|PMID:14602193|PMID:17755819|PMID:19443021|PMID:19895454|PMID:25568069|PMID:31537530|PMID:32568414|PMID:3754827|PMID:5906151|PMID:5967700|Reaxys:90841|Wikipedia:Lactose phenio.json 4-O-beta-D-galactopyranosyl-beta-D-glucopyranose|Galb1-4Glcb|Galbeta1-4Glcbeta|LACTOSE|WURCS=2.0/2,2,1/[a2122h-1b_1-5][a2112h-1b_1-5]/1-2/a4-b1|beta-D-Galp-(1->4)-beta-D-Glcp|beta-D-Lactose|beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose|beta-D-galactopyranosyl-(1->4)-beta-D-glucose|beta-D-glucopyranose, 4-O-beta-D-galactopyranosyl-|beta-Lactose|beta-lactose http://purl.obolibrary.org/obo/CHEBI_36218 3_STAR
CHEBI:36219 biolink:ChemicalSubstance alpha-lactose The alpha-anomer of lactose. CAS:14641-93-1|DrugBank:DB04465|Drug_Central:1535|GlyGen:G88362QR|GlyTouCan:G88362QR|MetaCyc:LACTOSE|PDBeChem:LBT|PMID:2432147|Reaxys:90842 phenio.json 1-beta-D-Galactopyranosyl-4-alpha-D-glucopyranose|4-O-beta-D-galactopyranosyl-alpha-D-glucopyranose|Anhydrous lactose|LACTOSE|Lactose|Milk sugar|WURCS=2.0/2,2,1/[a2122h-1a_1-5][a2112h-1b_1-5]/1-2/a4-b1|alpha-Lactose|alpha-lactose|beta-D-Galp-(1->4)-alpha-D-Glcp|beta-D-galactopyranosyl-(1->4)-alpha-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_36219 3_STAR
CHEBI:36233 biolink:ChemicalSubstance disaccharide A compound in which two monosaccharides are joined by a glycosidic bond. KEGG:C01911 phenio.json Disaccharid|Disaccharide|Disacharid|disacarido|disacaridos|disaccharides http://purl.obolibrary.org/obo/CHEBI_36233 3_STAR
CHEBI:36234 biolink:ChemicalSubstance chenodeoxycholate Conjugate base of chenodeoxycholic acid; major species at pH 7.3. Beilstein:3703074 phenio.json 3alpha,7alpha-dihydroxy-5beta-cholan-24-oate|chenodeoxycholate|chenodeoxycholate anion|chenodeoxycholate(1-) http://purl.obolibrary.org/obo/CHEBI_36234 3_STAR
CHEBI:36235 biolink:ChemicalSubstance bile acid anion phenio.json bile acid anions http://purl.obolibrary.org/obo/CHEBI_36235 3_STAR
CHEBI:36237 biolink:ChemicalSubstance cholanic acid A steroid acid that consists of cholane having a carboxy group in place of the methyl group at position 24. CAS:25312-65-6|Patent:JP2008069152|Reaxys:13246008 phenio.json cholan-24-oic acid http://purl.obolibrary.org/obo/CHEBI_36237 3_STAR
CHEBI:36238 biolink:ChemicalSubstance 5beta-cholanic acid Beilstein:3214794|CAS:546-18-9|LIPID_MAPS_instance:LMST04010441 phenio.json (5beta)-cholan-24-oic acid|(5beta,17beta)-gamma-methylandrostane-17-butanoic acid|5beta-cholan-24-oic acid|5beta-cholanic acid|5beta-cholanoic acid|ursocholanic acid http://purl.obolibrary.org/obo/CHEBI_36238 3_STAR
CHEBI:36240 biolink:ChemicalSubstance 3alpha,7alpha,12beta-trihydroxy-5beta-cholanic acid A trihydroxy-5beta-cholanic acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3, 7 and 12 (the 3alpha,7alpha,12beta stereoisomer). Beilstein:3222494|HMDB:HMDB0000312|KEGG:C04661|LIPID_MAPS_instance:LMST04010085|PMID:11316487|PMID:16037564|Reaxys:3222494 phenio.json 3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate|3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid|3alpha,7alpha,12beta-trihydroxy-5beta-cholan-24-oic acid|lagocholic acid http://purl.obolibrary.org/obo/CHEBI_36240 3_STAR
CHEBI:36241 biolink:ChemicalSubstance 3,4-dihydroxybenzoate A dihydroxybenzoate having the two hydroxy groups located at the 3- and 4-positions. DrugBank:DB03946|KEGG:C00230|MetaCyc:3-4-DIHYDROXYBENZOATE|Reaxys:4921766|UM-BBD_compID:c0120 phenio.json 3,4-Dihydroxybenzoate|3,4-dihydroxybenzoate|4,5-dihydroxybenzoate http://purl.obolibrary.org/obo/CHEBI_36241 3_STAR
CHEBI:36242 biolink:ChemicalSubstance 3-(4-hydroxyphenyl)pyruvate A 2-oxo monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)pyruvic acid. Beilstein:3950858|KEGG:C01179|PMID:11948155|PMID:14593448|Reaxys:3950858|UM-BBD_compID:c0235 phenio.json 3-(4-Hydroxyphenyl)pyruvate|3-(4-hydroxyphenyl)-2-oxopropanoate|3-(4-hydroxyphenyl)pyruvate|3-(p-hydroxyphenyl)pyruvate|4-Hydroxyphenylpyruvate|HPP|p-hydroxyphenylpyruvate http://purl.obolibrary.org/obo/CHEBI_36242 3_STAR
CHEBI:36243 biolink:ChemicalSubstance propanoate ester Any carboxylic ester where the carboxylic acid component is propionic acid. phenio.json a propanoate ester|propanoate ester|propanoate esters http://purl.obolibrary.org/obo/CHEBI_36243 3_STAR
CHEBI:36244 biolink:ChemicalSubstance dicarboxylic acid monoester A monoester of a dicarboxylic acid. phenio.json dicarboxylic acid monoesters http://purl.obolibrary.org/obo/CHEBI_36244 3_STAR
CHEBI:36246 biolink:ChemicalSubstance 5alpha-cholanic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_36246 1_STAR
CHEBI:36248 biolink:ChemicalSubstance 5beta-cholanic acids Members of the class of cholanic acids based on a 5beta-cholane skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_36248 3_STAR
CHEBI:36249 biolink:ChemicalSubstance bile acid conjugate Any bile acid conjugated to a functional group that gives additional hydrophilicity or charge to the molecule. Molecules used for conjugation are: glycine, taurine (and other amino acids); sulfuric acid (for which the term ''sulfate'' may be used); glucuronic acid (for which the term ''glucuronate'' may be used); glucose and other uncharged sugars; and coenzyme A. PMID:19619630|PMID:35224661|PMID:36396870|PMID:37071431 phenio.json bile acid conjugates|conjugated bile acid|conjugated bile acids http://purl.obolibrary.org/obo/CHEBI_36249 3_STAR
CHEBI:36252 biolink:ChemicalSubstance glycochenodeoxycholate A N-acylglycinate that is the conjugate base of glycochenodeoxycholic acid. Reaxys:3730023 phenio.json N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycinate|glycochenodeoxycholate http://purl.obolibrary.org/obo/CHEBI_36252 3_STAR
CHEBI:36255 biolink:ChemicalSubstance bile acid glycine conjugate Amide of a bile acid with glycine. phenio.json bile acid glycine conjugates http://purl.obolibrary.org/obo/CHEBI_36255 3_STAR
CHEBI:36257 biolink:ChemicalSubstance taurocholate An organosulfonate oxoanion that is the conjugate base of taurocholic acid. MetaCyc:CPD-3743|Reaxys:3919947 phenio.json 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate|taurocholate http://purl.obolibrary.org/obo/CHEBI_36257 3_STAR
CHEBI:36258 biolink:ChemicalSubstance but-2-enoate The conjugate base of but-2-enoic acid. Beilstein:3587578|Gmelin:324282 phenio.json 2-butenoate|but-2-enoate http://purl.obolibrary.org/obo/CHEBI_36258 3_STAR
CHEBI:36259 biolink:ChemicalSubstance taurolithocholic acid The bile acid taurine conjugate of lithocholic acid. Beilstein:3181237|CAS:516-90-5|HMDB:HMDB0000722|KEGG:C02592|LIPID_MAPS_instance:LMST05040003|PMID:16981261|PMID:19415298|Reaxys:3181237|Wikipedia:Taurolithocholic_acid phenio.json 2-[(3alpha-hydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid|Taurolithocholate|Taurolithocholic acid|lithocholyltaurine http://purl.obolibrary.org/obo/CHEBI_36259 3_STAR
CHEBI:36260 biolink:ChemicalSubstance monohydroxy-5beta-cholanic acid phenio.json monohydroxy-5beta-cholanic acids http://purl.obolibrary.org/obo/CHEBI_36260 3_STAR
CHEBI:36261 biolink:ChemicalSubstance taurodeoxycholate An organosulfonate oxoanion that is the conjugate base of taurodeoxycholic acid. KEGG:C05463|Reaxys:3919126 phenio.json 2-[(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate|taurodeoxycholate http://purl.obolibrary.org/obo/CHEBI_36261 3_STAR
CHEBI:36262 biolink:ChemicalSubstance molybdenum oxoanion phenio.json molybdenum oxoanion|molybdenum oxoanions http://purl.obolibrary.org/obo/CHEBI_36262 3_STAR
CHEBI:36263 biolink:ChemicalSubstance hydrogenmolybdate A monovalent inorganic anion that consists of molybdic acid where one of the two OH groups has been deprotonated. phenio.json HMoO4(-)|[MoO3(OH)](-)|hydrogen molybdate|hydrogen(tetraoxidomolybdate)(1-)|hydroxidodioxidomolybdate(1-) http://purl.obolibrary.org/obo/CHEBI_36263 3_STAR
CHEBI:36264 biolink:ChemicalSubstance molybdate A divalent inorganic anion obtained by removal of both protons from molybdic acid CAS:14259-85-9|Gmelin:2155|KEGG:C06232|MolBase:230|PDBeChem:MOO phenio.json MOLYBDATE ION|Molybdate|[MoO4](2-)|molybdate|tetraoxidomolybdate(2-)|tetraoxidomolybdate(VI) http://purl.obolibrary.org/obo/CHEBI_36264 3_STAR
CHEBI:36265 biolink:ChemicalSubstance transition element oxoacid phenio.json transition element oxoacids|transition metal oxoacid|transition metal oxoacids http://purl.obolibrary.org/obo/CHEBI_36265 3_STAR
CHEBI:36267 biolink:ChemicalSubstance molybdenum oxoacid phenio.json molybdenum oxoacid|molybdenum oxoacids|oxoacids of molybdenum http://purl.obolibrary.org/obo/CHEBI_36267 3_STAR
CHEBI:36270 biolink:ChemicalSubstance tungsten oxoanion phenio.json tungsten oxoanion|tungsten oxoanions http://purl.obolibrary.org/obo/CHEBI_36270 3_STAR
CHEBI:36271 biolink:ChemicalSubstance hydrogentungstate A monovalent inorganic anion that consists of tungstic acid where one of the two OH groups has been deprotonated. Gmelin:26402 phenio.json HWO4(-)|[WO3(OH)](-)|hydrogen(tetraoxidotungstate)(1-)|hydroxidodioxidotungstate(1-) http://purl.obolibrary.org/obo/CHEBI_36271 3_STAR
CHEBI:36272 biolink:ChemicalSubstance tungstic acid CAS:7783-03-1|Gmelin:82224 phenio.json H2WO4|[WO2(OH)2]|dihydrogen wolframate|dihydroxidodioxidotungsten|tungstic(VI) acid http://purl.obolibrary.org/obo/CHEBI_36272 3_STAR
CHEBI:36274 biolink:ChemicalSubstance glycochenodeoxycholic acid A bile acid glycine conjugate having 3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl as the bile acid component. Beilstein:3226177|CAS:640-79-9|DrugBank:DB02123|HMDB:HMDB0006898|KEGG:C05466|MetaCyc:GLYCOCHENODEOXYCHOLIC_ACID|PDBeChem:CHO|PMID:22770225|PMID:23078175|Reaxys:3226177|Wikipedia:Glycochenodeoxycholic_acid phenio.json Chenodeoxyglycocholate|GCDCA|GLYCOCHENODEOXYCHOLIC ACID|Glycochenodeoxycholate|Glycochenodeoxycholic acid|N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)glycine|[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]acetic acid|chenodeoxycholylglycine|chenodeoxyglycocholic acid|glycine chenodeoxycholate http://purl.obolibrary.org/obo/CHEBI_36274 3_STAR
CHEBI:36275 biolink:ChemicalSubstance HETE Any monohydroxylated icosanoid having four double bonds. PMID:11123211|PMID:12681244|PMID:17640979 phenio.json HETEs|hydroxyeicosatetraenoic acid|hydroxyeicosatetraenoic acids http://purl.obolibrary.org/obo/CHEBI_36275 3_STAR
CHEBI:36277 biolink:ChemicalSubstance bile acid salt A salt of a bile acid. phenio.json bile acid salts http://purl.obolibrary.org/obo/CHEBI_36277 3_STAR
CHEBI:36278 biolink:ChemicalSubstance cholanic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_36278 1_STAR
CHEBI:36279 biolink:ChemicalSubstance oct-2-enedioic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_36279 1_STAR
CHEBI:36280 biolink:ChemicalSubstance oct-2-enedioate phenio.json http://purl.obolibrary.org/obo/CHEBI_36280 1_STAR
CHEBI:36281 biolink:ChemicalSubstance caffeic acid A hydroxycinnamic acid that is cinnamic acid in which the phenyl ring is substituted by hydroxy groups at positions 3 and 4. It exists in cis and trans forms; the latter is the more common. HMDB:HMDB0001964|KEGG:C01481|LINCS:LSM-5272|PMID:11373473|PMID:15778121|PMID:18061431|PMID:18314336|PMID:18482095|PMID:20542693|PMID:8340025|Reaxys:2210883 phenio.json 3-(3,4-dihydroxyphenyl)prop-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_36281 3_STAR
CHEBI:36299 biolink:ChemicalSubstance tricarboxylic acid monoanion phenio.json tricarboxylic acid monoanions http://purl.obolibrary.org/obo/CHEBI_36299 3_STAR
CHEBI:36300 biolink:ChemicalSubstance tricarboxylic acid dianion phenio.json tricarboxylic acid dianions http://purl.obolibrary.org/obo/CHEBI_36300 3_STAR
CHEBI:36301 biolink:ChemicalSubstance ferroheme o A ferroheme having a methyl group at ring position 8 and an isoprenoid chain at position 2. Gmelin:703238|PDBeChem:HEO|Reaxys:5374859 phenio.json HEME O|[3,3'-{7-ethenyl-12-[(1S,4E,8E)-1-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trien-1-yl]-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa(4)N(21),N(22),N(23),N(24)}dipropanoato(2-)]iron http://purl.obolibrary.org/obo/CHEBI_36301 3_STAR
CHEBI:36302 biolink:ChemicalSubstance icosa-5,8,12,14-tetraenoic acid Any icosatetraenoic acid with the double bonds at positions 5, 8, 12 and 14. phenio.json 5,8,12,14-18:4|5,8,12,14-eicosatetraenoic acid|5,8,12,14-eicosatetraenoic acids|5,8,12,14-icosatetraenoic acid|5,8,12,14-icosatetraenoic acids|C18:4, n-6,8,12,15|eicosa-5,8,12,14-tetraenoic acid|eicosa-5,8,12,14-tetraenoic acids|icosa-5,8,12,14-tetraenoic acid|icosa-5,8,12,14-tetraenoic acids http://purl.obolibrary.org/obo/CHEBI_36302 3_STAR
CHEBI:36306 biolink:ChemicalSubstance icosa-5,8,11,14-tetraenoic acid Any icosatetraenoic acid with the double bonds at positions 5, 8, 11 and 14. LINCS:LSM-6527 phenio.json 5,8,11,14-20:4|5,8,11,14-eicosatetraenoic acid|5,8,11,14-eicosatetraenoic acids|5,8,11,14-icosatetraenoic acid|5,8,11,14-icosatetraenoic acids|C20:4, n-6,9,12,15|eicosa-5,8,11,14-tetraenoic acid|eicosa-5,8,11,14-tetraenoic acids|icosa-5,8,11,14-tetraenoic acid|icosa-5,8,11,14-tetraenoic acids http://purl.obolibrary.org/obo/CHEBI_36306 3_STAR
CHEBI:36307 biolink:ChemicalSubstance glycosyl alditol phenio.json http://purl.obolibrary.org/obo/CHEBI_36307 3_STAR
CHEBI:36309 biolink:ChemicalSubstance cyclic tetrapyrrole phenio.json cyclic tetrapyrroles|macrocyclic tetrapyrrole|macrocyclic tetrapyrroles http://purl.obolibrary.org/obo/CHEBI_36309 3_STAR
CHEBI:36310 biolink:ChemicalSubstance glycosylglycerol phosphate phenio.json glycosylglycerol phosphates http://purl.obolibrary.org/obo/CHEBI_36310 3_STAR
CHEBI:36311 biolink:ChemicalSubstance corphinoid phenio.json http://purl.obolibrary.org/obo/CHEBI_36311 1_STAR
CHEBI:36312 biolink:ChemicalSubstance sarpagan Beilstein:759382 phenio.json sarpagan http://purl.obolibrary.org/obo/CHEBI_36312 3_STAR
CHEBI:36313 biolink:ChemicalSubstance glycerophosphocholine The glycerol phosphate ester of a phosphocholine. A nutrient with many different roles in human health. PMID:8467564 phenio.json glycerophosphocholines http://purl.obolibrary.org/obo/CHEBI_36313 3_STAR
CHEBI:36314 biolink:ChemicalSubstance glycerophosphoethanolamine phenio.json glycerophosphoethanolamines http://purl.obolibrary.org/obo/CHEBI_36314 3_STAR
CHEBI:36315 biolink:ChemicalSubstance glycerophosphoinositol Any glycerophospholipid having the polar alcohol inositol esterified to the phosphate group at the sn-3 position of the glycerol backbone. PMID:14706866 phenio.json GPI|glycerophosphoinositols http://purl.obolibrary.org/obo/CHEBI_36315 3_STAR
CHEBI:36316 biolink:ChemicalSubstance dipyrrole phenio.json dipyrroles http://purl.obolibrary.org/obo/CHEBI_36316 3_STAR
CHEBI:36317 biolink:ChemicalSubstance tripyrrole phenio.json tripyrroles http://purl.obolibrary.org/obo/CHEBI_36317 3_STAR
CHEBI:36319 biolink:ChemicalSubstance dipyrromethane Beilstein:124440|CAS:21211-65-4|Gmelin:1443173 phenio.json 2,2'-dipyrrolylmethane|2,2'-methylenebis(1H-pyrrole)|5,10-dihydrodipyrrin|di(1H-pyrrol-2-yl)methane|di-2-pyrrolylmethane|dipyrromethane|dipyrrylmethane|pyrromethane http://purl.obolibrary.org/obo/CHEBI_36319 3_STAR
CHEBI:36321 biolink:ChemicalSubstance porphyrinogens Hexahydroporphyrins in which the nitrogen atoms and four meso positions are saturated. phenio.json calix[4]pyrroles|porphyrinogens http://purl.obolibrary.org/obo/CHEBI_36321 3_STAR
CHEBI:36326 biolink:ChemicalSubstance octadecanoid Unsaturated C18 fatty acids and skeletally related compounds. phenio.json octadecanoids http://purl.obolibrary.org/obo/CHEBI_36326 3_STAR
CHEBI:36327 biolink:ChemicalSubstance tubocuraran phenio.json tubocuraran http://purl.obolibrary.org/obo/CHEBI_36327 3_STAR
CHEBI:36328 biolink:ChemicalSubstance HODE Hydroxy-octadecadienoic acids, formed in mammalian cells from the corresponding hydroperoxy compounds (HPODEs). phenio.json HODEs http://purl.obolibrary.org/obo/CHEBI_36328 3_STAR
CHEBI:36329 biolink:ChemicalSubstance HPODE Hydroperoxy-octadecadienoic acids, formed in mammalian cells by peroxidation of linoleic acid. PMID:23680403 phenio.json HPODEs http://purl.obolibrary.org/obo/CHEBI_36329 3_STAR
CHEBI:36330 biolink:ChemicalSubstance senecionan phenio.json (3Z,5R,6S,14aR,14bR)-3-ethylidene-5,6-dimethyl-2,3,4,5,6,7,9,11,13,14,14a,14b-dodecahydro[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine|senecionan http://purl.obolibrary.org/obo/CHEBI_36330 3_STAR
CHEBI:36331 biolink:ChemicalSubstance octadeca-10,12-dienoic acid A conjugated linoleic acid having double bonds at positions 10 and 12. PMID:8169661|Reaxys:9276105 phenio.json 10,12-18:2|10,12-octadecadienoic acid|18:2, n-6,8|C18:2, n-6,8|octadeca-10,12-dienoic acid http://purl.obolibrary.org/obo/CHEBI_36331 3_STAR
CHEBI:36332 biolink:ChemicalSubstance hispidin Fungal metabolite first found in basidiomycete Inonotus hispidus (formerly Polyporus hispidus). Beilstein:1288087|CAS:555-55-5|Chemspider:13975015|HMDB:HMDB0253181|KNApSAcK:C00043575|PMID:29345559|PMID:32321407|PMID:34335912|PMID:35067200|PMID:565401|PMID:9088624|Wikipedia:Hispidin phenio.json 6-(3,4-dihydroxystyryl)-4-hydroxy-2-pyrone|6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2H-pyran-2-one|6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one|hispidin http://purl.obolibrary.org/obo/CHEBI_36332 3_STAR
CHEBI:36333 biolink:ChemicalSubstance local anaesthetic Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block. phenio.json Lokalanaesthetikum|anesthesique local|local anaesthetic|local anaesthetics|local anesthetics http://purl.obolibrary.org/obo/CHEBI_36333 3_STAR
CHEBI:36334 biolink:ChemicalSubstance naphthalene-1,3,5-trisulfonic acid Beilstein:2677842|CAS:6654-64-4 phenio.json naphthalene-1,3,5-trisulfonic acid|naphthalene-1,3,5-trisulphonic acid http://purl.obolibrary.org/obo/CHEBI_36334 3_STAR
CHEBI:36335 biolink:ChemicalSubstance trypanocidal drug A drug used to treat or prevent infections caused by protozoal organisms belonging to the suborder Trypanosomatida. phenio.json antitrypanosomal agent|antitrypanosomal agents|antitrypanosomal drug|antitrypanosomal drugs|trypanocidal drugs|trypanocide|trypanosomicidal agents http://purl.obolibrary.org/obo/CHEBI_36335 3_STAR
CHEBI:36336 biolink:ChemicalSubstance naphthalenesulfonic acid phenio.json naphthalenesulfonic acids http://purl.obolibrary.org/obo/CHEBI_36336 3_STAR
CHEBI:36337 biolink:ChemicalSubstance strychnidine Beilstein:44534 phenio.json strychnidine http://purl.obolibrary.org/obo/CHEBI_36337 3_STAR
CHEBI:36338 biolink:ChemicalSubstance lepton Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin). phenio.json leptons http://purl.obolibrary.org/obo/CHEBI_36338 3_STAR
CHEBI:36339 biolink:ChemicalSubstance baryon Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy). phenio.json baryons http://purl.obolibrary.org/obo/CHEBI_36339 3_STAR
CHEBI:36340 biolink:ChemicalSubstance fermion Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi. phenio.json fermion|fermions http://purl.obolibrary.org/obo/CHEBI_36340 3_STAR
CHEBI:36341 biolink:ChemicalSubstance boson Particle of integer spin quantum number following Bose-Einstein statistics. Bosons are named after Satyendra Nath Bose. phenio.json boson|bosons http://purl.obolibrary.org/obo/CHEBI_36341 3_STAR
CHEBI:36342 biolink:ChemicalSubstance subatomic particle A particle smaller than an atom. Wikipedia:Subatomic_particle phenio.json subatomic particles http://purl.obolibrary.org/obo/CHEBI_36342 3_STAR
CHEBI:36343 biolink:ChemicalSubstance composite particle A subatomic particle known to have substructure (i.e. consisting of smaller particles). phenio.json composite particles http://purl.obolibrary.org/obo/CHEBI_36343 3_STAR
CHEBI:36344 biolink:ChemicalSubstance hadron Hadron is a subatomic particle which experiences the strong force. phenio.json hadrons http://purl.obolibrary.org/obo/CHEBI_36344 3_STAR
CHEBI:36347 biolink:ChemicalSubstance nuclear particle A nucleus or any of its constituents in any of their energy states. phenio.json nuclear particle http://purl.obolibrary.org/obo/CHEBI_36347 3_STAR
CHEBI:36357 biolink:ChemicalSubstance polyatomic entity Any molecular entity consisting of more than one atom. phenio.json polyatomic entities http://purl.obolibrary.org/obo/CHEBI_36357 3_STAR
CHEBI:36358 biolink:ChemicalSubstance polyatomic ion An ion consisting of more than one atom. phenio.json polyatomic ions http://purl.obolibrary.org/obo/CHEBI_36358 3_STAR
CHEBI:36359 biolink:ChemicalSubstance phosphorus oxoacid derivative phenio.json phosphorus oxoacid derivative http://purl.obolibrary.org/obo/CHEBI_36359 3_STAR
CHEBI:3636 biolink:ChemicalSubstance chloroprocaine Procaine in which one of the hydrogens ortho- to the carboxylic acid group is substituted by chlorine. It is used as its monohydrochloride salt as a local anaesthetic, particularly for oral surgery. It has the advantage over lidocaine of constricting blood vessels, so reducing bleeding. Beilstein:2808071|CAS:133-16-4|DrugBank:DB01161|Drug_Central:605|KEGG:C07877|KEGG:D07678|Wikipedia:Chloroprocaine phenio.json 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate|2-chloroprocaine|4-amino-2-chlorobenzoic acid 2-(diethylamino)ethyl ester|Chloroprocaine|chloroprocain|chloroprocaine|chloroprocainum|cloroprocaina http://purl.obolibrary.org/obo/CHEBI_3636 3_STAR
CHEBI:36360 biolink:ChemicalSubstance phosphorus oxoacids and derivatives phenio.json http://purl.obolibrary.org/obo/CHEBI_36360 1_STAR
CHEBI:36361 biolink:ChemicalSubstance phosphorous acid CAS:10294-56-1|Gmelin:164068 phenio.json H3PO3|P(OH)3|[P(OH)3]|phosphite|phosphorige Saeure|phosphorous acid|trihydrogen trioxophosphate(3-)|trihydroxidophosphorus|trioxophosphoric(3-) acid http://purl.obolibrary.org/obo/CHEBI_36361 3_STAR
CHEBI:36364 biolink:ChemicalSubstance alkaline earth salt phenio.json alkaline earth salts http://purl.obolibrary.org/obo/CHEBI_36364 3_STAR
CHEBI:36373 biolink:ChemicalSubstance vindesine Beilstein:7162300|CAS:53643-48-4|DrugBank:DB00309 phenio.json 3-(aminocarbonyl)-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine|3-carbamoyl-4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine|3-carbamoyl-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine|desacetylvinblastine amide|methyl (5S,7S,9S)-9-[(2beta,3beta,4beta,5alpha,12beta,19alpha)-3-carbamoyl-3,4-dihydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidin-15-yl]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate http://purl.obolibrary.org/obo/CHEBI_36373 3_STAR
CHEBI:36378 biolink:ChemicalSubstance urobilin Beilstein:3027217|CAS:1856-98-0|KEGG:C05794 phenio.json 3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid|3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid|3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,4,5,15,16,19,22,24-octahydro-21H-biline-8,12-dipropanoic acid|8,12-bis(2-carboxyethyl)-3,18-diethyl-2,7,13,17-tetramethylbilene-b-1,19(4H,16H)-dione|I-Urobilin|urobilin http://purl.obolibrary.org/obo/CHEBI_36378 3_STAR
CHEBI:3638 biolink:ChemicalSubstance chloroquine An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis. CAS:54-05-7|DrugBank:DB00608|Drug_Central:607|Gmelin:781126|HMDB:HMDB0014746|KEGG:C07625|KEGG:D02366|LINCS:LSM-1901|PDBeChem:CLQ|PMID:11198399|PMID:17594118|PMID:18052874|PMID:19426658|PMID:23288916|PMID:23580861|PMID:23635029|PMID:23644906|PMID:23706562|PMID:23852712|PMID:23891850|PMID:25285162|Patent:DE683692|Patent:US2233970|Reaxys:482809|Wikipedia:Chloroquine phenio.json Aralen|Artrichin|Bemaphate|Capquin|Chlorochin|Chloroquine|N(4)-(7-chloro-4-quinolinyl)-N(1),N(1)-diethyl-1,4-pentanediamine|N(4)-(7-chloroquinolin-4-yl)-N(1),N(1)-diethylpentane-1,4-diamine|Nivaquine B|Resoquine|Reumachlor|Sanoquin|chloroquine|chloroquinum|cloroquina http://purl.obolibrary.org/obo/CHEBI_3638 3_STAR
CHEBI:36380 biolink:ChemicalSubstance emetan phenio.json emetan http://purl.obolibrary.org/obo/CHEBI_36380 3_STAR
CHEBI:36386 biolink:ChemicalSubstance dichloroacetic acid An organochlorine compound comprising acetic acid carrying two chloro substituents at the 2-position. It occurs in nature in seaweed, Asparagopsis taxiformis. CAS:79-43-6|DrugBank:DB08809|Drug_Central:862|Gmelin:2477|KEGG:C11149|LINCS:LSM-5314|MetaCyc:CPD-9674|PDBeChem:TF4|PMID:24112699|Reaxys:1098596|Wikipedia:Dichloroacetic_acid phenio.json 2,2-dichloroacetic acid|DICHLORO-ACETIC ACID|Dichloressigsaeure|Dichloroacetate|bichloracetic acid|dichloracetic acid|dichloroacetic acid http://purl.obolibrary.org/obo/CHEBI_36386 3_STAR
CHEBI:36387 biolink:ChemicalSubstance chloroalkene A compound derived from an alkene by replacing a hydrogen atom with a chlorine atom. phenio.json chloroalkenes http://purl.obolibrary.org/obo/CHEBI_36387 3_STAR
CHEBI:36388 biolink:ChemicalSubstance saturated organic heterocyclic parent phenio.json saturated heterocyclic parent hydride|saturated heterocyclic parent hydrides|saturated organic heterocyclic parents http://purl.obolibrary.org/obo/CHEBI_36388 3_STAR
CHEBI:36389 biolink:ChemicalSubstance saturated organic heteromonocyclic parent phenio.json saturated heteromonocyclic parent hydride|saturated heteromonocyclic parent hydrides|saturated organic heteromonocyclic parents http://purl.obolibrary.org/obo/CHEBI_36389 3_STAR
CHEBI:3639 biolink:ChemicalSubstance chlorothalonil A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops. CAS:1897-45-6|KEGG:C11037|PMID:11016668|PMID:14575671|PMID:17482661|PMID:23116300|PMID:23866729|PMID:24455968|PMID:24984836|PMID:24990551|PPDB:150|Patent:US3290353|Patent:US3652637|Pesticides:chlorothalonil|Reaxys:1978326|Wikipedia:Chlorothalonil phenio.json 1,3-Dicyanotetrachlorobenzene|2,4,5,6-Tetrachloro-3-cyanobenzonitrile|2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile|Chlorothalonil|Daconil|TPN|Tetrachloroisophthalonitrile|chlorothalonil|m-TCPN|m-Tetrachlorophthalonitrile|meta-TCPN|meta-Tetrachlorophthalodinitrile http://purl.obolibrary.org/obo/CHEBI_3639 3_STAR
CHEBI:3640 biolink:ChemicalSubstance chlorothiazide 4H-1,2,4-benzothiadiazine 1,1-dioxide in which the hydrogen at position is substituted by chlorine and that at position 7 is substituted by a sulfonamide group. A diuretic, it is used for treatment of oedema and hypertension. Beilstein:1084805|CAS:58-94-6|DrugBank:DB00880|Drug_Central:609|KEGG:C07461|KEGG:D00519|LINCS:LSM-5942|PMID:10891117|PMID:2160536|PMID:28166217|PMID:29438107|PMID:3712385|Patent:US2809194|Wikipedia:Chlorothiazide phenio.json 6-Chloro-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[1,2,4]thiadiazine-7-sulfonic acid amide|6-chloro-4H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|6-chloro-7-sulfamoyl-2H-1,2,4-benzothiadiazine 1,1-dioxide|Chlorothiazide|chlorothiazide|chlorothiazidum|clorotiazida http://purl.obolibrary.org/obo/CHEBI_3640 3_STAR
CHEBI:36401 biolink:ChemicalSubstance cycloalkadiene An unsaturated monocyclic hydrocarbon having two endocyclic double bonds. phenio.json cycloalkadiene|cycloalkadienes http://purl.obolibrary.org/obo/CHEBI_36401 3_STAR
CHEBI:36402 biolink:ChemicalSubstance cycloalkatriene An unsaturated monocyclic hydrocarbon having three endocyclic double bonds. phenio.json cycloalkatriene|cycloalkatrienes http://purl.obolibrary.org/obo/CHEBI_36402 3_STAR
CHEBI:36403 biolink:ChemicalSubstance monocyclic olefin A monocyclic hydrocarbon having any number of double bonds. phenio.json monocyclic olefins http://purl.obolibrary.org/obo/CHEBI_36403 3_STAR
CHEBI:36404 biolink:ChemicalSubstance cyclohexene A cycloalkene that is cylohexane with a single double bond. CAS:110-83-8|Gmelin:1659|PMID:24227283|Reaxys:906737|Wikipedia:Cyclohexene phenio.json 1,2,3,4-tetrahydrobenzene|1-cyclohexene|3,4,5,6-tetrahydrobenzene|Zyklohexen|benzene tetrahydride|benzenetetrahydride|cyclohex-1-ene|cyclohexene|tetrahydrobenzene http://purl.obolibrary.org/obo/CHEBI_36404 3_STAR
CHEBI:36405 biolink:ChemicalSubstance 2-aminohexanoic acid An alpha-amino acid that is caproic acid substituted by an amino group at position 2. CAS:616-06-8|Gmelin:464584|PMID:22770225|Reaxys:1721748|Wikipedia:Norleucine phenio.json 2-aminohexanoic acid|Nle|norleucine http://purl.obolibrary.org/obo/CHEBI_36405 3_STAR
CHEBI:3641 biolink:ChemicalSubstance chlorotrianisene Beilstein:1891845|CAS:569-57-3|DrugBank:DB00269|Drug_Central:610|KEGG:D00269|LINCS:LSM-5411|Patent:GB561508|Patent:US2430891|Wikipedia:Chlorotrianisene phenio.json 1,1',1''-(2-chloroethene-1,1,2-triyl)tris(4-methoxybenzene)|Chloortrianisestrol|Chlorestrolo|Chlorotrianisine|Chlorotrianizen|Chlortrianisen|Chlortrianisestrol|Chlortrianisoestrolum|Chlortrianizen|chlorotrianisene|chlorotrianisenum|clorotrianiseno http://purl.obolibrary.org/obo/CHEBI_3641 3_STAR
CHEBI:36413 biolink:ChemicalSubstance anabolic agent A compound which stimulates anabolism and inhibits catabolism. Anabolic agents stimulate the development of muscle mass, strength, and power. phenio.json http://purl.obolibrary.org/obo/CHEBI_36413 3_STAR
CHEBI:36416 biolink:ChemicalSubstance mancude organic heterotricyclic parent phenio.json mancude organic heterotricyclic parents|mancude-ring organic heterotricyclic parents http://purl.obolibrary.org/obo/CHEBI_36416 3_STAR
CHEBI:36417 biolink:ChemicalSubstance phenanthroline CAS:12678-01-2 phenio.json phenanthroline http://purl.obolibrary.org/obo/CHEBI_36417 3_STAR
CHEBI:36420 biolink:ChemicalSubstance acridine A polycyclic heteroarene that is anthracene in which one of the central CH groups is replaced by a nitrogen atom. CAS:260-94-6|Gmelin:143403|PMID:11924543|PMID:24416442|Reaxys:120200|Wikipedia:Acridine phenio.json 10-azaanthracene|2,3,5,6-dibenzopyridine|2,3-benzoquinoline|9-azaanthracene|Akridin|acridine|acrydine|benzo[b]quinoline|dibenzo[b,e]pyridine http://purl.obolibrary.org/obo/CHEBI_36420 3_STAR
CHEBI:36421 biolink:ChemicalSubstance phenanthridine An azaarene that is the 9-aza derivative of phenanthrene. The parent of the class of phenanthridines. CAS:229-87-8|PMID:18522130|PMID:24452525|PMID:24547771|Reaxys:120204|Wikipedia:Phenanthridine phenio.json 3,4-benzoisoquinoline|3,4-benzoquinoline|6-phenanthridine|9-azaphenanthrene|benzo[c]quinoline|phenanthridine http://purl.obolibrary.org/obo/CHEBI_36421 3_STAR
CHEBI:36432 biolink:ChemicalSubstance 2-methylbut-2-enoic acid A branched-chain fatty acid consisting of 2-butenoic acid having a methyl group at position 2. CAS:13201-46-2|Gmelin:217675|PMID:7558511|Reaxys:8541120 phenio.json 2,3-dimethylacrylic acid|2-methyl-2-butenoic acid|2-methylbut-2-enoic acid|2-methylcrotonic acid|alpha-methylcrotonic acid|methylmethacrylic acid|tiglic acid http://purl.obolibrary.org/obo/CHEBI_36432 3_STAR
CHEBI:36434 biolink:ChemicalSubstance octadecatrienoate A C18, straight-chain, unsaturated long-chain fatty acid anion and the conjugate base of its corresponding octadecatrienoic acid, formed by deprotonation of the carboxylic acid group. phenio.json Octadecatrienoat|octadecatrienoate|octadecatrienoates http://purl.obolibrary.org/obo/CHEBI_36434 3_STAR
CHEBI:36438 biolink:ChemicalSubstance (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate An unsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid. KEGG:C04672 phenio.json (9Z)-(13S)-12,13-Epoxyoctadeca-9,11,15-trienoate|(9Z)-11-{(3S)-3-[(2Z)-pent-2-en-1-yl]oxiran-2-ylidene}undec-9-enoate|(9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoate http://purl.obolibrary.org/obo/CHEBI_36438 3_STAR
CHEBI:36445 biolink:ChemicalSubstance alkylglucosinolate phenio.json alkylglucosinolates http://purl.obolibrary.org/obo/CHEBI_36445 3_STAR
CHEBI:364453 biolink:ChemicalSubstance carprofen Propanoic acid in which one of the methylene hydrogens is substituted by a 6-chloro-9H-carbazol-2-yl group. A non-steroidal anti-inflammatory drug, it is no longer used in human medicine but is still used for treatment of arthritis in elderly dogs. CAS:53716-49-7|DrugBank:DB00821|Drug_Central:518|KEGG:C18364|KEGG:D03410|LINCS:LSM-1350|PMID:11262075|PMID:15974585|PMID:17181139|PMID:21561314|PMID:6884551|Patent:DE2337340|Patent:US3896145|Reaxys:487098|VSDB:1788|Wikipedia:Carprofen phenio.json (+-)-6-chloro-alpha-methylcarbazole-2-acetic acid|(+/-)-2-(3-chloro-9H-carbazol-7-yl)propanoic acid|2-(6-Chloro-9H-carbazol-2-yl)-propionic acid|2-(6-chloro-9H-carbazol-2-yl)propanoic acid|6-chloro-alpha-methyl-9H-carbazole-2-acetic acid|carprofen|carprofene|carprofeno|carprofenum http://purl.obolibrary.org/obo/CHEBI_364453 3_STAR
CHEBI:36451 biolink:ChemicalSubstance alkenylglucosinolate A glucosinolate that is the conjugate base of alkenylglucosinolic acid. phenio.json alkenylglucosinolates http://purl.obolibrary.org/obo/CHEBI_36451 3_STAR
CHEBI:36453 biolink:ChemicalSubstance isocitrate(2-) phenio.json hydrogen isocitrate http://purl.obolibrary.org/obo/CHEBI_36453 3_STAR
CHEBI:36454 biolink:ChemicalSubstance isocitrate(1-) phenio.json dihydrogen isocitrate http://purl.obolibrary.org/obo/CHEBI_36454 3_STAR
CHEBI:36455 biolink:ChemicalSubstance homoisocitrate(2-) phenio.json hydrogen 1-hydroxybutane-1,2,4-tricarboxylate|hydrogen homoisocitrate http://purl.obolibrary.org/obo/CHEBI_36455 3_STAR
CHEBI:36456 biolink:ChemicalSubstance homoisocitrate(1-) phenio.json dihydrogen 1-hydroxybutane-1,2,4-tricarboxylate|dihydrogen homoisocitrate http://purl.obolibrary.org/obo/CHEBI_36456 3_STAR
CHEBI:36457 biolink:ChemicalSubstance homocitrate(3-) Tricarboxylate anion of homocitric acid. KEGG:C01251 phenio.json 2-Hydroxybutane-1,2,4-tricarboxylate|2-hydroxybutane-1,2,4-tricarboxylate|3-hydroxy-3-carboxyadipate|Homocitrate|homocitrate http://purl.obolibrary.org/obo/CHEBI_36457 3_STAR
CHEBI:36458 biolink:ChemicalSubstance homocitrate(2-) phenio.json http://purl.obolibrary.org/obo/CHEBI_36458 3_STAR
CHEBI:36459 biolink:ChemicalSubstance homocitrate(1-) phenio.json http://purl.obolibrary.org/obo/CHEBI_36459 3_STAR
CHEBI:36460 biolink:ChemicalSubstance (E)-glutaconate(2-) The (E)-isomer of glutaconate(2-). KEGG:C02214 phenio.json (2E)-pent-2-enedioate|(E)-Glutaconate|trans-Glutaconate|trans-glutaconate http://purl.obolibrary.org/obo/CHEBI_36460 3_STAR
CHEBI:36461 biolink:ChemicalSubstance (E)-glutaconate(1-) phenio.json http://purl.obolibrary.org/obo/CHEBI_36461 3_STAR
CHEBI:36462 biolink:ChemicalSubstance glutaconate(1-) phenio.json http://purl.obolibrary.org/obo/CHEBI_36462 3_STAR
CHEBI:36464 biolink:ChemicalSubstance (R)-mevalonate The (R)-enantiomer of mevalonate. KEGG:C00418|MetaCyc:MEVALONATE|PDBeChem:MEV phenio.json (3R)-3,5-dihydroxy-3-methylpentanoate|(3R)-3,5-dihydroxy-3-methylvalerate|(3R)-mevalonate|(R)-3,5-dihydroxy-3-methylpentanoate|(R)-mevalonate|(R)-mevalonic acid anion|(R)-mevalonic acid(1-)|D-mevalonate http://purl.obolibrary.org/obo/CHEBI_36464 3_STAR
CHEBI:36465 biolink:ChemicalSubstance cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylate The anion resulting from the removal of a proton from the carboxylic acid group of cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid. phenio.json 1,2t-dihydroxycyclohexa-3,5-diene-1r-carboxylate|1,t-2-dihydroxycyclohexa-3,5-diene-r-1-carboxylate|cis-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylate|rel-(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylate http://purl.obolibrary.org/obo/CHEBI_36465 3_STAR
CHEBI:36468 biolink:ChemicalSubstance polycyclic ether phenio.json polycyclic ethers http://purl.obolibrary.org/obo/CHEBI_36468 3_STAR
CHEBI:3647 biolink:ChemicalSubstance chlorpromazine A substituted phenothiazine in which the ring nitrogen at position 10 is attached to C-3 of an N,N-dimethylpropanamine moiety. CAS:50-53-3|DrugBank:DB00477|Drug_Central:621|HMDB:HMDB0014620|KEGG:C06906|KEGG:D00270|LINCS:LSM-4017|PDBeChem:Z80|PMID:14354584|PMID:14404586|PMID:15170372|PMID:1650428|PMID:16653219|PMID:20825390|PMID:2427628|PMID:7192992|Patent:US2645640|Reaxys:289793|Wikipedia:Chlorpromazine phenio.json 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethyl-1-propanamine|3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine|3-(2-chlorophenothiazin-10-yl)-N,N-dimethyl-propan-1-amine|Aminazine|CPZ|Chlorderazin|Chloropromazine|Chlorpromados|Chlorpromazine|Contomin|Largactil|N-(3-dimethylaminopropyl)-3-chlorophenothiazine|Thorazine|chlorpromazine|chlorpromazinum|clorpromazina http://purl.obolibrary.org/obo/CHEBI_3647 3_STAR
CHEBI:36470 biolink:ChemicalSubstance quinazoline alkaloid Any alkaloid based on a quinazoline skeleton and its substituted derivatives. phenio.json quinazoline alkaloids http://purl.obolibrary.org/obo/CHEBI_36470 3_STAR
CHEBI:36474 biolink:ChemicalSubstance drimane Beilstein:2959385 phenio.json (4aR,5S,6S,8aS)-1,1,4a,5,6-pentamethyldecahydronaphthalene|drimane http://purl.obolibrary.org/obo/CHEBI_36474 3_STAR
CHEBI:36477 biolink:ChemicalSubstance sulfoglycosphingolipid phenio.json sulfoglycosphingolipids http://purl.obolibrary.org/obo/CHEBI_36477 3_STAR
CHEBI:36480 biolink:ChemicalSubstance bisabolane A cycloalkane that is cyclohexane substituted by a methyl group at position 1 and by a 6-methylheptan-2-yl at position 4. Its skeleton structure is found in many sesquiterpenes and sesquiterpenoids. Beilstein:2037504|CAS:29799-19-7|LIPID_MAPS_instance:LMPR0103060000 phenio.json 1-(1,5-dimethylhexyl)-4-methylcyclohexane|1-methyl-4-(6-methylheptan-2-yl)cyclohexane|2-methyl-6-(4-methylcyclohexyl)-heptane|2-methyl-6-(4-methylcyclohexyl)heptane|bisabolane http://purl.obolibrary.org/obo/CHEBI_36480 3_STAR
CHEBI:36481 biolink:ChemicalSubstance oleanane Beilstein:3140799 phenio.json oleanane http://purl.obolibrary.org/obo/CHEBI_36481 3_STAR
CHEBI:36482 biolink:ChemicalSubstance hopane Beilstein:2217001|CAS:471-62-5 phenio.json A'-neogammacerane|hopane http://purl.obolibrary.org/obo/CHEBI_36482 3_STAR
CHEBI:36483 biolink:ChemicalSubstance protostane phenio.json protostane http://purl.obolibrary.org/obo/CHEBI_36483 3_STAR
CHEBI:36485 biolink:ChemicalSubstance lupane Beilstein:2562721|CAS:464-99-3 phenio.json lupane http://purl.obolibrary.org/obo/CHEBI_36485 3_STAR
CHEBI:36486 biolink:ChemicalSubstance 13-(beta-D-glucosyloxy)docosanoic acid A beta-D-glucoside consisting of docosanoic (behenic) acid having a beta-D-glucosyloxy group at position 13. KEGG:C04103 phenio.json 13-(beta-D-glucopyranosyloxy)docosanoic acid http://purl.obolibrary.org/obo/CHEBI_36486 3_STAR
CHEBI:36487 biolink:ChemicalSubstance 13-(beta-D-glucosyloxy)docosanoate A monocarboxylic acid anion that is the conjugate base of 13-(beta-D-glucosyloxy)docosanoic acid, arising from deprotonation of the carboxy group. KEGG:C04103|MetaCyc:CPD-803 phenio.json 13-(beta-D-glucopyranosyloxy)docosanoate|13-(beta-D-glucosyloxy)docosanoate|13-beta-D-Glucosyloxydocosanoate http://purl.obolibrary.org/obo/CHEBI_36487 3_STAR
CHEBI:36488 biolink:ChemicalSubstance dammarane Beilstein:2530192|CAS:545-22-2 phenio.json dammarane http://purl.obolibrary.org/obo/CHEBI_36488 3_STAR
CHEBI:36498 biolink:ChemicalSubstance galactosylceramide Any of the cerebrosides in which the monosaccharide head group is galactose. KEGG:C02686|KEGG:G11121|PMID:16758576|PMID:17855742|PMID:2088646|PMID:23065187|PMID:23446636|PMID:23650721|PMID:25947378|PMID:26058499|PMID:26907993|PMID:27786470 phenio.json Cerebroside|D-Galactosyl-N-acylsphingosine|D-Galactosylceramide|Galactocerebroside|a D-galactosylceramide|galactocerebroside|galactocerebrosides|galactosylceramides http://purl.obolibrary.org/obo/CHEBI_36498 3_STAR
CHEBI:365 biolink:ChemicalSubstance haloxyfop A racemate comprising equimolar amounts of haloxyfop-P (the more active, R enantiomer) and (S)-haloxyfop (the less active enantiomer). A post-emergence herbicide used to control annual and perennial grass weeds. Commercial use of the racemate was phased out in favour of the most active enantiomer, used as the proherbicide esters haloxyfop-P-methyl and haloxyfop-P-etotyl. CAS:69806-34-4|KEGG:C04871|PMID:22119241|PMID:23189275|PMID:25128890|PMID:2568910|PMID:25742180|PMID:25742319|PMID:28058522|Pesticides:haloxyfop|Reaxys:1507817 phenio.json (RS)-2-[4-(3-Chloro-5-(trifluoromethyl-2-pyridyloxy)phenoxy]-propionic acid|(RS)-2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionic acid|2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid|haloxyfop-acid|rac-(2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid|rac-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid http://purl.obolibrary.org/obo/CHEBI_365 3_STAR
CHEBI:3650 biolink:ChemicalSubstance chlorpropamide An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is substituted by 4-chlorobenzenesulfonyl group and a hydrogen attached to the other nitrogen is substituted by propyl group. Chlorpropamide is a hypoglycaemic agent used in the treatment of type 2 (non-insulin-dependent) diabetes mellitus not responding to dietary modification. CAS:94-20-2|DrugBank:DB00672|Drug_Central:622|HMDB:HMDB0014810|KEGG:D00271|LINCS:LSM-6695|PMID:10891117|PMID:2657066|PMID:3806586|Patent:GB853555|Patent:US3349124|Reaxys:2218363|Wikipedia:Chlorpropamide phenio.json 1-(p-chlorobenzenesulfonyl)-3-propylurea|1-(p-chlorophenylsulfonyl)-3-propylurea|1-propyl-3-(p-chlorobenzenesulfonyl)urea|4-chloro-N-((propylamino)carbonyl)benzenesulfonamide|4-chloro-N-[(propylamino)carbonyl]benzenesulfonamide|CHLORPROPAMIDE|N-(4-chlorophenylsulfonyl)-N'-propylurea|N-(p-chlorobenzenesulfonyl)-N'-propylurea|chlorpropamide|chlorpropamidum|clorpropamida|n-propyl-N'-(p-chlorobenzenesulfonyl)urea|n-propyl-N'-p-chlorophenylsulfonylcarbamide http://purl.obolibrary.org/obo/CHEBI_3650 3_STAR
CHEBI:36500 biolink:ChemicalSubstance glucosylceramide Any of the cerebrosides in which the monosaccharide head group is glucose. PMID:16758576 phenio.json http://purl.obolibrary.org/obo/CHEBI_36500 3_STAR
CHEBI:36501 biolink:ChemicalSubstance (2Z,4Z)-5-carboxypenta-2,4-dienoate A dicarboxylic acid monoanion that is the conjugate base of cis,cis-muconic acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_36501 3_STAR
CHEBI:36503 biolink:ChemicalSubstance menthone The trans-stereoisomer of p-menthan-3-one. Beilstein:10073224|CAS:89-80-5 phenio.json (2R,5S)-rel-5-methyl-2-(1-methylethyl)cyclohexanone|menthone|rel-(1R,4S)-p-menthan-3-one|rel-(2R,5S)-2-isopropyl-5-methylcyclohexanone|rel-(2R,5S)-5-methyl-2-(propan-2-yl)cyclohexanone|trans-5-methyl-2-(1-methylethyl)cyclohexanone|trans-menthan-3-one|trans-menthone|trans-p-menthan-3-one http://purl.obolibrary.org/obo/CHEBI_36503 3_STAR
CHEBI:36504 biolink:ChemicalSubstance 5-carboxypenta-2,4-dienoate phenio.json http://purl.obolibrary.org/obo/CHEBI_36504 3_STAR
CHEBI:36505 biolink:ChemicalSubstance labdane Beilstein:6774712 phenio.json labdane http://purl.obolibrary.org/obo/CHEBI_36505 3_STAR
CHEBI:36507 biolink:ChemicalSubstance D-galactosyl-N-acetyl-D-glucosaminyl-D-galactosyl-D-glucosylceramide phenio.json http://purl.obolibrary.org/obo/CHEBI_36507 1_STAR
CHEBI:36508 biolink:ChemicalSubstance glycotriaosylceramide phenio.json http://purl.obolibrary.org/obo/CHEBI_36508 1_STAR
CHEBI:3651 biolink:ChemicalSubstance chlorprothixene Beilstein:89898|DrugBank:DB01239|HMDB:HMDB0015369|KEGG:C07953|KEGG:D00790|LINCS:LSM-3310|Patent:GB829763|Patent:US3046283 phenio.json 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine|Alpha-Chlorprothixene|Chlorprothixen|Chlorprothixene|Chlorprothixine|Chlorprotixen|Chlorprotixene|Chlorprotixine|Chlothixen|chlorprothixene|chlorprothixenum|clorprotixeno http://purl.obolibrary.org/obo/CHEBI_3651 3_STAR
CHEBI:36511 biolink:ChemicalSubstance 4,4'-diisothiocyanostilbene-2,2'-disulfonic acid Beilstein:6543839|LINCS:LSM-4542 phenio.json 2,2'-ethene-1,2-diylbis(5-isothiocyanatobenzenesulfonic acid)|5,5'-diisothiocyanato-2,2'-(ethene-1,2-diyl)dibenzenesulfonic acid http://purl.obolibrary.org/obo/CHEBI_36511 3_STAR
CHEBI:36513 biolink:ChemicalSubstance cadinane A sesquiterpene consisting of decalin having two methyl substituents at the 1- and 6-positions, an isopropyl substituent at the 4-position and (1S,4S,4aS,6S,8aS)-configuration. Beilstein:1433 phenio.json (1S,4S,4aS,6S,8aS)-1,6-dimethyl-4-(propan-2-yl)decahydronaphthalene|(1S,4S,4aS,6S,8aS)-4-isopropyl-1,6-dimethyldecahydronaphthalene|cadinane http://purl.obolibrary.org/obo/CHEBI_36513 3_STAR
CHEBI:36514 biolink:ChemicalSubstance germacrane The fundamental parent of a class of sesquiterpenes with a structure based upon a cyclodecane ring substituted with an isopropyl and two methyl groups. phenio.json (1R,4s,7S)-1,7-dimethyl-4-(propan-2-yl)cyclodecane|(1R,4s,7S)-4-isopropyl-1,7-dimethylcyclodecane|germacrane http://purl.obolibrary.org/obo/CHEBI_36514 3_STAR
CHEBI:36515 biolink:ChemicalSubstance (-)-germacrene A Beilstein:2502353|CAS:28387-44-2 phenio.json (-)-germacrene A|(1E,4E,7betaH)-germacra-1(10),4,11(12)-triene|(1E,5E,8S)-1,5-dimethyl-8-(1-methylethenyl)-1,5-cyclodecadiene|(1E,5E,8S)-8-isopropenyl-1,5-dimethylcyclodeca-1,5-diene|(E,E)-germacra-3,9,11-triene|[S-(E,E)]-1,5-dimethyl-8-(1-methylethenyl)-1,5-cyclodecadiene|germacrene A http://purl.obolibrary.org/obo/CHEBI_36515 3_STAR
CHEBI:36517 biolink:ChemicalSubstance germacrene A Beilstein:6500908 phenio.json (1E,4E,7xi)-germacra-1(10),4,11(12)-triene|Germacren A|germacrene A http://purl.obolibrary.org/obo/CHEBI_36517 3_STAR
CHEBI:36520 biolink:ChemicalSubstance oligoglycosylceramide phenio.json http://purl.obolibrary.org/obo/CHEBI_36520 1_STAR
CHEBI:36521 biolink:ChemicalSubstance eremophilane Beilstein:2498022 phenio.json (1S,4aR,7R,8aR)-1,8a-dimethyl-7-(propan-2-yl)decahydronaphthalene|(1S,4aR,7R,8aR)-7-isopropyl-1,8a-dimethyldecahydronaphthalene|eremophilane http://purl.obolibrary.org/obo/CHEBI_36521 3_STAR
CHEBI:36522 biolink:ChemicalSubstance eudesmane Beilstein:2498027|CAS:473-11-0 phenio.json (1R,4aR,7R,8aS)-1,4a-dimethyl-7-(propan-2-yl)decahydronaphthalene|(1R,4aR,7R,8aS)-7-isopropyl-1,4a-dimethyldecahydronaphthalene|eudesmane http://purl.obolibrary.org/obo/CHEBI_36522 3_STAR
CHEBI:36523 biolink:ChemicalSubstance humulane Beilstein:1902327 phenio.json 1,1,4,8-tetramethylcycloundecane|humulane http://purl.obolibrary.org/obo/CHEBI_36523 3_STAR
CHEBI:36524 biolink:ChemicalSubstance guaiane Beilstein:2038180 phenio.json (1S,3aS,4S,7R,8aS)-1,4-dimethyl-7-(propan-2-yl)decahydroazulene|(1S,3aS,4S,7R,8aS)-7-isopropyl-1,4-dimethyldecahydroazulene|guaiane http://purl.obolibrary.org/obo/CHEBI_36524 3_STAR
CHEBI:36526 biolink:ChemicalSubstance acidic glycosphingolipid phenio.json http://purl.obolibrary.org/obo/CHEBI_36526 1_STAR
CHEBI:36527 biolink:ChemicalSubstance glycosylsphingoid phenio.json http://purl.obolibrary.org/obo/CHEBI_36527 1_STAR
CHEBI:36529 biolink:ChemicalSubstance aristolochene An octahydronaphthalene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted at positions 4 and 4a by methyl groups, and a position 6 by an isopropenyl group. Beilstein:3938212 phenio.json rel-(4R,4aS,6R)-4,4a-dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene http://purl.obolibrary.org/obo/CHEBI_36529 3_STAR
CHEBI:36530 biolink:ChemicalSubstance cedrane Beilstein:3194876|CAS:13567-54-9 phenio.json (1S,2R,5S,7S,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.0(1,5)]undecane|[3R-(3alpha,3abeta,6alpha,7beta,8aalpha)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene|alpha-cedrane|cedrane http://purl.obolibrary.org/obo/CHEBI_36530 3_STAR
CHEBI:36534 biolink:ChemicalSubstance 2,6,10-trimethyldodeca-2,6,10-triene phenio.json 2,6,10-trimethyldodeca-2,6,10-triene http://purl.obolibrary.org/obo/CHEBI_36534 3_STAR
CHEBI:36536 biolink:ChemicalSubstance himachalane Beilstein:2234965 phenio.json (4aS,9aS)-2,5,9,9-tetramethyldecahydro-1H-benzo[7]annulene|himachalane http://purl.obolibrary.org/obo/CHEBI_36536 3_STAR
CHEBI:36537 biolink:ChemicalSubstance 6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoate A 6-oxo monocarboxylic acid anion which is obtained by removal of a proton from the carboxylic acid group of 6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid. KEGG:C08062 phenio.json 2-hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate|6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoate|6-(2-aminophenyl)-6-oxo-2-hydroxy-2,4-hexadienoic acid(1-) http://purl.obolibrary.org/obo/CHEBI_36537 3_STAR
CHEBI:36539 biolink:ChemicalSubstance kaurane Beilstein:6791834 phenio.json kaurane http://purl.obolibrary.org/obo/CHEBI_36539 3_STAR
CHEBI:3654 biolink:ChemicalSubstance chlorthalidone Beilstein:312295|CAS:77-36-1|DrugBank:DB00310|Drug_Central:625|KEGG:D00272|LINCS:LSM-1417|Wikipedia:Chlorthalidone phenio.json 1-keto-3-(3'-sulfamyl-4'-chlorophenyl)-3-hydroxyisoindoline|1-oxo-3-(3-sulfamyl-4-chlorophenyl)-3-hydroxyisoindoline|2-chloro-5-(1-hydroxy-3-oxo-1-isoindolinyl)benzenesulfonamide|2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)benzenesulfonamide|2-chloro-5-(2,3-dihydro-1-hydroxy-3-oxo-1H-isoindol-1-yl)benzenesulfonamide|3-(4'-chloro-3'-sulfamoylphenyl)-3-hydroxyphthalimidine|3-hydroxy-3-(4-chloro-3-sulfamylphenyl)phthalimidine|Chlortalidone|Chlorthalidone|chlorphthalidolone|phthalamodine|phthalamudine http://purl.obolibrary.org/obo/CHEBI_3654 3_STAR
CHEBI:36540 biolink:ChemicalSubstance ent-kaurane Beilstein:2043842 phenio.json http://purl.obolibrary.org/obo/CHEBI_36540 3_STAR
CHEBI:36541 biolink:ChemicalSubstance sialotriaosylceramide A ganglioside in which the oligosaccharide portion is composed of a trisaccharide, to which one or more sialic acid residues are attached. phenio.json http://purl.obolibrary.org/obo/CHEBI_36541 3_STAR
CHEBI:36542 biolink:ChemicalSubstance sialopentaosylceramide A ganglioside in which the oligosaccharide portion is composed of a pentasaccharide containing one or more sialic acid residues. phenio.json http://purl.obolibrary.org/obo/CHEBI_36542 3_STAR
CHEBI:36543 biolink:ChemicalSubstance sialotetraosylceramide A ganglioside in which the oligosaccharide portion is composed of an tetrasaccharide, to which one or more sialic acid residues are attached. phenio.json http://purl.obolibrary.org/obo/CHEBI_36543 3_STAR
CHEBI:36544 biolink:ChemicalSubstance sialodiosylceramide A ganglioside in which the number of residues in the oligosaccharide chain is two. phenio.json sialodiosylceramides http://purl.obolibrary.org/obo/CHEBI_36544 3_STAR
CHEBI:36547 biolink:ChemicalSubstance pimarane Beilstein:2206363 phenio.json pimarane http://purl.obolibrary.org/obo/CHEBI_36547 3_STAR
CHEBI:3655 biolink:ChemicalSubstance chlorzoxazone A member of the class of 1,3-benzoxazoles that is 1,3-benzoxazol-2-ol in which the hydrogen atom at position 5 is substituted by chlorine. A centrally acting muscle relaxant with sedative properties, it is used for the symptomatic treatment of painful muscle spasm. CAS:95-25-0|DrugBank:DB00356|Drug_Central:626|HMDB:HMDB0014500|KEGG:C07931|KEGG:D00771|LINCS:LSM-6011|PDBeChem:CLW|PMID:10640318|PMID:11727787|PMID:12437348|PMID:16763012|PMID:16859676|PMID:17621748|PMID:21195386|PMID:23975871|PMID:24210069|PMID:25815637|PMID:6631711|Patent:US2895877|Reaxys:638882|Wikipedia:Chlorzoxazone phenio.json 2-hydroxy-5-chlorobenzoxazole|5-chloro-1,3-benzoxazol-2-ol|5-chloro-2(3H)-benzoxazolone|5-chloro-2-benzoxazolinone|5-chloro-2-benzoxazolol|5-chloro-2-benzoxazolone|5-chloro-2-hydroxybenzoxazole|5-chlorobenzoxazolidone|5-chlorobenzoxazolin-2-one|CHLORZOXAZONE|Chlorzoxazone|chlorzoxane|chlorzoxazona|chlorzoxazone|chlorzoxazonum http://purl.obolibrary.org/obo/CHEBI_3655 3_STAR
CHEBI:36550 biolink:ChemicalSubstance sorbate Beilstein:3931312 phenio.json hexa-2,4-dienoate http://purl.obolibrary.org/obo/CHEBI_36550 3_STAR
CHEBI:36555 biolink:ChemicalSubstance N-acetylanthranilic acid An amidobenzoic acid consisting of anthranilic acid carrying an N-acetyl group. CAS:89-52-1|KEGG:C06332|PDBeChem:ZZ8|Reaxys:880371 phenio.json 2-(Acetylamino)-benzoic acid|2-(Acetylamino)benzoic acid|2-Carboxyacetanilide|2-acetamidobenzoic acid|N-Acetylanthranilic acid|o-Acetamidobenzoic acid|o-Acetoaminobenzoic acid http://purl.obolibrary.org/obo/CHEBI_36555 3_STAR
CHEBI:36557 biolink:ChemicalSubstance N-methylanthranilate An aromatic amino-acid anion resulting from the removal of a proton from the carboxylic acid group of N-methylanthranilic acid. KEGG:C03005|Reaxys:3665603 phenio.json 2-(methylamino)benzoate|N-Methylanthranilate|N-methyl-o-aminobenzoic acid|N-methylanthranilate http://purl.obolibrary.org/obo/CHEBI_36557 3_STAR
CHEBI:36558 biolink:ChemicalSubstance 3-hydroxy-4-methylanthranilate The conjugate base of 3-hydroxy-4-methylanthranilic acid. KEGG:C03986 phenio.json 2-amino-3-hydroxy-4-methylbenzoate|3-hydroxy-4-methylanthranilate http://purl.obolibrary.org/obo/CHEBI_36558 3_STAR
CHEBI:36559 biolink:ChemicalSubstance 3-hydroxyanthranilate A hydroxybenzoate that is the conjugate base of 3-hydroxyanthranilic acid. KEGG:C00632|MetaCyc:3-HYDROXY-ANTHRANILATE phenio.json 2-amino-3-hydroxybenzoate|3-hydroxyanthranilate http://purl.obolibrary.org/obo/CHEBI_36559 3_STAR
CHEBI:36560 biolink:ChemicalSubstance zinc oxide CAS:1314-13-2|Drug_Central:4240|Gmelin:13738|KEGG:D01170|PPDB:1321|Wikipedia:Zinc_Oxide phenio.json Zinkoxid|ZnO|oxido de cinc|oxyde de zinc|zinc oxide http://purl.obolibrary.org/obo/CHEBI_36560 3_STAR
CHEBI:36561 biolink:ChemicalSubstance mercury coordination entity phenio.json mercury coordination compounds|mercury coordination entities http://purl.obolibrary.org/obo/CHEBI_36561 3_STAR
CHEBI:36562 biolink:ChemicalSubstance main-group coordination entity A coordination entity in which the central atom to which the ligands are attached comes from groups 1, 2, 13, 14, 15, 16, 17, or 18 of the periodic table. phenio.json main group coordination compounds|main-group coordination entities http://purl.obolibrary.org/obo/CHEBI_36562 3_STAR
CHEBI:36563 biolink:ChemicalSubstance zinc group coordination entity phenio.json zinc group coordination compounds|zinc group coordination entities http://purl.obolibrary.org/obo/CHEBI_36563 3_STAR
CHEBI:36564 biolink:ChemicalSubstance N-benzoyl-4-methoxyanthranilate A methoxybenzoate that it is obtained by removal of a proton from the carboxylic acid group of N-benzoyl-4-methoxyanthranilate. KEGG:C04208 phenio.json 2-(benzoylamino)-4-methoxybenzoate|2-benzamido-4-methoxybenzoate|N-benzoyl-4-methoxyanthranilate http://purl.obolibrary.org/obo/CHEBI_36564 3_STAR
CHEBI:36565 biolink:ChemicalSubstance cadmium coordination entity phenio.json cadmium coordination compounds|cadmium coordination entities http://purl.obolibrary.org/obo/CHEBI_36565 3_STAR
CHEBI:36566 biolink:ChemicalSubstance zinc coordination entity phenio.json zinc coordination compounds|zinc coordination entities http://purl.obolibrary.org/obo/CHEBI_36566 3_STAR
CHEBI:36571 biolink:ChemicalSubstance prenylglycerol phosphate phenio.json prenylglycerol phosphates http://purl.obolibrary.org/obo/CHEBI_36571 3_STAR
CHEBI:36572 biolink:ChemicalSubstance cyanide salt phenio.json cyanide salt|cyanide salts http://purl.obolibrary.org/obo/CHEBI_36572 3_STAR
CHEBI:36575 biolink:ChemicalSubstance N-formylanthranilic acid An amidobenzoic acid consisting of anthranilic acid carrying an N-formyl group. CAS:3342-77-6|KEGG:C05653|Reaxys:1102568 phenio.json 2-(Formylamino)-benzoic acid|2-(Formylamino)benzoic acid http://purl.obolibrary.org/obo/CHEBI_36575 3_STAR
CHEBI:36586 biolink:ChemicalSubstance carbonyl compound Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives. phenio.json carbonyl compounds http://purl.obolibrary.org/obo/CHEBI_36586 3_STAR
CHEBI:36587 biolink:ChemicalSubstance organic oxo compound Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element. phenio.json organic oxo compounds|oxo compounds http://purl.obolibrary.org/obo/CHEBI_36587 3_STAR
CHEBI:36606 biolink:ChemicalSubstance acid anhydride Compounds consisting of two acyl groups bonded to the same oxygen atom acyl-O-acyl. phenio.json acid anhydride|acid anhydrides|anhydride d'acide http://purl.obolibrary.org/obo/CHEBI_36606 3_STAR
CHEBI:36607 biolink:ChemicalSubstance cyclic acid anhydride Acid anhydrides derived by loss of water between two oxoacid functions RkE(=O)l(OH)m (l =/= 0) (carboxylic, sulfonic, etc.) in the same molecule so as to close a ring. phenio.json cyclic acid anhydrides|cyclic anhydrides http://purl.obolibrary.org/obo/CHEBI_36607 3_STAR
CHEBI:36608 biolink:ChemicalSubstance acyclic acid anhydride phenio.json acyclic acid anhydride|acyclic acid anhydrides|acyclic anhydrides http://purl.obolibrary.org/obo/CHEBI_36608 3_STAR
CHEBI:36609 biolink:ChemicalSubstance cyclic dicarboxylic anhydride An acid anhydride derived by loss of water between two carboxylic groups in the same molecule so as to close a ring. phenio.json cyclic carboxylic acid anhydrides|cyclic carboxylic anhydride|cyclic dicarboxylic anhydrides http://purl.obolibrary.org/obo/CHEBI_36609 3_STAR
CHEBI:36611 biolink:ChemicalSubstance fenchane A monoterpene that is bicyclo[2.2.1]heptane substituted by methy groups at positions 1, 3 and 3. CAS:6248-88-0|LIPID_MAPS_instance:LMPR0102120027|PMID:20734952 phenio.json 1,3,3-trimethylbicyclo[2.2.1]heptane|fenchane http://purl.obolibrary.org/obo/CHEBI_36611 3_STAR
CHEBI:36615 biolink:ChemicalSubstance triterpenoid Any terpenoid derived from a triterpene. The term includes compounds in which the C30 skeleton of the parent triterpene has been rearranged or modified by the removal of one or more skeletal atoms (generally methyl groups). KEGG:C06085 phenio.json Triterpenoid|triterpenoides|triterpenoids http://purl.obolibrary.org/obo/CHEBI_36615 3_STAR
CHEBI:36616 biolink:ChemicalSubstance quinoxaline A naphthyridine in which the nitrogens are at positions 1 and 4. CAS:91-19-0|Gmelin:82755|KEGG:C18575|PMID:16406213|PMID:24328679|PMID:24476762|PMID:27349448|Reaxys:109351|Wikipedia:Quinoxaline phenio.json 1,4-benzodiazine|1,4-diazanaphthalene|1,4-naphthyridine|Chinoxalin|benzo[a]pyrazine|benzoparadiazine|benzopyrazine|quinoxaline http://purl.obolibrary.org/obo/CHEBI_36616 3_STAR
CHEBI:36622 biolink:ChemicalSubstance benzimidazole A mancude organic heterobicyclic parent that is a heterocyclic organic compound comprising fused benzene and imidazole rings. Wikipedia:Benzimidazole phenio.json Benzimidazol|benzimidazole http://purl.obolibrary.org/obo/CHEBI_36622 3_STAR
CHEBI:36623 biolink:ChemicalSubstance 4H-benzimidazole phenio.json 4H-benzimidazole http://purl.obolibrary.org/obo/CHEBI_36623 3_STAR
CHEBI:36624 biolink:ChemicalSubstance naphthyridine Any one of eight organic heterobicyclic compounds that have a naphthalene skeleton in which two of the carbons are replaced by nitrogens. A 'closed' class. Wikipedia:Naphthyridine phenio.json naphthyridine http://purl.obolibrary.org/obo/CHEBI_36624 3_STAR
CHEBI:36628 biolink:ChemicalSubstance 1,8-naphthyridine A naphthyridine in which the nitrogens are situated at positions 1 and 8. CAS:254-60-4|Gmelin:27124|Reaxys:109347 phenio.json 1,8-diazanaphthalene|1,8-naphthyridine|1,8-pyridopyridine|napy http://purl.obolibrary.org/obo/CHEBI_36628 3_STAR
CHEBI:36635 biolink:ChemicalSubstance p-toluic acid A methylbenzoic acid in which the methyl substituent is located at position 4. CAS:99-94-5|HMDB:HMDB0029635|KEGG:C01454|PDBeChem:4MA|PMID:11876420|PMID:21978560|Reaxys:507600|Wikipedia:P-toluic_acid phenio.json 4-Methylbenzoic acid|4-Toluic acid|4-methylbenzoic acid|Crithminic acid|Toluenecarboxylic acid|p-Carboxytoluene|p-Methylbenzoic acid|p-Toluic acid|p-Toluylic acid|para-Toluic acid http://purl.obolibrary.org/obo/CHEBI_36635 3_STAR
CHEBI:36639 biolink:ChemicalSubstance 2H-benzimidazole phenio.json 2H-benzimidazole http://purl.obolibrary.org/obo/CHEBI_36639 3_STAR
CHEBI:36640 biolink:ChemicalSubstance glycoheptaosylceramide phenio.json http://purl.obolibrary.org/obo/CHEBI_36640 3_STAR
CHEBI:36641 biolink:ChemicalSubstance 3aH-benzimidazole phenio.json 3aH-benzimidazole http://purl.obolibrary.org/obo/CHEBI_36641 3_STAR
CHEBI:36647 biolink:ChemicalSubstance 2,3-dihydroxy-p-cumate KEGG:C06580|UM-BBD_compID:c0380 phenio.json 2,3-dihydroxy-4-(1-methylethyl)benzoate|2,3-dihydroxy-4-(propan-2-yl)benzoate|2,3-dihydroxy-4-isopropylbenzoate|2,3-dihydroxy-p-cumate|4-isopropyl-o-pyrocatechuate http://purl.obolibrary.org/obo/CHEBI_36647 3_STAR
CHEBI:36654 biolink:ChemicalSubstance 2,3-dihydroxybenzoate Beilstein:3666805|KEGG:C00196|UM-BBD_compID:c0056 phenio.json 2,3-Dihydroxybenzoate|2,3-dihydroxybenzoate|2-pyrocatechuate|3-hydroxysalicylate|catechol-3-carboxylate http://purl.obolibrary.org/obo/CHEBI_36654 3_STAR
CHEBI:36655 biolink:ChemicalSubstance glyoxylate The conjugate base of glyoxylic acid. Beilstein:3903641|Gmelin:323497|MetaCyc:GLYOX phenio.json Glyoxylat|glyoxylate|oxoacetate http://purl.obolibrary.org/obo/CHEBI_36655 3_STAR
CHEBI:36656 biolink:ChemicalSubstance phenylglyoxylate A member of the class of glyoxylates, that is obtained by removal of a proton from the carboxylic acid group of phenylglyoxylic acid. Gmelin:328162|MetaCyc:PHENYLGLYOXYLATE|Reaxys:3904908 phenio.json benzoylformic acid anion|oxo(phenyl)acetate|phenylglyoxylate|phenylglyoxylic acid anion http://purl.obolibrary.org/obo/CHEBI_36656 3_STAR
CHEBI:36658 biolink:ChemicalSubstance 6-methylsalicylate A hydroxybenzoate that is obtained by removal of a proton from the carboxylic acid group of 6-methylsalicylic acid. KEGG:C02657|MetaCyc:CPD-637|Reaxys:10342326 phenio.json 2,6-cresotate|2-hydroxy-6-methylbenzoate|6-Methyl 2-hydroxybenzenecarboxylate|6-Methylsalicylate|6-hydroxy-o-toluate|6-methylsalicylate http://purl.obolibrary.org/obo/CHEBI_36658 3_STAR
CHEBI:36659 biolink:ChemicalSubstance 3-(4-hydroxyphenyl)lactate A 2-hydroxy carboxylate that is obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)lactic acid. KEGG:C03672|MetaCyc:4-HYDROXYPHENYLLACTATE phenio.json 2-Hydroxy-3-(4-hydroxyphenyl)propanoate|2-hydroxy-3-(4-hydroxyphenyl)propanoate|3-(4-Hydroxyphenyl)lactate|4-Hydroxyphenyllactate|p-Hydroxyphenyllactate http://purl.obolibrary.org/obo/CHEBI_36659 3_STAR
CHEBI:36664 biolink:ChemicalSubstance stilben-4-ol A phenol having the structure of stilbene with a hydroxy function at C-4 of one of the phenyl rings; the stereochemistry across the alkene bond is not specified. Beilstein:2208345|CAS:3839-46-1|Gmelin:1405160 phenio.json 4-(2-phenylethenyl)phenol|4-(2-phenylvinyl)phenol|4-hydroxystilbene|stilben-4-ol http://purl.obolibrary.org/obo/CHEBI_36664 3_STAR
CHEBI:36668 biolink:ChemicalSubstance aluminium coordination entity phenio.json aluminium coordination compounds|aluminium coordination entities|aluminium coordination entity|aluminum coordination compounds http://purl.obolibrary.org/obo/CHEBI_36668 3_STAR
CHEBI:36674 biolink:ChemicalSubstance phenazine An azaarene that is anthracene in which the carbon atoms at positions 9 and 10 are replaced by nitrogen atoms. CAS:92-82-0|Gmelin:201469|MetaCyc:CPD-12873|PMID:24482022|Reaxys:126500|Wikipedia:Phenazine phenio.json 9,10-diazaanthracene|acridizine|azophenylene|dibenzo-p-diazine|dibenzoparadiazine|dibenzopyrazine|phenazine http://purl.obolibrary.org/obo/CHEBI_36674 3_STAR
CHEBI:36680 biolink:ChemicalSubstance heteranthrene Heterotricyclic compounds containing two benzene rings fused to a 1,4-diheterabenzene in which the heteroatoms are the same. phenio.json heteranthrene|heteranthrenes http://purl.obolibrary.org/obo/CHEBI_36680 3_STAR
CHEBI:36682 biolink:ChemicalSubstance polychlorinated dibenzodioxine Any dibenzodioxine in which two or more hydrogens have been replaced by chlorines. Wikipedia:Polychlorinated_dibenzodioxins phenio.json PCDD|PCDDs|dioxin|dioxins|polychlorinated dibenzodioxines|polychlorinated dibenzodioxins http://purl.obolibrary.org/obo/CHEBI_36682 3_STAR
CHEBI:36683 biolink:ChemicalSubstance organochlorine compound An organochlorine compound is a compound containing at least one carbon-chlorine bond. MetaCyc:Chlorides|Wikipedia:Organochloride phenio.json an organochlorine molecule|chloroorganic compounds|chlororganische Verbindungen|organochloride|organochloride compound|organochloride compounds|organochlorides|organochlorine compound|organochlorine compounds http://purl.obolibrary.org/obo/CHEBI_36683 3_STAR
CHEBI:36685 biolink:ChemicalSubstance chlorocarboxylic acid A carboxylic acid containing at least one chloro group. phenio.json chlorocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_36685 3_STAR
CHEBI:36686 biolink:ChemicalSubstance chloroarene A compound derived from an arene by replacing a hydrogen atom with a chlorine atom. phenio.json aryl chloride|aryl chlorides|chloroarenes http://purl.obolibrary.org/obo/CHEBI_36686 3_STAR
CHEBI:36687 biolink:ChemicalSubstance acyl chloride A compound consisting of an acyl group bonded to chlorine. phenio.json acid chloride|acyl chlorides http://purl.obolibrary.org/obo/CHEBI_36687 3_STAR
CHEBI:36688 biolink:ChemicalSubstance heterotricyclic compound phenio.json heterotricyclic compound|heterotricyclic compounds http://purl.obolibrary.org/obo/CHEBI_36688 3_STAR
CHEBI:36690 biolink:ChemicalSubstance imidazo[2,1-i]purine phenio.json imidazo[2,1-i]purine http://purl.obolibrary.org/obo/CHEBI_36690 3_STAR
CHEBI:36699 biolink:ChemicalSubstance corticosteroid hormone Any of a class of steroid hormones that are produced in the adrenal cortex. phenio.json adrenal cortex hormones|corticosteroid hormones http://purl.obolibrary.org/obo/CHEBI_36699 3_STAR
CHEBI:36700 biolink:ChemicalSubstance phosphocholines Any compound having phosphocholine as part of its structure. phenio.json O-phosphocholines|choline phosphates|phosphorylcholines http://purl.obolibrary.org/obo/CHEBI_36700 3_STAR
CHEBI:36702 biolink:ChemicalSubstance 2-acyl-1-alkyl-sn-glycero-3-phosphocholine An alkyl,acyl-sn-glycero-3-phosphocholine in which unspecified alkyl and acyl groups are located at positions 1 and 2 respectively. KEGG:C05212 phenio.json 1-Organyl-2-acyl-sn-glycero-3-phosphocholine|1-Radyl-2-acyl-sn-glycero-3-phosphocholine|2-acyl-1-alkyl-sn-glycero-3-phosphocholine betaines|2-acyl-1-alkyl-sn-glycero-3-phosphocholines|a 1-O-alkyl-2-acyl-sn-glycero-3-phosphocholine http://purl.obolibrary.org/obo/CHEBI_36702 3_STAR
CHEBI:36703 biolink:ChemicalSubstance tetrachloro-1,4-benzoquinone A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines. Beilstein:393006|CAS:118-75-2|Gmelin:50924|KEGG:C18933|PMID:11864786|PMID:19408893|PMID:20797618|PPDB:1297 phenio.json 2,3,5,6-Tetrachlor-1,4-benzochinon|2,3,5,6-Tetrachloro-1,4-benzoquinone|2,3,5,6-tetrachloro-1,4-benzoquinone|2,3,5,6-tetrachloro-2,5-cyclohexadiene-1,4-dione|2,3,5,6-tetrachloro-p-benzoquinone|2,3,5,6-tetrachlorobenzo-1,4-quinone|2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione|alpha-chloranil|chloranil|p-Chloranil|tetrachloro-1,4-benzoquinone|tetrachloro-p-benzoquinone|tetrachlorobenzoquinone|tetrachloroparabenzoquinone http://purl.obolibrary.org/obo/CHEBI_36703 3_STAR
CHEBI:36704 biolink:ChemicalSubstance imiquimod An imidazoquinoline fused [4,5-c] carrying isobutyl and amino substituents at N-1 and C-4 respectively. A prescription medication, it acts as an immune response modifier and is used to treat genital warts, superficial basal cell carcinoma, and actinic keratosis. CAS:99011-02-6|DrugBank:DB00724|Drug_Central:1429|LINCS:LSM-5408|PMID:10861101|PMID:15868314|PMID:16217984|PMID:18424373|PMID:27548435|PMID:28872561|PMID:29422777|PMID:29485187|PMID:29505317|PMID:29596875|Patent:AU2005320890|Patent:EP1831219|Patent:KR20070102652|Reaxys:7710060|Wikipedia:Imiquimod phenio.json 1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-amine|1-isobutyl-1H-imidazo[4,5-c]quinolin-4-amine|4-Amino-1-isobutyl-1H-imidazo(4,5-c)quinoline|Imiquimod|R 837|imiquimod|imiquimodum http://purl.obolibrary.org/obo/CHEBI_36704 3_STAR
CHEBI:36706 biolink:ChemicalSubstance resiquimod Beilstein:9792901|CAS:144875-48-9 phenio.json 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol|R 848|R-848|Resiquimod http://purl.obolibrary.org/obo/CHEBI_36706 3_STAR
CHEBI:36707 biolink:ChemicalSubstance 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine where the 2-O-acyl group is specified as acetyl; a potent phospholipid activator and mediator of many leukocyte functions, including platelet aggregation, inflammation, and anaphylaxis. KEGG:C04598|PMID:7639802 phenio.json 1-Alkyl-2-acetyl-sn-glycero-3-phosphocholine|1-alkyl-2-acetyl-sn-glycero-3-phosphocholines|2-acetyl-1-alkyl-sn-glycero-3-phosphocholine zwitterion|a 1-O-alkyl-2-acetyl-sn-glycero-3-phosphocholine|platelet-activating factor http://purl.obolibrary.org/obo/CHEBI_36707 3_STAR
CHEBI:36709 biolink:ChemicalSubstance aminoquinoline Any member of the class of quinolines in which the quinoline skeleton is substituted by one or more amino or substituted-amino groups. phenio.json aminoquinoline|aminoquinolines http://purl.obolibrary.org/obo/CHEBI_36709 3_STAR
CHEBI:36710 biolink:ChemicalSubstance interferon inducer An agent that promotes the production and release of interferons. phenio.json interferon inducers http://purl.obolibrary.org/obo/CHEBI_36710 3_STAR
CHEBI:36711 biolink:ChemicalSubstance phosphoethanolamine phenio.json phosphoethanolamines http://purl.obolibrary.org/obo/CHEBI_36711 3_STAR
CHEBI:36712 biolink:ChemicalSubstance 1-alkyl-2-acyl-sn-glycero-3-phosphoethanolamine An alkyl,acyl-sn-glycero-3-phosphoethanolamine in which unspecified alkyl and acyl groups are located at positions 1 and 2 respectively. KEGG:C04475 phenio.json 1-Alkyl-2-acylglycerophosphoethanolamine|1-Organyl-2-acyl-sn-glycero-3-phosphoethanolamine|1-Radyl-2-acyl-sn-glycero-3-phosphoethanolamine http://purl.obolibrary.org/obo/CHEBI_36712 3_STAR
CHEBI:36717 biolink:ChemicalSubstance monochlorobiphenyl A chlorobiphenyl carrying a single chloro substituent at unspecified position. CAS:27323-18-8 phenio.json chloro-1,1'-biphenyl|chlorobiphenyl|chlorodiphenyl|diphenylchloride|monochlorobiphenyl http://purl.obolibrary.org/obo/CHEBI_36717 3_STAR
CHEBI:36720 biolink:ChemicalSubstance tetrachlorobiphenyl Any polychlorobiphenyl with molecular formula C12H6Cl4. phenio.json tetrachloro-1,1'-biphenyl http://purl.obolibrary.org/obo/CHEBI_36720 3_STAR
CHEBI:36721 biolink:ChemicalSubstance pentachlorobiphenyl Any polychlorobiphenyl with molecular formula C12H5Cl5. phenio.json pentachloro-1,1'-biphenyl|pentachlorobiphenyls http://purl.obolibrary.org/obo/CHEBI_36721 3_STAR
CHEBI:36722 biolink:ChemicalSubstance hexachlorobiphenyl Any polychlorobiphenyl with molecular formula C12H4Cl6. phenio.json hexachloro-1,1'-biphenyl|hexachlorobiphenyls http://purl.obolibrary.org/obo/CHEBI_36722 3_STAR
CHEBI:36723 biolink:ChemicalSubstance (20R)-17,20-dihydroxypregn-4-en-3-one Beilstein:3214897|Beilstein:5757713|CAS:1662-06-2 phenio.json (20R)-17,20-dihydroxypregn-4-en-3-one|17-DHP|17alpha,20beta-dihydroxypregn-4-en-3-one|17alpha-hydroxy-20beta-dihydroprogesterone http://purl.obolibrary.org/obo/CHEBI_36723 3_STAR
CHEBI:36726 biolink:ChemicalSubstance 17,20-dihydroxypregn-4-en-3-one A C21-steroid that is pregnane which contains a double bond between positions 4 and 5 and is substituted by an oxo group at position 3 and by hydroxy groups at the 17alpha and 20 positions. Reaxys:5083960 phenio.json 17,20-dihydroxypregn-4-en-3-one|17alpha,20-dihydroxypregn-4-en-3-one http://purl.obolibrary.org/obo/CHEBI_36726 3_STAR
CHEBI:36727 biolink:ChemicalSubstance 1-alkyl-2,3-diacylglycerol Any alkyldiacylglyceride in which the alkyl group is located at position 1 and the acyl groups at positions 2 and 3. phenio.json 1-O-alkyl-2,3-diacylglycerol|1-alkyl-2,3-diacylglycerols http://purl.obolibrary.org/obo/CHEBI_36727 3_STAR
CHEBI:36728 biolink:ChemicalSubstance 20-hydroxypregn-4-en-3-one A C21-steroid that is pregnane which contains a double bond between positions 4 and 5 and is substituted by an oxo group at position 3 and a hydroxy group at position 20. CAS:15114-79-1|LIPID_MAPS_instance:LMST02030152|PMID:1118862|PMID:3595093|PMID:4263519|PMID:4660838|PMID:4795411|PMID:5023310|PMID:5041786|PMID:5168235|PMID:5690083|PMID:6086154|PMID:6303639|PMID:6647431|Reaxys:2335964 phenio.json 20-dihydroprogesterone|20-hydroxy-4-pregnen-3-one|20-hydroxypregn-4-en-3-one http://purl.obolibrary.org/obo/CHEBI_36728 3_STAR
CHEBI:36730 biolink:ChemicalSubstance hydroxypregnenolone A C21-steroid that is pregnenolone in which a hydrogen attached to a carbon is substituted by a hydroxy group. phenio.json http://purl.obolibrary.org/obo/CHEBI_36730 3_STAR
CHEBI:36732 biolink:ChemicalSubstance bilene-b phenio.json 5,15,22,24-tetrahydro-21H-biline|b-bilene|bilene-b http://purl.obolibrary.org/obo/CHEBI_36732 3_STAR
CHEBI:36733 biolink:ChemicalSubstance biladiene-ab phenio.json 5,23-dihydro-21H-biline|a,b-biladiene|biladiene-ab http://purl.obolibrary.org/obo/CHEBI_36733 3_STAR
CHEBI:36735 biolink:ChemicalSubstance biladienes Compounds based on a biladiene skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_36735 3_STAR
CHEBI:36736 biolink:ChemicalSubstance bilenes phenio.json http://purl.obolibrary.org/obo/CHEBI_36736 1_STAR
CHEBI:36737 biolink:ChemicalSubstance bilene phenio.json bilene http://purl.obolibrary.org/obo/CHEBI_36737 3_STAR
CHEBI:36738 biolink:ChemicalSubstance biladiene phenio.json biladiene http://purl.obolibrary.org/obo/CHEBI_36738 3_STAR
CHEBI:36739 biolink:ChemicalSubstance fenchane monoterpenoid phenio.json fenchane monoterpenoids http://purl.obolibrary.org/obo/CHEBI_36739 3_STAR
CHEBI:36740 biolink:ChemicalSubstance alpha-pinene A pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively. BPDB:2017|CAS:2437-95-8|CAS:80-56-8|KEGG:C09880|KNApSAcK:C00000805|LIPID_MAPS_instance:LMPR0102120017|MetaCyc:Alpha-pinene|PMID:11868675|PMID:23513743|Reaxys:3194807|UM-BBD_compID:c0634|Wikipedia:Alpha-Pinene phenio.json (+-)-2-pinene|(+-)-alpha-pinene|2,6,6-trimethylbicyclo[3.1.1]hept-2-ene|2-pinene|acintene A|alpha-Pinene|alpha-pinene|pin-2(3)-ene|pin-2-ene http://purl.obolibrary.org/obo/CHEBI_36740 3_STAR
CHEBI:36741 biolink:ChemicalSubstance phycoerythrobilin phenio.json http://purl.obolibrary.org/obo/CHEBI_36741 1_STAR
CHEBI:36742 biolink:ChemicalSubstance p-menthan-3-one A p-menthane monoterpenoid that is p-menthane substituted by an oxo group at position 3. Beilstein:774527|CAS:10458-14-7|Gmelin:637156|PMID:24206217|Reaxys:774527 phenio.json 2-isopropyl-5-methylcyclohexanone|5-methyl-2-(1-methylethyl)cyclohexanone|5-methyl-2-(isopropyl)cyclohexanone|5-methyl-2-(propan-2-yl)cyclohexanone|p-menthan-3-one http://purl.obolibrary.org/obo/CHEBI_36742 3_STAR
CHEBI:36743 biolink:ChemicalSubstance germacrene phenio.json Germacren http://purl.obolibrary.org/obo/CHEBI_36743 3_STAR
CHEBI:36744 biolink:ChemicalSubstance guaiane sesquiterpenoid phenio.json guaiane sesquiterpenoids http://purl.obolibrary.org/obo/CHEBI_36744 3_STAR
CHEBI:36745 biolink:ChemicalSubstance cedrane sesquiterpenoid phenio.json cedrane sesquiterpenoids http://purl.obolibrary.org/obo/CHEBI_36745 3_STAR
CHEBI:36746 biolink:ChemicalSubstance himachalane sesquiterpenoid phenio.json himachalane sesquiterpenoids http://purl.obolibrary.org/obo/CHEBI_36746 3_STAR
CHEBI:36749 biolink:ChemicalSubstance dipyrrins Compounds containing two pyrrole rings linked through a methine group (-CH=). phenio.json dipyrrins http://purl.obolibrary.org/obo/CHEBI_36749 3_STAR
CHEBI:36750 biolink:ChemicalSubstance (R)-1-pyrroline-5-carboxylic acid A 1-pyrroline-5-carboxylic acid in which the chiral centre has R configuration. Reaxys:8760341 phenio.json (2R)-3,4-dihydro-2H-pyrrole-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_36750 3_STAR
CHEBI:36751 biolink:ChemicalSubstance pyrrole-2-carboxylic acid A pyrrolecarboxylic acid that is 1H-pyrrole carrying a carboxy substituent at position 2. Beilstein:80825|CAS:634-97-9|DrugBank:DB02543|Gmelin:101562|KEGG:C05942|PDBeChem:PYC|PMID:21634415 phenio.json 1H-pyrrole-2-carboxylic acid|2-pyrrolecarboxylic acid|Minaline|PCA|Pyrrole-2-carboxylate|pyrrole-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_36751 3_STAR
CHEBI:36753 biolink:ChemicalSubstance eremophilane sesquiterpenoid Any sesquiterpenoid whose structure is related to eremophilane. PMID:25138093|PMID:28822220|PMID:29340423 phenio.json eremophilane sesquiterpenoids http://purl.obolibrary.org/obo/CHEBI_36753 3_STAR
CHEBI:36754 biolink:ChemicalSubstance vetispirane Beilstein:2426840 phenio.json 6,10-dimethyl-2-(propan-2-yl)spiro[4.5]decane|agarospiran http://purl.obolibrary.org/obo/CHEBI_36754 3_STAR
CHEBI:36756 biolink:ChemicalSubstance farnesane A sesquiterpene that is dodecane substituted by methyl groups at positions 2, 6 and 10. CAS:3891-98-3|LIPID_MAPS_instance:LMPR0103010000|MetaCyc:CPD-8764|Patent:US2008098645|Patent:US7399323|Reaxys:1719672 phenio.json 2,6,10-trimethyldodecane|Farnesan|farnesane http://purl.obolibrary.org/obo/CHEBI_36756 3_STAR
CHEBI:36757 biolink:ChemicalSubstance farnesane sesquiterpenoid phenio.json farnesane sesquiterpenoid|farnesane sesquiterpenoids http://purl.obolibrary.org/obo/CHEBI_36757 3_STAR
CHEBI:36758 biolink:ChemicalSubstance apo carotenoid sesquiterpenoid phenio.json apo carotenoid sesquiterpenoids|apocarotenoid sesquiterpenoid|apocarotenoid sesquiterpenoids http://purl.obolibrary.org/obo/CHEBI_36758 3_STAR
CHEBI:36760 biolink:ChemicalSubstance ent-kaurane diterpenoid A diterpenoid compound having an ent-kaurane skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_36760 3_STAR
CHEBI:36761 biolink:ChemicalSubstance 1-pyrroline-2-carboxylic acid The product resulting from formal oxidation of DL-proline by loss of hydrogen from the nitrogen and from the carbon alpha to the carboxylic acid, with the formation of a C=N bond. Beilstein:108538|CAS:2139-03-9|KEGG:C03564|PDBeChem:2PC phenio.json 1-Pyrroline-2-carboxylate|1-Pyrroline-2-carboxylic acid|3,4-dihydro-2H-pyrrole-5-carboxylic acid|delta1-Pyrroline 2-carboxylate http://purl.obolibrary.org/obo/CHEBI_36761 3_STAR
CHEBI:36762 biolink:ChemicalSubstance abietane diterpenoid A diterpenoid based on an abietane skeleton. phenio.json abietane diterpenoids http://purl.obolibrary.org/obo/CHEBI_36762 3_STAR
CHEBI:36765 biolink:ChemicalSubstance gibberellane phenio.json http://purl.obolibrary.org/obo/CHEBI_36765 1_STAR
CHEBI:36766 biolink:ChemicalSubstance ent-gibberellane phenio.json http://purl.obolibrary.org/obo/CHEBI_36766 1_STAR
CHEBI:36768 biolink:ChemicalSubstance casbane phenio.json http://purl.obolibrary.org/obo/CHEBI_36768 1_STAR
CHEBI:36770 biolink:ChemicalSubstance labdane diterpenoid Any diterpenoid with a labdane skeleton. phenio.json labdane diterpenoids|labdanes http://purl.obolibrary.org/obo/CHEBI_36770 3_STAR
CHEBI:36772 biolink:ChemicalSubstance diterpenyl phosphate phenio.json diterpenyl phosphates http://purl.obolibrary.org/obo/CHEBI_36772 3_STAR
CHEBI:36773 biolink:ChemicalSubstance camphor A cyclic monoterpene ketone that is bornane bearing an oxo substituent at position 2. A naturally occurring monoterpenoid. Beilstein:1907611|Beilstein:6475830|CAS:464-48-2|CAS:76-22-2|DrugBank:DB01744|Drug_Central:470|Gmelin:83275|KEGG:C00809|KEGG:C18369|KEGG:D00098|KNApSAcK:C00000135|LIPID_MAPS_instance:LMPR0102120001|MetaCyc:Camphor|PMID:17488023|PMID:19384733|PMID:20950270|PMID:21562741|PMID:21620923|PMID:21777420|PMID:21906366|Reaxys:3196099|Wikipedia:Camphor phenio.json 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one|2-bornanone|2-camphanone|2-keto-1,7,7-trimethylnorcamphane|Camphor|Formosa camphor|Japan camphor|Kampfer|bornan-2-one|camphor|gum camphor|laurel camphor|root bark oil|spirit of camphor http://purl.obolibrary.org/obo/CHEBI_36773 3_STAR
CHEBI:36775 biolink:ChemicalSubstance bornane-2,5-dione Beilstein:1939221|CAS:4230-32-4|KEGG:C03037|LIPID_MAPS_instance:LMPR0102120008|UM-BBD_compID:c0409 phenio.json 1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-dione|2,5-Diketocamphane|2,5-diketocamphane|2,5-dioxocamphane|bornane-2,5-dione http://purl.obolibrary.org/obo/CHEBI_36775 3_STAR
CHEBI:36776 biolink:ChemicalSubstance (1S)-bornane-2,5-dione Beilstein:2613412 phenio.json (1S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-dione|(1S,4S)-bornane-2,5-dione http://purl.obolibrary.org/obo/CHEBI_36776 3_STAR
CHEBI:36780 biolink:ChemicalSubstance triterpenyl phosphate phenio.json triterpenyl phosphates http://purl.obolibrary.org/obo/CHEBI_36780 3_STAR
CHEBI:36781 biolink:ChemicalSubstance 1-pyrrolinium phenio.json 1-pyrroline|3,4-dihydro-2H-pyrrolium http://purl.obolibrary.org/obo/CHEBI_36781 3_STAR
CHEBI:36783 biolink:ChemicalSubstance apo carotenoid triterpenoid A triterpenoid compound arising from loss of part of the carotene skeleton. phenio.json apocarotenoid triterpenoid|apocarotenoid triterpenoids http://purl.obolibrary.org/obo/CHEBI_36783 3_STAR
CHEBI:36785 biolink:ChemicalSubstance carbobicyclic compound A bicyclic compound in which all the ring atoms are carbon. phenio.json carbobicyclic compounds http://purl.obolibrary.org/obo/CHEBI_36785 3_STAR
CHEBI:36786 biolink:ChemicalSubstance tetralins Compounds containing a tetralin skeleton. phenio.json 1,2,3,4-tetrahydronaphthalenes http://purl.obolibrary.org/obo/CHEBI_36786 3_STAR
CHEBI:36791 biolink:ChemicalSubstance escitalopram A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram. Beilstein:9001444|CAS:128196-01-0|DrugBank:DB01175|Drug_Central:1053|HMDB:HMDB0005028|KEGG:D07913|LINCS:LSM-3569|PMID:14501259|PMID:14594439|PMID:14708881|PMID:15200745|PMID:15609164|PMID:16266205|PMID:16421462|PMID:16937393|PMID:16953656|PMID:18789789|PMID:19710642|PMID:20825390|PMID:24172161|PMID:24176515|PMID:24289655|PMID:24424469|PMID:24469525|PMID:24528284|PMID:34406668|Wikipedia:Escitalopram phenio.json (+)-citalopram|(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile|(S)-citalopram|Esertia|S(+)-citalopram|S-(+)-citalopram|escitalopram|escitalopramum http://purl.obolibrary.org/obo/CHEBI_36791 3_STAR
CHEBI:36792 biolink:ChemicalSubstance (R)-citalopram A 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has R-configuration at the chiral centre. It is the inactive enantiomer of citalopram. PMID:14501259|Reaxys:9001443 phenio.json (-)-citalopram|(1R)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile|(R)-(-)-citalopram http://purl.obolibrary.org/obo/CHEBI_36792 3_STAR
CHEBI:36796 biolink:ChemicalSubstance duloxetine Beilstein:8842375|CAS:116539-58-3|PMID:20825390 phenio.json N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine|N-methyl-3-(naphthalen-1-yloxy)-3-(2-thienyl)propan-1-amine http://purl.obolibrary.org/obo/CHEBI_36796 3_STAR
CHEBI:36798 biolink:ChemicalSubstance dothiepin Beilstein:1348850|CAS:113-53-1|Gmelin:2031643|LINCS:LSM-3221 phenio.json 3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethyl-1-propanamine|3-dibenzo[b,e]thiepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine|N,N-dimethyldibenzo[b,e]thiepin-Delta(11(6H),gamma)-propylamine|dosulepin|dothiepin http://purl.obolibrary.org/obo/CHEBI_36798 3_STAR
CHEBI:3680 biolink:ChemicalSubstance chrysanthemic acid A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. Beilstein:2043418|CAS:10453-89-1|KEGG:C09842|LINCS:LSM-21601|PMID:13083|PMID:16328989|PMID:17226179|PMID:24253739|Patent:CN101830795|Patent:US2010210721 phenio.json 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylic acid|Chrysanthemic acid|Chrysanthemumsaeure|chrysanthemummonocarboxylic acid http://purl.obolibrary.org/obo/CHEBI_3680 3_STAR
CHEBI:36807 biolink:ChemicalSubstance hydrochloride A salt formally resulting from the reaction of hydrochloric acid with an organic base. phenio.json Hydrochlorid|hydrochloride salts|hydrochlorides http://purl.obolibrary.org/obo/CHEBI_36807 3_STAR
CHEBI:36810 biolink:ChemicalSubstance (trifluoromethyl)benzene A fluorohydrocarbon that is fluoroform in which the hydrogen is substituted by a phenyl group. CAS:98-08-8|Gmelin:3670|PMID:11671431|PMID:20958547|PMID:24267073|PMID:24669762|Reaxys:1906908 phenio.json (trifluoromethyl)benzene|C6H5CF3|CF3Ph|PhCF3|alpha,alpha,alpha-trifluorotoluene|benzotrifluoride|omega-trifluorotoluene|phenylfluoroform|trifluoromethylbenzene http://purl.obolibrary.org/obo/CHEBI_36810 3_STAR
CHEBI:36812 biolink:ChemicalSubstance valerophenone An aromatic ketone that consists of benzene substituted by a pentanoyl group. CAS:1009-14-9|HMDB:HMDB0031208|PMID:22822671|Reaxys:1907717|Wikipedia:Valerophenone phenio.json 1-phenyl-1-pentanone|1-phenylpentan-1-one|butyl phenyl ketone|pentanophenone|valerophenone http://purl.obolibrary.org/obo/CHEBI_36812 3_STAR
CHEBI:36814 biolink:ChemicalSubstance 5-methoxyvalerophenone Beilstein:2046709 phenio.json 5-methoxy-1-phenylpentan-1-one http://purl.obolibrary.org/obo/CHEBI_36814 3_STAR
CHEBI:36815 biolink:ChemicalSubstance 5-methoxyvalerophenone O-(2-aminoethyl)oxime phenio.json http://purl.obolibrary.org/obo/CHEBI_36815 1_STAR
CHEBI:36816 biolink:ChemicalSubstance oxime O-ether O-organyl oximes R2C=NOR' (R' =/= H). phenio.json O-substituted oximes|oxime O-ether|oxime O-ethers|oxime ether|oxime ethers http://purl.obolibrary.org/obo/CHEBI_36816 3_STAR
CHEBI:36818 biolink:ChemicalSubstance seco-cholestane phenio.json seco-cholestanes http://purl.obolibrary.org/obo/CHEBI_36818 3_STAR
CHEBI:36819 biolink:ChemicalSubstance seco-ergostane phenio.json seco-ergostanes http://purl.obolibrary.org/obo/CHEBI_36819 3_STAR
CHEBI:3682 biolink:ChemicalSubstance chrysazin A dihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1 and 8. CAS:117-10-2|DrugBank:DB04816|Drug_Central:3125|Gmelin:29905|HMDB:HMDB0029752|KEGG:C10312|KEGG:D07107|KNApSAcK:C00002804|LINCS:LSM-2208|PDBeChem:CHZ|PMID:19784869|PMID:20369292|PMID:21576413|PMID:22592642|PMID:23770982|PMID:24434150|Reaxys:2054727 phenio.json 1,8-Dihydroxyanthrachinon|1,8-Dihydroxyanthraquinone|1,8-dihydroxy-9,10-anthracenedione|1,8-dihydroxy-9,10-anthraquinone|1,8-dihydroxyanthra-9,10-quinone|1,8-dihydroxyanthracene-9,10-dione|Chrysazin|Danthron|Dioxyanthrachinonum|dantron|dantrona|dantrone|dantronum http://purl.obolibrary.org/obo/CHEBI_3682 3_STAR
CHEBI:36820 biolink:ChemicalSubstance ring assembly Two or more cyclic systems (single rings or fused systems) which are directly joined to each other by double or single bonds are named ring assemblies when the number of such direct ring junctions is one less than the number of cyclic systems involved. phenio.json ring assemblies|ring assembly http://purl.obolibrary.org/obo/CHEBI_36820 3_STAR
CHEBI:36823 biolink:ChemicalSubstance pseudohalo group phenio.json halogenoid group|pseudohalide group|pseudohalido group|pseudohalo groups|pseudohalogen group http://purl.obolibrary.org/obo/CHEBI_36823 3_STAR
CHEBI:36828 biolink:ChemicalSubstance pseudohalide anion phenio.json pseudohalide anions|pseudohalide ions|pseudohalides|pseudohalogen anion|pseudohalogen ion http://purl.obolibrary.org/obo/CHEBI_36828 3_STAR
CHEBI:36829 biolink:ChemicalSubstance polyatomic monoanion phenio.json polyatomic monoanions http://purl.obolibrary.org/obo/CHEBI_36829 3_STAR
CHEBI:36830 biolink:ChemicalSubstance monoanion phenio.json monoanions http://purl.obolibrary.org/obo/CHEBI_36830 3_STAR
CHEBI:36831 biolink:ChemicalSubstance cyanate salt phenio.json Cyanatsalz|Cyanatsalze|cyanate salt|cyanate salts http://purl.obolibrary.org/obo/CHEBI_36831 3_STAR
CHEBI:36834 biolink:ChemicalSubstance 3-hydroxy steroid Any hydroxy steroid carrying a hydroxy group at position 3. phenio.json 3-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36834 3_STAR
CHEBI:36835 biolink:ChemicalSubstance 3alpha-hydroxy steroid A 3-hydroxy steroid in which the 3-hydroxy substituent is in the alpha-position. MetaCyc:3-alpha-Hydroxysteroids|PMID:11514561 phenio.json 3alpha-hydroxy steroids|3alpha-hydroxysteroid|3alpha-hydroxysteroids|a 3alpha-hydroxysteroid http://purl.obolibrary.org/obo/CHEBI_36835 3_STAR
CHEBI:36836 biolink:ChemicalSubstance 3beta-hydroxy steroid A 3-hydroxy steroid in which the 3-hydroxy substituent is in the beta-position. KEGG:C02945|MetaCyc:3-Beta-Hydroxysterols|PMID:10535978|PMID:12829805 phenio.json 3beta-hydroxy steroids|a 3beta-hydroxysteroid http://purl.obolibrary.org/obo/CHEBI_36836 3_STAR
CHEBI:36838 biolink:ChemicalSubstance 17-hydroxy steroid A hydroxy steroid carrying a hydroxy group at position 17. phenio.json 17-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36838 3_STAR
CHEBI:3684 biolink:ChemicalSubstance chrysin 5,7-dimethyl ether A dimethoxyflavone that is the 5,7-dimethyl ether derivative of chrysin. CAS:21392-57-4|HMDB:HMDB0036620|KEGG:C10029|KNApSAcK:C00001028|LIPID_MAPS_instance:LMPK12110188|Reaxys:285983 phenio.json 5,7-Dimethoxyflavone|5,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one|chrysin dimethyl ether http://purl.obolibrary.org/obo/CHEBI_3684 3_STAR
CHEBI:36840 biolink:ChemicalSubstance 16-hydroxy steroid Any hydroxy steroid carrying a hydroxy group at position 16. phenio.json 16-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36840 3_STAR
CHEBI:36841 biolink:ChemicalSubstance 11-hydroxy steroid phenio.json 11-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36841 3_STAR
CHEBI:36842 biolink:ChemicalSubstance 19-hydroxy steroid phenio.json 19-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36842 3_STAR
CHEBI:36843 biolink:ChemicalSubstance 7alpha-hydroxy steroid A 7-hydroxy steroid in which the hydroxy group at position 7 has an alpha-configuration. phenio.json 7alpha-hydroxy steroid|7alpha-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36843 3_STAR
CHEBI:36844 biolink:ChemicalSubstance 7-hydroxy steroid A hydroxy steroid carrying a hydroxy substituent at position 7. phenio.json 7-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36844 3_STAR
CHEBI:36845 biolink:ChemicalSubstance 12-hydroxy steroid phenio.json 12-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36845 3_STAR
CHEBI:36846 biolink:ChemicalSubstance 12alpha-hydroxy steroid phenio.json 12alpha-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36846 3_STAR
CHEBI:36847 biolink:ChemicalSubstance 12beta-hydroxy steroid phenio.json 12beta-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36847 3_STAR
CHEBI:36848 biolink:ChemicalSubstance 5-hydroxy steroid phenio.json 5-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36848 3_STAR
CHEBI:36849 biolink:ChemicalSubstance 6-hydroxy steroid phenio.json 6-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36849 3_STAR
CHEBI:36850 biolink:ChemicalSubstance 6alpha-hydroxy steroid phenio.json 6alpha-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36850 3_STAR
CHEBI:36851 biolink:ChemicalSubstance 6beta-hydroxy steroid Any 6-hydroxy steroid in which the 6-hydroxy substituent has beta-configuration. phenio.json 6beta-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36851 3_STAR
CHEBI:36852 biolink:ChemicalSubstance 26-hydroxy steroid Any hydroxy steroid in which a hydroxy group is located at position 26. phenio.json 26-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36852 3_STAR
CHEBI:36853 biolink:ChemicalSubstance hydroxy seco-steroid phenio.json hydroxy seco-steroids http://purl.obolibrary.org/obo/CHEBI_36853 3_STAR
CHEBI:36854 biolink:ChemicalSubstance 20-hydroxy steroid Any hydroxy steroid that in which the steroid skeleton contains a hydroxy substituent at position 20. phenio.json 20-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36854 3_STAR
CHEBI:36855 biolink:ChemicalSubstance 18-hydroxy steroid phenio.json 18-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36855 3_STAR
CHEBI:36856 biolink:ChemicalSubstance hydrogen isocyanide Beilstein:2069401|CAS:6914-07-4|Gmelin:113 phenio.json CNH|HN(+)#C(-)|HNC|hydrogen isocyanide|hydroisocyanic acid|nitriliomethanide http://purl.obolibrary.org/obo/CHEBI_36856 3_STAR
CHEBI:36857 biolink:ChemicalSubstance 2-hydroxy steroid Any hydroxy steroid carrying a hydroxy group at position 2. phenio.json 2-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36857 3_STAR
CHEBI:36858 biolink:ChemicalSubstance 2alpha-hydroxy steroid A 2-hydroxy steroid in which the hydroxy group at position 2 has an alpha-configuration. phenio.json 2alpha-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36858 3_STAR
CHEBI:36859 biolink:ChemicalSubstance 2beta-hydroxy steroid phenio.json 2beta-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36859 3_STAR
CHEBI:36860 biolink:ChemicalSubstance 14-hydroxy steroid phenio.json 14-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36860 3_STAR
CHEBI:36861 biolink:ChemicalSubstance 14alpha-hydroxy steroid phenio.json 14alpha-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36861 3_STAR
CHEBI:36862 biolink:ChemicalSubstance 14beta-hydroxy steroid A 14-hydroxy steroid in which the hydroxy group has a beta-configuration. phenio.json 14beta-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36862 3_STAR
CHEBI:36863 biolink:ChemicalSubstance 22-hydroxy steroid phenio.json 22-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36863 3_STAR
CHEBI:36864 biolink:ChemicalSubstance 25-hydroxy steroid phenio.json 25-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36864 3_STAR
CHEBI:36865 biolink:ChemicalSubstance 24-hydroxy steroid phenio.json 24-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36865 3_STAR
CHEBI:36866 biolink:ChemicalSubstance 23-hydroxy steroid phenio.json 23-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_36866 3_STAR
CHEBI:36871 biolink:ChemicalSubstance inorganic radical phenio.json inorganic radicals http://purl.obolibrary.org/obo/CHEBI_36871 3_STAR
CHEBI:36872 biolink:ChemicalSubstance organic radical phenio.json organic radicals http://purl.obolibrary.org/obo/CHEBI_36872 3_STAR
CHEBI:36873 biolink:ChemicalSubstance radical anion phenio.json anion radical|radical anion|radical anions http://purl.obolibrary.org/obo/CHEBI_36873 3_STAR
CHEBI:36874 biolink:ChemicalSubstance radical cation phenio.json cation radical|radical cation|radical cations http://purl.obolibrary.org/obo/CHEBI_36874 3_STAR
CHEBI:36875 biolink:ChemicalSubstance radical ion A radical that carries an electric charge. phenio.json ion radical|radical ion|radical ions http://purl.obolibrary.org/obo/CHEBI_36875 3_STAR
CHEBI:36876 biolink:ChemicalSubstance inorganic radical anion phenio.json inorganic anion radical|inorganic radical anions http://purl.obolibrary.org/obo/CHEBI_36876 3_STAR
CHEBI:36877 biolink:ChemicalSubstance organic radical anion phenio.json organic anion radical|organic radical anions http://purl.obolibrary.org/obo/CHEBI_36877 3_STAR
CHEBI:36878 biolink:ChemicalSubstance inorganic radical ion phenio.json inorganic ion radical|inorganic radical ions http://purl.obolibrary.org/obo/CHEBI_36878 3_STAR
CHEBI:36880 biolink:ChemicalSubstance organic radical ion phenio.json organic ion radical|organic radical ions http://purl.obolibrary.org/obo/CHEBI_36880 3_STAR
CHEBI:36881 biolink:ChemicalSubstance organic radical cation phenio.json organic cation radical|organic radical cations http://purl.obolibrary.org/obo/CHEBI_36881 3_STAR
CHEBI:36882 biolink:ChemicalSubstance (3S)-citramalyl-CoA The (3S)-diastereomer of citramalyl-CoA. HMDB:HMDB0006345|KEGG:C01011|MetaCyc:CPD-627 phenio.json (3S)-Citramalyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3S)-3-carboxy-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|L-Citramalyl-CoA http://purl.obolibrary.org/obo/CHEBI_36882 3_STAR
CHEBI:36883 biolink:ChemicalSubstance 6-oxo steroid phenio.json 6-oxo steroids http://purl.obolibrary.org/obo/CHEBI_36883 3_STAR
CHEBI:36884 biolink:ChemicalSubstance 26-oxo steroid phenio.json 26-oxo steroids http://purl.obolibrary.org/obo/CHEBI_36884 3_STAR
CHEBI:36885 biolink:ChemicalSubstance 20-oxo steroid An oxo steroid carrying an oxo group at position 20. phenio.json 20-oxo steroids http://purl.obolibrary.org/obo/CHEBI_36885 3_STAR
CHEBI:36886 biolink:ChemicalSubstance 21-oxo steroid phenio.json 21-oxo steroids http://purl.obolibrary.org/obo/CHEBI_36886 3_STAR
CHEBI:36887 biolink:ChemicalSubstance 18-oxo steroid phenio.json 18-oxo steroids http://purl.obolibrary.org/obo/CHEBI_36887 3_STAR
CHEBI:36891 biolink:ChemicalSubstance diatomic iodine phenio.json http://purl.obolibrary.org/obo/CHEBI_36891 3_STAR
CHEBI:36892 biolink:ChemicalSubstance elemental fluorine phenio.json http://purl.obolibrary.org/obo/CHEBI_36892 3_STAR
CHEBI:36893 biolink:ChemicalSubstance elemental iodine phenio.json http://purl.obolibrary.org/obo/CHEBI_36893 3_STAR
CHEBI:36894 biolink:ChemicalSubstance elemental bromine phenio.json http://purl.obolibrary.org/obo/CHEBI_36894 3_STAR
CHEBI:36895 biolink:ChemicalSubstance monoatomic fluorine phenio.json atomic fluorine http://purl.obolibrary.org/obo/CHEBI_36895 3_STAR
CHEBI:36896 biolink:ChemicalSubstance monoatomic bromine phenio.json atomic bromine http://purl.obolibrary.org/obo/CHEBI_36896 3_STAR
CHEBI:36897 biolink:ChemicalSubstance monoatomic iodine phenio.json atomic iodine http://purl.obolibrary.org/obo/CHEBI_36897 3_STAR
CHEBI:368997 biolink:ChemicalSubstance N-benzyloxycarbonylglycinate An N-acylglycinate that is the conjugate base of N-benzyloxycarbonylglycine; major species at pH 7.3. Beilstein:3970715|Gmelin:875455 phenio.json Cbz-glycinate|N-benzyloxycarbonylglycinate anion|N-benzyloxycarbonylglycinate(1-)|N-benzyloxycarbonylglycine|Z-glycinate|{[(benzyloxy)carbonyl]amino}acetate http://purl.obolibrary.org/obo/CHEBI_368997 3_STAR
CHEBI:36902 biolink:ChemicalSubstance chalcogen hydride phenio.json chalcogen hydride|chalcogen hydrides http://purl.obolibrary.org/obo/CHEBI_36902 3_STAR
CHEBI:36903 biolink:ChemicalSubstance selenium hydride phenio.json hydrides of selenium|selenium hydride|selenium hydrides http://purl.obolibrary.org/obo/CHEBI_36903 3_STAR
CHEBI:36904 biolink:ChemicalSubstance elemental selenium CAS:7782-49-2 phenio.json elemental selenium http://purl.obolibrary.org/obo/CHEBI_36904 3_STAR
CHEBI:36914 biolink:ChemicalSubstance inorganic ion phenio.json inorganic ions http://purl.obolibrary.org/obo/CHEBI_36914 3_STAR
CHEBI:36915 biolink:ChemicalSubstance inorganic cation phenio.json inorganic cations http://purl.obolibrary.org/obo/CHEBI_36915 3_STAR
CHEBI:36916 biolink:ChemicalSubstance cation A monoatomic or polyatomic species having one or more elementary charges of the proton. KEGG:C01373 phenio.json Cation|Kation|Kationen|cation|cationes|cations http://purl.obolibrary.org/obo/CHEBI_36916 3_STAR
CHEBI:36919 biolink:ChemicalSubstance antimony molecular entity phenio.json antimony compounds|antimony molecular entities|antimony molecular entity http://purl.obolibrary.org/obo/CHEBI_36919 3_STAR
CHEBI:36920 biolink:ChemicalSubstance antimony oxoacid phenio.json antimony oxoacids|oxoacids of antimony http://purl.obolibrary.org/obo/CHEBI_36920 3_STAR
CHEBI:36921 biolink:ChemicalSubstance antimony oxoanion phenio.json antimony oxoanion|antimony oxoanions|oxoanions of antimony http://purl.obolibrary.org/obo/CHEBI_36921 3_STAR
CHEBI:36926 biolink:ChemicalSubstance but-2-enoyl-CoA CAS:992-67-6|KEGG:C00877 phenio.json 2-Butenoyl-CoA|3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(but-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|But-2-enoyl-CoA|Crotonyl-CoA|S-But-2-enoylcoenzyme A|trans-But-2-enoyl-CoA http://purl.obolibrary.org/obo/CHEBI_36926 3_STAR
CHEBI:36941 biolink:ChemicalSubstance (S)-mandelonitrile Beilstein:3588634|Beilstein:3588635|KEGG:C02615|PDBeChem:MNN phenio.json (-)-mandelonitrile|(2S)-hydroxy(phenyl)acetonitrile|(S)-(-)-mandelonitrile|(S)-Benzaldehyde cyanohydrin|(S)-MANDELIC ACID NITRILE|(S)-Mandelonitrile|(S)-mandelonitrile|l-mandelonitrile http://purl.obolibrary.org/obo/CHEBI_36941 3_STAR
CHEBI:36942 biolink:ChemicalSubstance pterin phosphate phenio.json pterin phosphates http://purl.obolibrary.org/obo/CHEBI_36942 3_STAR
CHEBI:36943 biolink:ChemicalSubstance aryl phosphate phenio.json aryl phosphates http://purl.obolibrary.org/obo/CHEBI_36943 3_STAR
CHEBI:36944 biolink:ChemicalSubstance steroid phosphate phenio.json steroid phosphates http://purl.obolibrary.org/obo/CHEBI_36944 3_STAR
CHEBI:36946 biolink:ChemicalSubstance thiourea The simplest member of the thiourea class, consisting of urea with the oxygen atom substituted by sulfur. CAS:62-56-6|Gmelin:1604|KEGG:C14415|PDBeChem:TOU|PMID:12102173|PPDB:641|Patent:US2173067|Patent:US2357149|Patent:US2393917|Patent:US2552584|Patent:US2560596|Reaxys:605327|Wikipedia:Thiourea phenio.json 2-thiourea|H2NC(S)NH2|THIOUREA|Thiocarbamid|Thioharnstoff|Thiokarbamid|Thiourea|aminothioamide|aminothiocarboxamide|carbonothioic diamide|thiocarbamide|thiocarbonic acid diamide|thiourea|tu http://purl.obolibrary.org/obo/CHEBI_36946 3_STAR
CHEBI:36948 biolink:ChemicalSubstance oxoalkyl phosphate phenio.json oxoalkyl phosphates http://purl.obolibrary.org/obo/CHEBI_36948 3_STAR
CHEBI:36949 biolink:ChemicalSubstance hydroxyalkyl phosphate phenio.json hydroxyalkyl phosphates http://purl.obolibrary.org/obo/CHEBI_36949 3_STAR
CHEBI:36951 biolink:ChemicalSubstance aminoacyl phosphate phenio.json aminoacyl phosphates http://purl.obolibrary.org/obo/CHEBI_36951 3_STAR
CHEBI:36952 biolink:ChemicalSubstance carboxyalkyl phosphate phenio.json carboxyalkyl phosphates http://purl.obolibrary.org/obo/CHEBI_36952 3_STAR
CHEBI:36954 biolink:ChemicalSubstance condensed ureas phenio.json http://purl.obolibrary.org/obo/CHEBI_36954 1_STAR
CHEBI:36958 biolink:ChemicalSubstance carbonothioic O,O-acid Beilstein:1847283|Gmelin:100754 phenio.json HO-CS-OH|[C(OH)2S]|carbonothioic O,O-acid|dihydroxidosulfidocarbon http://purl.obolibrary.org/obo/CHEBI_36958 3_STAR
CHEBI:36959 biolink:ChemicalSubstance carbonothioic O,S-acid phenio.json HO-CO-SH|[CO(OH)(SH)]|carbonothioic O,S-acid|carbonothioic S-acid|hydroxidooxidosulfanidocarbon http://purl.obolibrary.org/obo/CHEBI_36959 3_STAR
CHEBI:3696 biolink:ChemicalSubstance cidofovir anhydrous Cytosine substituted at the 1 position by a 3-hydroxy-2-(phosphonomethoxy)propyl group (S configuration). A nucleoside analogue, it is an injectable antiviral used for the treatment of cytomegalovirus (CMV) retinitis in AIDS patients. Beilstein:5080484|CAS:113852-37-2|DrugBank:DB00369|Drug_Central:639|KEGG:C06909|Patent:EP253412|Patent:US5142051|Wikipedia:Cidofovir phenio.json (S)-(3-(4-amino-2-oxopyrimidin-1(2H)-yl)-1-hydroxypropan-2-yloxy)methylphosphonic acid|(S)-1-(3-hydroxy-2-phosphonomethoxypropyl)cytosine|(S)-1-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine|(S)-1-[3-hydroxy-2-(phosphonylmethoxy)propyl]cytosine|(S)-HPMPC|({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid|1-(S)-[3-hydroxy-2-(phosphonomethoxy)propyl]cytosine|1-[(S)-3-hydroxy-2-(phosphonomethoxy)propyl]cytosine|CDV|Cidofovir|Cidofovir anhydrous|[(S)-2-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-1-hydroxymethyl-ethoxymethyl]-phosphonic acid|cidofovir http://purl.obolibrary.org/obo/CHEBI_3696 3_STAR
CHEBI:36960 biolink:ChemicalSubstance carbonothioic acid phenio.json H2CO2S|carbonothioic acid|thiocarbonic acid http://purl.obolibrary.org/obo/CHEBI_36960 3_STAR
CHEBI:36961 biolink:ChemicalSubstance chalcocarbonic acid phenio.json chalcocarbonic acid|chalcocarbonic acids http://purl.obolibrary.org/obo/CHEBI_36961 3_STAR
CHEBI:36962 biolink:ChemicalSubstance organochalcogen compound An organochalcogen compound is a compound containing at least one carbon-chalcogen bond. phenio.json organochalcogen compound|organochalcogen compounds http://purl.obolibrary.org/obo/CHEBI_36962 3_STAR
CHEBI:36963 biolink:ChemicalSubstance organooxygen compound An organochalcogen compound containing at least one carbon-oxygen bond. PMID:17586126 phenio.json organooxygen compound|organooxygen compounds http://purl.obolibrary.org/obo/CHEBI_36963 3_STAR
CHEBI:36969 biolink:ChemicalSubstance farnesoic acid A methyl-branched, trienoic fatty acid consisting of dodeca-2,6,10-trienoic acid having three methyl substituents at the 3-, 7- and 11-positions. CAS:7548-13-2|PMID:11958988|PMID:18242777|PMID:19919838|PMID:20965180|PMID:21187079|PMID:21195178|PMID:21195763|Reaxys:1785779 phenio.json 3,7,11-trimethyldodeca-2,6,10-trienoic acid http://purl.obolibrary.org/obo/CHEBI_36969 3_STAR
CHEBI:3697 biolink:ChemicalSubstance cilastatin The thioether resulting from the formal oxidative coupling of the thiol group of L-cysteine with the 7-position of (2Z)-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoic acid. It is an inhibitor of dehydropeptidase I (membrane dipeptidase, 3.4.13.19), an enzyme found in the brush border of renal tubes and responsible for degrading the antibiotic imipenem. Cilastatin is therefore administered (as the sodium salt) with imipenem to prolong the antibacterial effect of the latter by preventing its renal metabolism to inactive and potentially nephrotoxic products. Cilastatin also acts as a leukotriene D4 dipeptidase inhibitor, preventing the metabolism of leukotriene D4 to leukotriene E4. CAS:82009-34-5|DrugBank:DB01597|Drug_Central:640|KEGG:C01675|KEGG:D07698|PDBeChem:CIL|PMID:3495664|Patent:EP48025|Patent:EP48301|Patent:EP72014|Reaxys:6895069|Wikipedia:Cilastatin phenio.json (2Z)-7-{[(2R)-2-amino-2-carboxyethyl]sulfanyl}-2-({[(1S)-2,2-dimethylcyclopropyl]carbonyl}amino)hept-2-enoic acid|(L)-7-(2-Amino-2-carboxy-ethylsulfanyl)-2-[(2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid|(Z)-(S)-6-carboxy-6-[(S)-2,2-dimethylcyclopropanecarboxamido]hex-5-enyl-L-cysteine|(Z)-7-((R)-2-Amino-2-carboxy-ethylsulfanyl)-2-[((S)-2,2-dimethyl-cyclopropanecarbonyl)-amino]-hept-2-enoic acid|cilastatin|cilastatina|cilastatine|cilastatinum http://purl.obolibrary.org/obo/CHEBI_3697 3_STAR
CHEBI:36970 biolink:ChemicalSubstance vitamin B6 phosphate phenio.json vitamin B-6 phosphates|vitamin B6 phosphates http://purl.obolibrary.org/obo/CHEBI_36970 3_STAR
CHEBI:36971 biolink:ChemicalSubstance dodecatrienoic acid Any trienoic fatty acid having twelve carbons. phenio.json dodecatrienoic acid http://purl.obolibrary.org/obo/CHEBI_36971 3_STAR
CHEBI:36972 biolink:ChemicalSubstance dodeca-2,6,10-trienoic acid phenio.json dodeca-2,6,10-trienoic acid http://purl.obolibrary.org/obo/CHEBI_36972 3_STAR
CHEBI:36973 biolink:ChemicalSubstance graphene A single carbon layer of the graphite structure, describing its nature by analogy to a polycyclic aromatic hydrocarbon of quasi infinite size. phenio.json Graphen|grafeno|graphene|graphene layer http://purl.obolibrary.org/obo/CHEBI_36973 3_STAR
CHEBI:36974 biolink:ChemicalSubstance aminoglycoside phosphate phenio.json aminoglycoside phosphates http://purl.obolibrary.org/obo/CHEBI_36974 3_STAR
CHEBI:36976 biolink:ChemicalSubstance nucleotide A nucleotide is a nucleoside phosphate resulting from the condensation of the 3 or 5 hydroxy group of a nucleoside with phosphoric acid. KEGG:C00215|Wikipedia:Nucleotide phenio.json Nucleotide|nucleotides http://purl.obolibrary.org/obo/CHEBI_36976 3_STAR
CHEBI:36979 biolink:ChemicalSubstance N-glycosylpyridine phenio.json N-glycosylpyridines http://purl.obolibrary.org/obo/CHEBI_36979 3_STAR
CHEBI:3698 biolink:ChemicalSubstance cilazapril A pyridazinodiazepine resulting from the formal condensation of the carboxy group of cilazaprilat with ethanol. It is a drug used in the treatment of hypertension and heart failure. CAS:88768-40-5|DrugBank:DB01340|Drug_Central:641|HMDB:HMDB0015433|KEGG:D07699|PMID:18297254|PMID:1836986|PMID:21760854|PMID:24383331|PMID:24754013|PMID:25272892|PMID:28334985|PMID:28445944|PMID:31531043|Wikipedia:Cilazapril phenio.json (1S,9S)-9-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}-10-oxooctahydro-6H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid|Cilazapril anhydrous|Dynorm|Inhibace|Ro 34-2848|Vascace|Vascase|cilazapril|cilazaprilum http://purl.obolibrary.org/obo/CHEBI_3698 3_STAR
CHEBI:36980 biolink:ChemicalSubstance pyridine nucleotide phenio.json pyridine nucleotides http://purl.obolibrary.org/obo/CHEBI_36980 3_STAR
CHEBI:36981 biolink:ChemicalSubstance flavin nucleotide phenio.json flavin nucleotides http://purl.obolibrary.org/obo/CHEBI_36981 3_STAR
CHEBI:36982 biolink:ChemicalSubstance cyclic purine nucleotide phenio.json cyclic purine nucleotides http://purl.obolibrary.org/obo/CHEBI_36982 3_STAR
CHEBI:36983 biolink:ChemicalSubstance cyclic pyrimidine nucleotide phenio.json cyclic pyrimidine nucleotides http://purl.obolibrary.org/obo/CHEBI_36983 3_STAR
CHEBI:36986 biolink:ChemicalSubstance mesaconate(2-) A dicarboxylic acid dianion that is the conjugate base of mesaconic acid. KEGG:C01732 phenio.json (2E)-2-methylbut-2-enedioate|2-Methylfumarate|Mesaconate|mesaconate|methylfumarate http://purl.obolibrary.org/obo/CHEBI_36986 3_STAR
CHEBI:36987 biolink:ChemicalSubstance 3'-deoxyribonucleoside phenio.json 3'-deoxyribonucleosides http://purl.obolibrary.org/obo/CHEBI_36987 3_STAR
CHEBI:36988 biolink:ChemicalSubstance 5'-deoxyribonucleoside phenio.json http://purl.obolibrary.org/obo/CHEBI_36988 1_STAR
CHEBI:3699 biolink:ChemicalSubstance cimetidine A member of the class of guanidines that consists of guanidine carrying a methyl substituent at position 1, a cyano group at position 2 and a 2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl group at position 3. It is a H2-receptor antagonist that inhibits the production of acid in stomach. CAS:51481-61-9|DrugBank:DB00501|Drug_Central:645|HMDB:HMDB0014644|KEGG:D00295|LINCS:LSM-2404|PMID:11910267|PMID:15637527|PMID:7229121|Patent:BE804144|Patent:US3950333|Reaxys:6516325|VSDB:1892|Wikipedia:Cimetidine phenio.json 1-Cyano-2-methyl-3-(2-(((5-methyl-4-imidazolyl)methyl)thio)ethyl)guanidine|2-cyano-1-methyl-3-(2-(((5-methylimidazol-4-yl)methyl)thio)ethyl)guanidine|2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine|Cimetag|N''-cyano-N-methyl-N'-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine|N-cyano-N'-methyl-N''-(2-([(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl)ethyl)guanidine|Tagamet HB 200|Ulcerfen|cimetidina|cimetidine|cimetidinum http://purl.obolibrary.org/obo/CHEBI_3699 3_STAR
CHEBI:36991 biolink:ChemicalSubstance C-glycosyl pyrimidine phenio.json C-glycosyl pyrimidines http://purl.obolibrary.org/obo/CHEBI_36991 3_STAR
CHEBI:36993 biolink:ChemicalSubstance purine 2'-deoxyribonucleoside 5'-monophosphate phenio.json purine 2'-deoxyribonucleoside 5'-monophosphates http://purl.obolibrary.org/obo/CHEBI_36993 3_STAR
CHEBI:36994 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleoside 3'-monophosphate phenio.json pyrimidine 2'-deoxyribonucleoside 3'-monophosphates http://purl.obolibrary.org/obo/CHEBI_36994 3_STAR
CHEBI:36995 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleoside 5'-monophosphate phenio.json pyrimidine 2'-deoxyribonucleoside 5'-monophosphates http://purl.obolibrary.org/obo/CHEBI_36995 3_STAR
CHEBI:37000 biolink:ChemicalSubstance (4S,5R)-dethiobiotin Beilstein:958698 phenio.json 6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid http://purl.obolibrary.org/obo/CHEBI_37000 3_STAR
CHEBI:37007 biolink:ChemicalSubstance nicotinamide dinucleotide phenio.json nicotinamide dinucleotides http://purl.obolibrary.org/obo/CHEBI_37007 3_STAR
CHEBI:37008 biolink:ChemicalSubstance nicotinic acid mononucleotide phenio.json nicotinic acid mononucleotides http://purl.obolibrary.org/obo/CHEBI_37008 3_STAR
CHEBI:37009 biolink:ChemicalSubstance ribonucleoside 3'-monophosphate A ribonucleoside monophosphate in which the phosphate group is at the ribosyl 3-position. KEGG:C02508 phenio.json 3'-Nucleoside monophosphate|3'-Phosphomononucleotides|3'-Ribonucleotide|3'-phosphoribonucleotides|ribonucleoside 3'-monophosphates http://purl.obolibrary.org/obo/CHEBI_37009 3_STAR
CHEBI:37010 biolink:ChemicalSubstance ribonucleoside 5'-monophosphate phenio.json ribonucleoside 5'-monophosphates http://purl.obolibrary.org/obo/CHEBI_37010 3_STAR
CHEBI:37011 biolink:ChemicalSubstance 4-oxoproline The 4-isomer of oxoproline. MetaCyc:4-OXOPROLINE|PMID:22770225|Reaxys:82136 phenio.json 4-Oxoproline|4-oxo-DL-proline|4-oxoproline|4-oxopyrrolidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_37011 3_STAR
CHEBI:37012 biolink:ChemicalSubstance L-3-oxoalanine The L-enantiomer of 3-oxoalanine. KEGG:C11822 phenio.json (2S)-2-amino-3-oxopropanoic acid|2-Aminomalonate semialdehyde|2-Ammoniomalonate semialdehyde|3-oxo-L-alanine|L-alpha-formylglycine http://purl.obolibrary.org/obo/CHEBI_37012 3_STAR
CHEBI:37013 biolink:ChemicalSubstance ribonucleoside 3'-phosphate phenio.json ribonucleoside 3'-phosphates http://purl.obolibrary.org/obo/CHEBI_37013 3_STAR
CHEBI:37014 biolink:ChemicalSubstance 2'-deoxyribonucleoside 3'-phosphate phenio.json 2'-deoxyribonucleoside 3'-phosphates http://purl.obolibrary.org/obo/CHEBI_37014 3_STAR
CHEBI:37015 biolink:ChemicalSubstance ribonucleoside 5'-phosphate phenio.json ribonucleoside 5'-phosphates http://purl.obolibrary.org/obo/CHEBI_37015 3_STAR
CHEBI:37016 biolink:ChemicalSubstance 2'-deoxyribonucleoside 5'-phosphate phenio.json 2'-deoxyribonucleoside 5'-phosphates http://purl.obolibrary.org/obo/CHEBI_37016 3_STAR
CHEBI:37018 biolink:ChemicalSubstance pyrimidine ribonucleoside 3'-monophosphate phenio.json pyrimidine ribonucleoside 3'-monophosphates http://purl.obolibrary.org/obo/CHEBI_37018 3_STAR
CHEBI:37021 biolink:ChemicalSubstance purine ribonucleoside 5'-monophosphate phenio.json purine ribonucleoside 5'-monophosphates http://purl.obolibrary.org/obo/CHEBI_37021 3_STAR
CHEBI:37022 biolink:ChemicalSubstance amino-acid anion phenio.json amino acid anion|amino acid anions|amino-acid anions http://purl.obolibrary.org/obo/CHEBI_37022 3_STAR
CHEBI:37023 biolink:ChemicalSubstance L-2-aminoadipic acid The L-enantiomer of 2-aminoadipic acid. CAS:1118-90-7|CAS:542-32-5|KEGG:C00956|KNApSAcK:C00007393|MetaCyc:CPD-468|PDBeChem:UN1|PMID:22589427|PMID:7205262|PMID:8899651|Reaxys:1724348 phenio.json (2S)-2-aminohexanedioic acid|(S)-2-aminohexanedioic acid|L-2-Aminoadipate|L-2-Aminoadipic acid|L-2-Aminohexanedioate|L-alpha-Aminoadipate|L-alpha-Aminoadipic acid http://purl.obolibrary.org/obo/CHEBI_37023 3_STAR
CHEBI:37024 biolink:ChemicalSubstance 2-aminoadipic acid An alpha-amino acid that is adipic acid bearing a single amino substituent at position 2. An intermediate in the formation of lysine. Beilstein:1773077|CAS:542-32-5|HMDB:HMDB0000510|PMID:22264337|PMID:31148|PMID:6462455|Reaxys:1724349|Wikipedia:Alpha-Aminoadipic_acid phenio.json (+/-)-2-Aminoadipic acid|2-aminoadipic acid|2-aminohexanedioic acid|Aad|DL-2-Aminoadipic acid|DL-2-Aminohexanedioic acid|DL-alpha-Aminoadipic acid|alpha-Aminoadipic acid|alpha-aminoadipic acid|aminoadipic acid http://purl.obolibrary.org/obo/CHEBI_37024 3_STAR
CHEBI:37025 biolink:ChemicalSubstance D-2-aminoadipic acid An optically active form of 2-aminoadipic acid having D-configuration. CAS:7620-28-2|PMID:22770225|Reaxys:1724347 phenio.json (2R)-2-aminohexanedioic acid|D-alpha-aminoadipic acid http://purl.obolibrary.org/obo/CHEBI_37025 3_STAR
CHEBI:370252 biolink:ChemicalSubstance xylitol 5-phosphate(2-) Dianion of xylitol 5-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3. Beilstein:3673341 phenio.json 5-O-phosphonato-D-xylitol|D-xylitol 5-phosphate|xylitol 5-phosphate http://purl.obolibrary.org/obo/CHEBI_370252 3_STAR
CHEBI:37034 biolink:ChemicalSubstance O-acetyl-D-homoserine The O-acetyl derivative of D-homoserine. Beilstein:6966159 phenio.json (2R)-4-(acetyloxy)-2-aminobutanoic acid http://purl.obolibrary.org/obo/CHEBI_37034 3_STAR
CHEBI:37035 biolink:ChemicalSubstance 3-hydroxyhexanoic acid Beilstein:1721818|CAS:10191-24-9|LIPID_MAPS_instance:LMFA01050012 phenio.json 3-Hydroxycaproic acid http://purl.obolibrary.org/obo/CHEBI_37035 3_STAR
CHEBI:37036 biolink:ChemicalSubstance purine 2'-deoxyribonucleoside 5'-diphosphate phenio.json purine 2'-deoxyribonucleoside 5'-diphosphates http://purl.obolibrary.org/obo/CHEBI_37036 3_STAR
CHEBI:37037 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleoside 5'-diphosphate phenio.json pyrimidine 2'-deoxyribonucleoside 5'-diphosphates http://purl.obolibrary.org/obo/CHEBI_37037 3_STAR
CHEBI:37038 biolink:ChemicalSubstance purine ribonucleoside 5'-diphosphate phenio.json purine ribonucleoside 5'-diphosphates http://purl.obolibrary.org/obo/CHEBI_37038 3_STAR
CHEBI:37039 biolink:ChemicalSubstance pyrimidine ribonucleoside 5'-diphosphate phenio.json pyrimidine ribonucleoside 5'-diphosphates http://purl.obolibrary.org/obo/CHEBI_37039 3_STAR
CHEBI:37040 biolink:ChemicalSubstance C-nucleoside phosphate phenio.json C-nucleoside phosphates http://purl.obolibrary.org/obo/CHEBI_37040 3_STAR
CHEBI:37041 biolink:ChemicalSubstance N-methyl-2-oxoglutaramic acid Beilstein:1776489|KEGG:C03623 phenio.json 5-(methylamino)-2,5-dioxopentanoic acid|N-Methyl-2-oxoglutaramate http://purl.obolibrary.org/obo/CHEBI_37041 3_STAR
CHEBI:37042 biolink:ChemicalSubstance purine 2'-deoxyribonucleoside 5'-triphosphate phenio.json purine 2'-deoxyribonucleoside 5'-triphosphates http://purl.obolibrary.org/obo/CHEBI_37042 3_STAR
CHEBI:37043 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleoside 5'-triphosphate phenio.json pyrimidine 2'-deoxyribonucleoside 5'-triphosphates http://purl.obolibrary.org/obo/CHEBI_37043 3_STAR
CHEBI:37044 biolink:ChemicalSubstance pyrimidine ribonucleoside 5'-triphosphate phenio.json pyrimidine ribonucleoside 5'-triphosphates http://purl.obolibrary.org/obo/CHEBI_37044 3_STAR
CHEBI:37045 biolink:ChemicalSubstance purine ribonucleoside 5'-triphosphate phenio.json purine ribonucleoside 5'-triphosphates http://purl.obolibrary.org/obo/CHEBI_37045 3_STAR
CHEBI:37046 biolink:ChemicalSubstance p-menth-8-en-3-one CAS:29606-79-9 phenio.json 1-Methyl-4-isopropenyl-3-cyclohexanone|5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-one|Isopulegone|p-menth-8-en-3-one http://purl.obolibrary.org/obo/CHEBI_37046 3_STAR
CHEBI:37047 biolink:ChemicalSubstance (+)-cis-isopulegone Beilstein:2500102|KEGG:C11951|KNApSAcK:C00000820|LIPID_MAPS_instance:LMPR0102090043 phenio.json (+)-cis-Isopulegone|(2R,5R)-5-methyl-2-(prop-1-en-2-yl)cyclohexan-1-one|(2R,5R)-isopulegone http://purl.obolibrary.org/obo/CHEBI_37047 3_STAR
CHEBI:37049 biolink:ChemicalSubstance (S)-3-hydroxyhexanoic acid Beilstein:172180 phenio.json (3S)-3-hydroxyhexanoic acid http://purl.obolibrary.org/obo/CHEBI_37049 3_STAR
CHEBI:37050 biolink:ChemicalSubstance 3-hydroxybutanoyl-CoA A hydroxybutanoyl-CoA having 3-hydroxybutanoyl as the S-acyl component. CAS:2871-66-1|DrugBank:DB03612|KEGG:C05116|PMID:21549853 phenio.json 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxybutanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}|3-Hydroxybutanoyl-CoA|3-Hydroxybutyryl-coa|3-Hydroxybutyryl-coenzyme A|Coenzyme A, S-(3-hydroxybutanoate)|S-(3-hydroxybutanoyl)-CoA|S-(3-hydroxybutanoyl)-coenzyme A|S-(3-hydroxybutyryl)-CoA|S-(3-hydroxybutyryl)-coenzyme A|beta-Hydroxybutyryl-coa|beta-Hydroxybutyryl-coenzyme A http://purl.obolibrary.org/obo/CHEBI_37050 3_STAR
CHEBI:37051 biolink:ChemicalSubstance 3-hydroxy-2-methylbutanoic acid A 3-hydroxy monocarboxylic acid that is butyric acid which is substituted by a methyl group and a hydroxy group at positions 2 and 3, respectively. Reaxys:1747118 phenio.json 2-methyl-3-hydroxybutanoic acid|2-methyl-3-hydroxybutyric acid|3-hydroxy-2-methylbutanoic acid|3-hydroxy-2-methylbutyric acid http://purl.obolibrary.org/obo/CHEBI_37051 3_STAR
CHEBI:37052 biolink:ChemicalSubstance (2S,3S)-3-hydroxy-2-methylbutanoic acid A 2-methyl-3-hydroxybutyric acid that has (2S,3S)-configuration. Beilstein:2323118 phenio.json (2S,3S)-3-hydroxy-2-methylbutanoic acid http://purl.obolibrary.org/obo/CHEBI_37052 3_STAR
CHEBI:37054 biolink:ChemicalSubstance 3-hydroxybutyrate A hydroxy fatty acid anion that is the conjugate base of 3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Reaxys:4127635 phenio.json 3-OH butyrate|3-OH-butyrate|3-hydroxybutanoate|DL-3-hydroxybutyrate|beta-hydroxy-n-butyrate|beta-hydroxybutanoate http://purl.obolibrary.org/obo/CHEBI_37054 3_STAR
CHEBI:37056 biolink:ChemicalSubstance nucleoside tetraphosphate phenio.json nucleoside tetraphosphates http://purl.obolibrary.org/obo/CHEBI_37056 3_STAR
CHEBI:37058 biolink:ChemicalSubstance ribonucleoside tetraphosphate phenio.json ribonucleoside tetraphosphates http://purl.obolibrary.org/obo/CHEBI_37058 3_STAR
CHEBI:37059 biolink:ChemicalSubstance purine nucleoside tetraphosphate phenio.json purine nucleoside tetraphosphates http://purl.obolibrary.org/obo/CHEBI_37059 3_STAR
CHEBI:37060 biolink:ChemicalSubstance pyrimidine nucleoside tetraphosphate phenio.json pyrimidine nucleoside tetraphosphates http://purl.obolibrary.org/obo/CHEBI_37060 3_STAR
CHEBI:37062 biolink:ChemicalSubstance pyrimidine ribonucleoside tetraphosphate phenio.json pyrimidine ribonucleoside tetraphosphates http://purl.obolibrary.org/obo/CHEBI_37062 3_STAR
CHEBI:37063 biolink:ChemicalSubstance purine ribonucleoside tetraphosphate phenio.json purine ribonucleoside tetraphosphates http://purl.obolibrary.org/obo/CHEBI_37063 3_STAR
CHEBI:37067 biolink:ChemicalSubstance purine ribonucleoside 5'-tetraphosphate phenio.json purine ribonucleoside 5'-tetraphosphates http://purl.obolibrary.org/obo/CHEBI_37067 3_STAR
CHEBI:37068 biolink:ChemicalSubstance pyrimidine ribonucleoside 5'-tetraphosphate phenio.json pyrimidine ribonucleoside 5'-tetraphosphates http://purl.obolibrary.org/obo/CHEBI_37068 3_STAR
CHEBI:37070 biolink:ChemicalSubstance 2-methylbutyric acid A methylbutyric acid comprising a butyric acid core carrying a 2-methyl substituent. Produced from amino acid leucine during nutrient starvation in bacteria. CAS:116-53-0|DrugBank:DB03741|HMDB:HMDB0002176|KEGG:C18319|LIPID_MAPS_instance:LMFA01020072|PMID:15615815|PMID:16751541|PMID:18828792|PMID:22202876|PMID:3372640|Reaxys:1098537 phenio.json 2-Methylbutyric acid|2-methybutyric acid|2-methylbutanoic acid|2-methylbutyric acid|alpha-methyl butyric acid|alpha-methylbutyric acid|butane-2-carboxylic acid|ethylmethylacetic acid|methylethylacetic acid http://purl.obolibrary.org/obo/CHEBI_37070 3_STAR
CHEBI:37075 biolink:ChemicalSubstance ribonucleoside 5'-diphosphate phenio.json ribonucleoside 5'-diphosphates http://purl.obolibrary.org/obo/CHEBI_37075 3_STAR
CHEBI:37076 biolink:ChemicalSubstance ribonucleoside 5'-triphosphate phenio.json ribonucleoside 5'-triphosphates http://purl.obolibrary.org/obo/CHEBI_37076 3_STAR
CHEBI:37077 biolink:ChemicalSubstance ribonucleoside 5'-tetraphosphate phenio.json ribonucleoside 5'-tetraphosphates http://purl.obolibrary.org/obo/CHEBI_37077 3_STAR
CHEBI:37079 biolink:ChemicalSubstance 2-methylacetoacetic acid A 3-oxo monocarboxylic acid that is acetoacetic acid which is substituted at position 2 by a methyl group. Beilstein:1209561|CAS:2382-59-4 phenio.json 2-Methyl-3-oxo-butyric acid|2-methyl-3-oxobutanoic acid http://purl.obolibrary.org/obo/CHEBI_37079 3_STAR
CHEBI:37080 biolink:ChemicalSubstance acrylate Beilstein:3535778|Beilstein:3931336|CAS:10344-93-1|Gmelin:323518|KEGG:C00511|UM-BBD_compID:c0113 phenio.json 2-propenoate|2-propenoic acid, ion(1-)|Propenoate|acrylate|prop-2-enoate http://purl.obolibrary.org/obo/CHEBI_37080 3_STAR
CHEBI:37081 biolink:ChemicalSubstance 3-aminobutanoic acid A beta-amino acid that is butyric acid which is substituted by an amino group at position 3. CAS:541-48-0|HMDB:HMDB0031654|MetaCyc:CPD-4748|PMID:1249984|PMID:18462831|PMID:19413686|PMID:22770225|Reaxys:1720563 phenio.json 3-Aminobutyric acid|3-aminobutanoic acid|3-methyl-beta-alanine|beta-Aminobutyric acid http://purl.obolibrary.org/obo/CHEBI_37081 3_STAR
CHEBI:37084 biolink:ChemicalSubstance 3-hydroxyisovaleric acid A 3-hydroxy monocarboxylic acid that is isovaleric acid substituted at position 3 by a hydroxy group. Used as indicator of biotin deficiency. CAS:625-08-1|HMDB:HMDB0000754|LIPID_MAPS_instance:LMFA01050396|PMID:12399279|PMID:22770225|PMID:9523856|Reaxys:1743952|Wikipedia:Beta-Hydroxy_beta-methylbutyric_acid phenio.json 3-OH-isovaleric acid|3-hydroxy-3-methylbutanoic acid|3-hydroxy-3-methylbutyric acid|3-hydroxy-isovaleric acid|3-methyl-3-hydroxybutyric acid|HMB|Hmb-d6|beta-Hydroxyisovaleric acid|beta-hydroxy-beta-methylbutyric acid http://purl.obolibrary.org/obo/CHEBI_37084 3_STAR
CHEBI:37086 biolink:ChemicalSubstance C-nucleoside phenio.json http://purl.obolibrary.org/obo/CHEBI_37086 3_STAR
CHEBI:37088 biolink:ChemicalSubstance anthrol CAS:71036-28-7 phenio.json anthracenol|anthrol http://purl.obolibrary.org/obo/CHEBI_37088 3_STAR
CHEBI:37089 biolink:ChemicalSubstance ortho-fused tricyclic hydrocarbon phenio.json ortho-fused tricyclic hydrocarbons http://purl.obolibrary.org/obo/CHEBI_37089 3_STAR
CHEBI:37092 biolink:ChemicalSubstance 2'-deoxycytidine phosphate phenio.json 2'-deoxycytidine phosphates http://purl.obolibrary.org/obo/CHEBI_37092 3_STAR
CHEBI:37096 biolink:ChemicalSubstance adenosine 5'-phosphate phenio.json adenosine 5'-phosphates http://purl.obolibrary.org/obo/CHEBI_37096 3_STAR
CHEBI:37097 biolink:ChemicalSubstance adenosine 3'-phosphate phenio.json adenosine 3'-phosphates http://purl.obolibrary.org/obo/CHEBI_37097 3_STAR
CHEBI:37098 biolink:ChemicalSubstance 3-hydroxyoctanoic acid An 8-carbon, beta-hydroxy fatty acid which may be a marker for primary defects of beta-hydroxy fatty acid metabolism. Repeating unit of poly(3-hydroxyoctanoic acid), a biopolymer used by numerous bacterial species as carbon and energy reserves. Beilstein:1760767|CAS:14292-27-4|LIPID_MAPS_instance:LMFA01050021|PMID:18422622|PMID:19047387|PMID:3168281 phenio.json 3-OH octanoic acid|3-OH-caprylic acid|3-hydroxy-octanoic acid|3-hydroxycaprylic acid|3-hydroxyoctanoic acid|3HO|beta-OH-caprylic acid|beta-OH-octanoic acid|beta-hydroxycaprylic acid|beta-hydroxyoctanoic acid http://purl.obolibrary.org/obo/CHEBI_37098 3_STAR
CHEBI:37099 biolink:ChemicalSubstance (R)-3-hydroxyoctanoic acid The (R)-enantiomer of 3-hydroxyoctanoic acid; an important building block in the biomedical and pharmaceutical fields. Beilstein:1722648|LIPID_MAPS_instance:LMFA01050314|PMID:17206818|PMID:20400568 phenio.json (3R)-3-hydroxy-octanoic acid|(3R)-3-hydroxyoctanoic acid|(R)-3-OH octanoic acid|(R)-3-OH-caprylic acid|(R)-3-hydroxycaprylic acid|(R)-beta-OH-caprylic acid|(R)-beta-OH-octanoic acid|(R)-beta-hydroxycaprylic acid|(R)-beta-hydroxyoctanoic acid http://purl.obolibrary.org/obo/CHEBI_37099 3_STAR
CHEBI:371 biolink:ChemicalSubstance (S)-1-pyrroline-5-carboxylic acid A 1-pyrroline-5-carboxylic acid in which the chiral centre has S configuration. HMDB:HMDB0001301|KEGG:C03912|KNApSAcK:C00007606|Reaxys:9254517 phenio.json (2S)-3,4-dihydro-2H-pyrrole-2-carboxylic acid|(S)-1-Pyrroline-5-carboxylate|1-Pyrroline-5-carboxylate|L-1-Pyrroline-5-carboxylate http://purl.obolibrary.org/obo/CHEBI_371 3_STAR
CHEBI:37100 biolink:ChemicalSubstance (S)-3-hydroxyoctanoic acid The (S)-enantiomer of 3-hydroxyoctanoic acid. Beilstein:1722649 phenio.json (3S)-3-hydroxy-octanoic acid|(3S)-3-hydroxyoctanoic acid|(S)-3-OH octanoic acid|(S)-3-OH-caprylic acid|(S)-3-hydroxycaprylic acid|(S)-beta-OH-caprylic acid|(S)-beta-OH-octanoic acid|(S)-beta-hydroxycaprylic acid|(S)-beta-hydroxyoctanoic acid http://purl.obolibrary.org/obo/CHEBI_37100 3_STAR
CHEBI:37102 biolink:ChemicalSubstance nucleoside pentaphosphate phenio.json nucleoside pentaphosphates http://purl.obolibrary.org/obo/CHEBI_37102 3_STAR
CHEBI:37105 biolink:ChemicalSubstance 2-aminopteridin-4(1H)-one Beilstein:976851|CAS:2236-60-4 phenio.json 2-amino-1H-pteridin-4-one|2-amino-4(1H)-pteridinone|2-aminopteridin-4(1H)-one http://purl.obolibrary.org/obo/CHEBI_37105 3_STAR
CHEBI:37107 biolink:ChemicalSubstance 7-methyl-3-oxooctanoic acid Beilstein:4858725 phenio.json 7-methyl-3-oxooctanoic acid http://purl.obolibrary.org/obo/CHEBI_37107 3_STAR
CHEBI:37108 biolink:ChemicalSubstance 7-methyloctanoic acid A branched-chain saturated fatty acid consisting of octanoic acid carrying a 7-methyl group. CAS:693-19-6|LIPID_MAPS_instance:LMFA01020003|Reaxys:1752332 phenio.json 7-Methyl-octansaeure|7-Methyloctansaeure|7-methyl caprylic acid|7-methyl-octanoic acid|7-methylcaprylic acid|7-methyloctanoic acid|isononanic acid|isononanoic acid|isopelargonic acid http://purl.obolibrary.org/obo/CHEBI_37108 3_STAR
CHEBI:37121 biolink:ChemicalSubstance guanosine 5'-phosphate phenio.json guanosine 5'-phosphates http://purl.obolibrary.org/obo/CHEBI_37121 3_STAR
CHEBI:37123 biolink:ChemicalSubstance nucleoside bisphosphate phenio.json nucleoside bisphosphates http://purl.obolibrary.org/obo/CHEBI_37123 3_STAR
CHEBI:37124 biolink:ChemicalSubstance guanosine bisphosphate phenio.json guanosine bisphosphates http://purl.obolibrary.org/obo/CHEBI_37124 3_STAR
CHEBI:37125 biolink:ChemicalSubstance 5-hydroxy monocarboxylic acid phenio.json 5-hydroxy acid|5-hydroxy monocarboxylic acid|5-hydroxy monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_37125 3_STAR
CHEBI:37127 biolink:ChemicalSubstance 3-methylbut-2-enoic acid A methyl-branched fatty acid that is but-2-enoic acid bearing a methyl substituent at position 3. AGR:IND44433137|CAS:541-47-9|LIPID_MAPS_instance:LMFA01020097|PMID:17200891|PMID:5370660|Patent:CN101391948|Patent:WO2012025270|Reaxys:1720305 phenio.json 3,3-Dimethylacrylic acid|3-Methyl-2-butenoic acid|3-Methylcrotonic acid|3-methylbut-2-enoic acid|SENECIC ACID|Senecioic acid|beta,beta-Dimethacrylic acid|beta,beta-Dimethylacrylic acid|beta-Methylcrotonic acid http://purl.obolibrary.org/obo/CHEBI_37127 3_STAR
CHEBI:37128 biolink:ChemicalSubstance caesium molecular entity phenio.json caesium compounds|caesium molecular entities|caesium molecular entity|cesium compounds http://purl.obolibrary.org/obo/CHEBI_37128 3_STAR
CHEBI:37133 biolink:ChemicalSubstance barium molecular entity phenio.json barium compounds|barium molecular entities|barium molecular entity http://purl.obolibrary.org/obo/CHEBI_37133 3_STAR
CHEBI:37141 biolink:ChemicalSubstance organobromine compound A compound containing at least one carbon-bromine bond. MetaCyc:Bromide|Wikipedia:Organobromine_compound phenio.json an organobromine molecule|bromoorganic compound|organobromide|organobromide compound|organobromide compounds|organobromides|organobromine compound|organobromine compounds http://purl.obolibrary.org/obo/CHEBI_37141 3_STAR
CHEBI:37142 biolink:ChemicalSubstance organoiodine compound An organoiodine compound is a compound containing at least one carbon-iodine bond. MetaCyc:Organoiodine-Compounds|Wikipedia:Organoiodine_compound phenio.json organoiodine compound|organoiodine compounds http://purl.obolibrary.org/obo/CHEBI_37142 3_STAR
CHEBI:37143 biolink:ChemicalSubstance organofluorine compound An organofluorine compound is a compound containing at least one carbon-fluorine bond. MetaCyc:Fluorides phenio.json fluoroorganic compound|fluoroorganic compounds|fluoroorganics|fluororganische Verbindungen|organofluorine compound|organofluorine compounds http://purl.obolibrary.org/obo/CHEBI_37143 3_STAR
CHEBI:37146 biolink:ChemicalSubstance molybdopterin dinucleotide phenio.json molybdopterin dinucleotides http://purl.obolibrary.org/obo/CHEBI_37146 3_STAR
CHEBI:37147 biolink:ChemicalSubstance dibromobenzene Any member of the class of bromobenzenes that consists of a benzene or a substituted benzene ring carrying two bromo groups at unspecified positions. phenio.json dibromobenzene|dibromobenzenes http://purl.obolibrary.org/obo/CHEBI_37147 3_STAR
CHEBI:37148 biolink:ChemicalSubstance bromoarene A compound derived from an arene by replacing a hydrogen atom with a bromine atom. phenio.json aryl bromide|aryl bromides|bromoarenes http://purl.obolibrary.org/obo/CHEBI_37148 3_STAR
CHEBI:37149 biolink:ChemicalSubstance bromobenzenes A member of the class of benzenes that is benzene substituted by at least one bromo group. phenio.json http://purl.obolibrary.org/obo/CHEBI_37149 3_STAR
CHEBI:37151 biolink:ChemicalSubstance 1,3-dibromobenzene A dibromobenzene carrying bromo groups at positions 1 and 3. CAS:108-36-1|Gmelin:363342|PMID:15267540|PMID:17935095|PMID:18624286|Reaxys:1904538 phenio.json 1,3-dibromobenzene|m-dibromobenzene http://purl.obolibrary.org/obo/CHEBI_37151 3_STAR
CHEBI:37153 biolink:ChemicalSubstance EC 3.1.3.16 (phosphoprotein phosphatase) inhibitor Any EC 3.1.3.* (phosphoric monoester hydrolase) inhibitor that interferes with the action of phosphoprotein phosphatase (EC 3.1.3.16). Wikipedia:Phosphoprotein_phosphatase|Wikipedia:Protein_serine/threonine_phosphatase phenio.json 3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitor|3-hydroxy 3-methylglutaryl coenzymeA reductase phosphatase inhibitors|Aspergillus awamori acid protein phosphatase inhibitor|Aspergillus awamori acid protein phosphatase inhibitors|BCKDH phosphatase inhibitor|BCKDH phosphatase inhibitors|EC 3.1.3.16 (protein serine/threonine phosphatase) inhibitors|EC 3.1.3.16 inhibitor|EC 3.1.3.16 inhibitors|HMG-CoA reductase phosphatase inhibitor|HMG-CoA reductase phosphatase inhibitors|branched-chain alpha-keto acid dehydrogenase phosphatase inhibitor|branched-chain alpha-keto acid dehydrogenase phosphatase inhibitors|calcineurin inhibitor|calcineurin inhibitors|casein phosphatase inhibitor|casein phosphatase inhibitors|phosphatase 2A inhibitor|phosphatase 2A inhibitors|phosphatase 2B inhibitor|phosphatase 2B inhibitors|phosphatase C-II inhibitor|phosphatase C-II inhibitors|phosphatase H-II inhibitor|phosphatase H-II inhibitors|phosphatase I inhibitor|phosphatase I inhibitors|phosphatase IB inhibitor|phosphatase IB inhibitors|phosphatase II inhibitor|phosphatase II inhibitors|phosphatase III inhibitor|phosphatase III inhibitors|phosphatase IV inhibitor|phosphatase IV inhibitors|phosphatase SP inhibitor|phosphatase SP inhibitors|phosphoprotein phosphatase (EC 3.1.3.16) inhibitor|phosphoprotein phosphatase (EC 3.1.3.16) inhibitors|phosphoprotein phosphatase inhibitor|phosphoprotein phosphatase inhibitors|phosphoprotein phosphohydrolase inhibitor|phosphoprotein phosphohydrolase inhibitors|phosphopyruvate dehydrogenase phosphatase inhibitor|phosphopyruvate dehydrogenase phosphatase inhibitors|phosphospectrin phosphatase inhibitor|phosphospectrin phosphatase inhibitors|polycation modulated (PCM-) phosphatase inhibitor|polycation modulated (PCM-) phosphatase inhibitors|protein D phosphatase inhibitor|protein D phosphatase inhibitors|protein phosphatase inhibitor|protein phosphatase inhibitors|protein phosphatase-1 inhibitor|protein phosphatase-1 inhibitors|protein phosphatase-2A inhibitor|protein phosphatase-2A inhibitors|protein phosphatase-2B inhibitor|protein phosphatase-2B inhibitors|protein phosphatase-2C inhibitor|protein phosphatase-2C inhibitors|protein serine/threonine phosphatase (EC 3.1.3.16) inhibitors|protein serine/threonine phosphatase inhibitor|protein serine/threonine phosphatase inhibitors|serine/threonine specific protein phosphatase inhibitor|serine/threonine specific protein phosphatase inhibitors http://purl.obolibrary.org/obo/CHEBI_37153 3_STAR
CHEBI:37154 biolink:ChemicalSubstance fumarate(1-) A hydrogen butenedioate obtained by deprotonation of one of the carboxy groups of fumaric acid. Gmelin:325290|Reaxys:1906438 phenio.json (2E)-3-carboxyacrylate|(2E)-3-carboxyprop-2-enoate|fumarate monoanion|hydrogen fumarate http://purl.obolibrary.org/obo/CHEBI_37154 3_STAR
CHEBI:37155 biolink:ChemicalSubstance hydrogen butenedioate Beilstein:5244783|Gmelin:1342303 phenio.json 3-carboxyacrylate|3-carboxyprop-2-enoate http://purl.obolibrary.org/obo/CHEBI_37155 3_STAR
CHEBI:37156 biolink:ChemicalSubstance maleate(1-) A hydrogen butenedioate that is the conjugate base of maleic acid. Gmelin:325289|Reaxys:3537457 phenio.json (2Z)-3-carboxyacrylate|(2Z)-3-carboxyprop-2-enoate|Hmale|hydrogen maleate http://purl.obolibrary.org/obo/CHEBI_37156 3_STAR
CHEBI:37157 biolink:ChemicalSubstance 3-oxodecanoic acid An oxo fatty acid that is the 3-oxo derivative of decanoic acid. Beilstein:1769971|LIPID_MAPS_instance:LMFA01060028 phenio.json 3-ketodecanoic acid|3-oxocapric acid|3-oxodecanoic acid|beta-ketocapric acid|beta-ketodecanoic acid|beta-oxodecanoic acid http://purl.obolibrary.org/obo/CHEBI_37157 3_STAR
CHEBI:37158 biolink:ChemicalSubstance bromocarboxylic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_37158 1_STAR
CHEBI:3716 biolink:ChemicalSubstance cinoxacin A member of the class of cinnolines that is 6,7-methylenedioxycinnolin-4(1H)-one bearing an ethyl group at position 1 and a carboxylic acid group at position 3. An analogue of oxolinic acid, it has similar antibacterial actions. It was formerly used for the treatment of urinary tract infections. Beilstein:1084304|CAS:28657-80-9|DrugBank:DB00827|Drug_Central:657|HMDB:HMDB0014965|KEGG:D00872|LINCS:LSM-6552|PMID:12204384|PMID:16295658|PMID:29438107|PMID:3005575|PMID:3147004|PMID:6226270|Patent:DE2005104|Patent:US3669965|Patent:US6441167|VSDB:1881|Wikipedia:Cinoxacin phenio.json 1-ethyl-4-oxo-1,4-dihydro[1,3]dioxolo[4,5-g]cinnoline-3-carboxylic acid|1-ethyl-6,7-methylenedioxy-4(1H)-oxocinnoline-3-carboxylic acid|5-Ethyl-8-oxo-5,8-dihydro-1,3-dioxa-5,6-diaza-cyclopenta[b]naphthalene-7-carboxylic acid|cinoxacin|cinoxacine|cinoxacino|cinoxacinum http://purl.obolibrary.org/obo/CHEBI_3716 3_STAR
CHEBI:37162 biolink:ChemicalSubstance trans-2-dodecenoic acid The trans isomer of 2-dodecenoic acid. LIPID_MAPS_instance:LMFA01030037|PMID:3943313|Reaxys:1722819 phenio.json (2E)-dodec-2-enoic acid|(E)-2-dodecenoic acid|12:1, n-10 trans|2-lauroleic acid|2t-Dodecensaeure|C12:1, n-10 trans|Dodecen-(2t)-saeure|trans-2-lauroleic acid|trans-dodec-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_37162 3_STAR
CHEBI:37163 biolink:ChemicalSubstance glucan A polysaccharide composed of glucose residues. CAS:9037-91-6|KEGG:C01379 phenio.json Glucan|glucan|glucans http://purl.obolibrary.org/obo/CHEBI_37163 3_STAR
CHEBI:37164 biolink:ChemicalSubstance homopolysaccharide Glycans composed of a single type of monosaccharide residue. They are named by replacing the ending '-ose' of the sugar by '-an'. phenio.json homoglycan|homopolysaccharide|homopolysaccharides http://purl.obolibrary.org/obo/CHEBI_37164 3_STAR
CHEBI:37165 biolink:ChemicalSubstance galactan Polysaccharides composed of galactose residues. KEGG:C05796|KEGG:G10534|PMID:8154046 phenio.json Galactan|galactan|galactans http://purl.obolibrary.org/obo/CHEBI_37165 3_STAR
CHEBI:37166 biolink:ChemicalSubstance xylan Polysaccharides composed of xylose residues. AGR:IND607314753|AGR:IND607391714|CAS:9014-63-5|FooDB:FDB001133|HMDB:HMDB0301774|KEGG:C00707|KEGG:C02352|KEGG:G10512|MetaCyc:Xylans|PMID:33477583|PMID:34684997|Wikipedia:Xylan phenio.json (1,4-beta-D-Xylan)n|(1,4-beta-D-Xylan)n+1|Xylan|xylan|xylans http://purl.obolibrary.org/obo/CHEBI_37166 3_STAR
CHEBI:37169 biolink:ChemicalSubstance organogermanium compound An organogermanium compound is a compound containing at least one carbon-germanium bond. phenio.json organogermanium compound|organogermanium compounds http://purl.obolibrary.org/obo/CHEBI_37169 3_STAR
CHEBI:37175 biolink:ChemicalSubstance organic hydride phenio.json organic hydrides http://purl.obolibrary.org/obo/CHEBI_37175 3_STAR
CHEBI:37176 biolink:ChemicalSubstance mononuclear parent hydride phenio.json mononuclear hydride|mononuclear hydrides|mononuclear parent hydrides http://purl.obolibrary.org/obo/CHEBI_37176 3_STAR
CHEBI:3718 biolink:ChemicalSubstance cirsilineol A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3' and hydroxy groups at positions 5 and 4' respectively. CAS:41365-32-6|KEGG:C10032|KNApSAcK:C00013595|LIPID_MAPS_instance:LMPK12111249|PMID:24689280|PMID:25295671|Reaxys:1355108|Wikipedia:Cirsilineol phenio.json 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethoxy-4H-1-benzopyran-4-one http://purl.obolibrary.org/obo/CHEBI_3718 3_STAR
CHEBI:37185 biolink:ChemicalSubstance lead coordination entity phenio.json lead coordination compounds|lead coordination entities|lead coordination entity http://purl.obolibrary.org/obo/CHEBI_37185 3_STAR
CHEBI:37190 biolink:ChemicalSubstance silicon coordination entity phenio.json silicon coordination compounds|silicon coordination entities|silicon coordination entity http://purl.obolibrary.org/obo/CHEBI_37190 3_STAR
CHEBI:37191 biolink:ChemicalSubstance silicon oxoanion phenio.json http://purl.obolibrary.org/obo/CHEBI_37191 1_STAR
CHEBI:37193 biolink:ChemicalSubstance elemental lead phenio.json http://purl.obolibrary.org/obo/CHEBI_37193 3_STAR
CHEBI:37196 biolink:ChemicalSubstance bismuth molecular entity phenio.json bismuth compounds|bismuth molecular entities|bismuth molecular entity http://purl.obolibrary.org/obo/CHEBI_37196 3_STAR
CHEBI:3720 biolink:ChemicalSubstance cisapride The amide resulting from formal condensation of 4-amino-5-chloro-2-methoxybenzoic acid with cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-amine. It has been used (as its monohydrate or as its tartrate) for the treatment of gastro-oesophageal reflux disease and for non-ulcer dyspepsia, but its propensity to cause cardiac arrhythmias resulted in its complete withdrawal from many countries, including the U.K., and restrictions on its use elsewhere. CAS:81098-60-4|DrugBank:DB00604|KEGG:C06910|KEGG:D00274|LINCS:LSM-2133|PMID:10891117|PMID:12190308|PMID:19110341|PMID:19663444|PMID:1995885|PMID:2139471|Patent:EP76530|Patent:US4962115 phenio.json (+-)-cisapride|4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl]-3-methoxy-piperidin-4-yl}-2-methoxy-benzamide|4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide|4-amino-5-chloro-N-{cis-1-[3-(4-fluorophenoxy)propyl]-3-methoxypiperidin-4-yl}-2-methoxybenzamide|Cisapride|cis-4-amino-5-chloro-N-(1-(3-(p-fluorophenoxy)propyl)-3-methoxy-4-piperidyl)-o-anisamide|cis-4-amino-5-chloro-N-{1-[3-(4-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl}-2-methoxybenzamide|cis-4-amino-5-chloro-N-{1-[3-(p-fluorophenoxy)propyl]-3-methoxy-4-piperidinyl}-o-anisamide|cisaprida|cisapride|cisapridum http://purl.obolibrary.org/obo/CHEBI_3720 3_STAR
CHEBI:37205 biolink:ChemicalSubstance pentol A polyol with five hydroxy groups. phenio.json pentol|pentols http://purl.obolibrary.org/obo/CHEBI_37205 3_STAR
CHEBI:37206 biolink:ChemicalSubstance hexol A polyol that contains 6 hydroxy groups. phenio.json hexol|hexols http://purl.obolibrary.org/obo/CHEBI_37206 3_STAR
CHEBI:37208 biolink:ChemicalSubstance pinitol A cyclitol ether formed by etherification of the 3-hydroxy group of chiro-inositol. It is plant metabolite isolated from the leaves of Sutherlandia frutescens. CAS:484-68-4|PMID:24374864|PMID:24503502 phenio.json 3-O-methyl-chiro-inositol|pinitol http://purl.obolibrary.org/obo/CHEBI_37208 3_STAR
CHEBI:37209 biolink:ChemicalSubstance L-pinitol The L-enantiomer of pinitol. CAS:3559-00-0|Chemspider:21865292|FooDB:FDB012527|HMDB:HMDB0034222|Reaxys:2501220 phenio.json (1R,2R,3S,4R,5S,6R)-6-methoxycyclohexane-1,2,3,4,5-pentol|1L-3-O-methyl-chiro-inositol|3-O-methyl-1L-chiro-Inositol|3-O-methyl-L-chiro-inositol http://purl.obolibrary.org/obo/CHEBI_37209 3_STAR
CHEBI:37210 biolink:ChemicalSubstance cis,cis-dodeca-3,6-dienoic acid Beilstein:1862617 phenio.json (3Z,6Z)-dodeca-3,6-dienoic acid http://purl.obolibrary.org/obo/CHEBI_37210 3_STAR
CHEBI:37211 biolink:ChemicalSubstance dodecadienoic acid A C12, polyunsaturated acid carrying two double bonds at any position. phenio.json C12:2|dodecadienoic acid|dodecadienoic acids http://purl.obolibrary.org/obo/CHEBI_37211 3_STAR
CHEBI:37212 biolink:ChemicalSubstance (2-trans,6-cis)-dodeca-2,6-dienoic acid CAS:94088-26-3|LIPID_MAPS_instance:LMFA01030231 phenio.json (2E,6Z)-dodeca-2,6-dienoic acid http://purl.obolibrary.org/obo/CHEBI_37212 3_STAR
CHEBI:37217 biolink:ChemicalSubstance titanium molecular entity phenio.json titanium compounds|titanium molecular entities|titanium molecular entity http://purl.obolibrary.org/obo/CHEBI_37217 3_STAR
CHEBI:3723 biolink:ChemicalSubstance citalopram A racemate comprising equimolar amounts of (R)-citalopram and its enantiomer, escitalopram. It is used as an antidepressant, although only escitalopram is active. CAS:59729-33-8|DrugBank:DB00215|HMDB:HMDB0005038|KEGG:C07572|KEGG:D07704|PMID:11336616|PMID:18213744|PMID:18219053|PMID:19747949|PMID:20825390|Patent:DE2657013|Patent:EP0171943|Patent:EP1506963|Patent:US4136193|Reaxys:1397373|Wikipedia:Citalopram phenio.json 1,3-dihydro-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-5-isobenzofurancarbonitrile|1-(3-(dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile|Cipram|Citadur|Citalopram|Lu 10-171|Nitalapram|citalopram|citalopramum|rac-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile http://purl.obolibrary.org/obo/CHEBI_3723 3_STAR
CHEBI:37237 biolink:ChemicalSubstance elemental molybdenum phenio.json http://purl.obolibrary.org/obo/CHEBI_37237 3_STAR
CHEBI:37239 biolink:ChemicalSubstance molybdenum cation phenio.json molybdenum cation|molybdenum cations http://purl.obolibrary.org/obo/CHEBI_37239 3_STAR
CHEBI:37240 biolink:ChemicalSubstance adenosine 3',5'-bisphosphate phenio.json adenosine 3',5'-bisphosphates http://purl.obolibrary.org/obo/CHEBI_37240 3_STAR
CHEBI:37245 biolink:ChemicalSubstance (E)-3-methylglutaconic acid A dicarboxylic acid comprising (E)-glutaconic acid carrying a 3-methyl substituent. Reaxys:1722909 phenio.json (E)-3-methylpent-2-enedioic acid http://purl.obolibrary.org/obo/CHEBI_37245 3_STAR
CHEBI:37246 biolink:ChemicalSubstance elemental sodium phenio.json http://purl.obolibrary.org/obo/CHEBI_37246 3_STAR
CHEBI:37247 biolink:ChemicalSubstance elemental potassium phenio.json http://purl.obolibrary.org/obo/CHEBI_37247 3_STAR
CHEBI:37248 biolink:ChemicalSubstance 3-hydroxypalmitic acid A long-chain fatty acid that is the 3-hydroxy derivative of palmitic acid. Beilstein:1785129|CAS:2398-34-7|LIPID_MAPS_instance:LMFA01050188 phenio.json 3-hydroxyhexadecanoic acid|beta-hydroxyhexadecanoic acid|beta-hydroxypalmitic acid http://purl.obolibrary.org/obo/CHEBI_37248 3_STAR
CHEBI:37250 biolink:ChemicalSubstance (S)-3-hydroxypalmitic acid Beilstein:6478240 phenio.json (3S)-3-hydroxyhexadecanoic acid|(S)-beta-hydroxypalmitic acid http://purl.obolibrary.org/obo/CHEBI_37250 3_STAR
CHEBI:37251 biolink:ChemicalSubstance 3-oxopalmitic acid An oxo-fatty acid comprising palmitic acid having an oxo group at the 3-position; an intermediate in fatty acid biosynthesis. Beilstein:1787844|LIPID_MAPS_instance:LMFA01060051 phenio.json 3-keto palmitic acid|3-oxohexadecanoic acid http://purl.obolibrary.org/obo/CHEBI_37251 3_STAR
CHEBI:37252 biolink:ChemicalSubstance (E)-hexadec-2-enoic acid A hexadecenoic acid having a trans-double bond at the 2-position. HMDB:HMDB0010735|LIPID_MAPS_instance:LMFA01030054|MetaCyc:CPD-9768|PMID:5929358|Reaxys:1708187 phenio.json (2E)-hexadec-2-enoic acid|(2E)-hexadecenoic acid|(E)-2-hexadecenoic acid|2-palmitoleic acid|2-trans-hexadecenoic acid|Gaidic acid|t-16:1D2|t-2-hexadecenoic acid|trans-2-hexadecenoic acid|trans-Delta(2)-hexadecenoic acid|trans-hexadec-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_37252 3_STAR
CHEBI:37253 biolink:ChemicalSubstance elemental zinc phenio.json http://purl.obolibrary.org/obo/CHEBI_37253 3_STAR
CHEBI:37257 biolink:ChemicalSubstance phytanate A branched-chain saturated fatty acid anion that is the conjugate base of phytanic acid, arising from deprotonation of the carboxylic acid group. KEGG:C01607|PMID:5130448|Reaxys:3669982 phenio.json 3,7,11,15-tetramethylhexadecanoate|3,7,11,15-tetramethylpalmitate|phytanate anion http://purl.obolibrary.org/obo/CHEBI_37257 3_STAR
CHEBI:37258 biolink:ChemicalSubstance 2-hydroxyphytanic acid An alpha-hydroxy fatty acid formed from phytanic acid by bacterial cytochrome P450; and also formed in human peroxisomal disorders. CAS:14721-68-7|PMID:9375802|PMID:9930407 phenio.json 2-hydroxy-3,7,11,15-tetramethylhexadecanoic acid|alpha-Hydroxyphytanic acid|alpha-hydroxyphytanic acid http://purl.obolibrary.org/obo/CHEBI_37258 3_STAR
CHEBI:37259 biolink:ChemicalSubstance 3-oxopimelic acid An oxo dicarboxylic acid consisting of pimelic acid having a single oxo group at the 3-position. CAS:1608-78-2|Reaxys:1777790 phenio.json 3-Ketoheptanedioic acid|3-oxoheptanedioic acid http://purl.obolibrary.org/obo/CHEBI_37259 3_STAR
CHEBI:37260 biolink:ChemicalSubstance hept-2-enedioic acid Beilstein:1766602 phenio.json 2,3-didehydropimelic acid|hept-2-enedioic acid http://purl.obolibrary.org/obo/CHEBI_37260 3_STAR
CHEBI:37270 biolink:ChemicalSubstance 3-oxotetradecanoic acid A C14, long-chain fatty acid carrying an oxo- group at position 3. Beilstein:1782877|LIPID_MAPS_instance:LMFA01060099 phenio.json 3-oxomyristic acid|3-oxotetradecanoic acid http://purl.obolibrary.org/obo/CHEBI_37270 3_STAR
CHEBI:37271 biolink:ChemicalSubstance trans-2-tetradecenoic acid A 2-tetradecenoic acid having trans-configuration. LIPID_MAPS_instance:LMFA01030047|PMID:4557429|Reaxys:1935500 phenio.json (2E)-tetradec-2-enoic acid|(E)-2-tetradecenoic acid|(E)-tetradec-2-enoic acid|1-tridecenylcarboxylic acid|14:1, n-12 trans|C14:1, n-12 trans|acide trans-2-tetradecenoique|acido trans-2-tetradecenoico|trans-2-Tetradecensaeure|trans-2-tetradecenoic acid|trans-tetradec-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_37271 3_STAR
CHEBI:37276 biolink:ChemicalSubstance (1-hydroxycyclohexyl)acetic acid A 3-hydroxy monocarboxylic acid consisting of cyclohexane carrying carboxymethyl and hydroxy substituents both at the 1-position. Reaxys:2207501 phenio.json 1-hydroxycyclohexaneacetic acid http://purl.obolibrary.org/obo/CHEBI_37276 3_STAR
CHEBI:37288 biolink:ChemicalSubstance gadolinium trichloride CAS:10138-52-0|Gmelin:2240|MolBase:1286|PMID:28699288 phenio.json GdCl3|[GdCl3]|gadolinium chloride|gadolinium trichloride|gadolinium(3+) chloride|gadolinium(III) chloride http://purl.obolibrary.org/obo/CHEBI_37288 3_STAR
CHEBI:37290 biolink:ChemicalSubstance 1-(phosphoribosyl)imidazolecarboxamide phenio.json 1-(phosphoribosyl)imidazolecarboxamides http://purl.obolibrary.org/obo/CHEBI_37290 3_STAR
CHEBI:37292 biolink:ChemicalSubstance 1-(phosphoribosyl)imidazole phenio.json 1-(phosphoribosyl)imidazoles http://purl.obolibrary.org/obo/CHEBI_37292 3_STAR
CHEBI:37293 biolink:ChemicalSubstance 1-ribosylimidazole phenio.json 1-ribosylimidazoles http://purl.obolibrary.org/obo/CHEBI_37293 3_STAR
CHEBI:37296 biolink:ChemicalSubstance 1-alkyl-2-acyl-sn-glycerol 3-phosphate An acyl-sn-glycerol 3-phosphate that has the acyl group located at position 2 with an additional alkyl substituent at position 1. KEGG:C05977|LIPID_MAPS_class:LMGP1002 phenio.json 1-Alkyl-2-acyl-sn-glycero-3-phosphate|1-alkyl-2-acyl-sn-glycerol 3-phosphates http://purl.obolibrary.org/obo/CHEBI_37296 3_STAR
CHEBI:37316 biolink:ChemicalSubstance (E,E)-piperic acid A monocarboxylic acid that is (E)-penta-2,4-dienoic acid substituted by a 1,3-benzodioxol-5-yl group at position 5. It has been isolated from black pepper (Piper nigrum). CAS:136-72-1|HMDB:HMDB0033779|PMID:24289580|PMID:3564049|Reaxys:85624|Wikipedia:Piperic_acid phenio.json (2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid|Piperic acid (E,E)-form|trans,trans-piperinic acid http://purl.obolibrary.org/obo/CHEBI_37316 3_STAR
CHEBI:37318 biolink:ChemicalSubstance 2-oxopent-4-enoic acid Beilstein:1851398|CAS:20406-62-6 phenio.json 2-keto-4-pentenoic acid|2-oxo-4-pentenoic acid|2-oxopent-4-enoic acid http://purl.obolibrary.org/obo/CHEBI_37318 3_STAR
CHEBI:37319 biolink:ChemicalSubstance 2-hydroxypenta-2,4-dienoate The conjugate base of 2-hydroxypenta-2,4-dienoic acid. KEGG:C00596 phenio.json 2-Hydroxy-2,4-pentadienoate|2-Hydroxypenta-2,4-dienoate|2-hydroxypenta-2,4-dienoate http://purl.obolibrary.org/obo/CHEBI_37319 3_STAR
CHEBI:3732 biolink:ChemicalSubstance clarithromycin The 6-O-methyl ether of erythromycin A, clarithromycin is a macrolide antibiotic used in the treatment of respiratory-tract, skin and soft-tissue infections. It is also used to eradicate Helicobacter pylori in the treatment of peptic ulcer disease. It prevents bacteria from growing by interfering with their protein synthesis. CAS:81103-11-9|DrugBank:DB01211|Drug_Central:668|KEGG:C06912|KEGG:D00276|LINCS:LSM-5606|LIPID_MAPS_instance:LMPK04000014|PDBeChem:CTY|PMID:16387493|Patent:EP41355|Patent:US4331803|Reaxys:3581974 phenio.json 6-O-methylerythromycin|6-O-methylerythromycin A|CLA|CLARITHROMYCIN|Clarithromycin|O(6)-methylerythromycin|clarithromycin|clarithromycina|clarithromycine|clarithromycinum http://purl.obolibrary.org/obo/CHEBI_3732 3_STAR
CHEBI:37322 biolink:ChemicalSubstance penta-2,4-dienoate phenio.json 2,4-pentadienoate|penta-2,4-dienoate http://purl.obolibrary.org/obo/CHEBI_37322 3_STAR
CHEBI:37323 biolink:ChemicalSubstance 7,8-dimethylisoalloxazine A 7,8-dimethylbenzo[g]pteridine-2,4-dione that is isoalloxazine substituted by methyl groups at positions 7 and 8. PMID:16128574|Reaxys:539579 phenio.json 7,8-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione|dimethylisoalloxazine http://purl.obolibrary.org/obo/CHEBI_37323 3_STAR
CHEBI:37324 biolink:ChemicalSubstance 7,8-dimethylbenzo[g]pteridine-2,4-dione phenio.json 7,8-dimethylbenzo[g]pteridine-2,4-dione http://purl.obolibrary.org/obo/CHEBI_37324 3_STAR
CHEBI:37325 biolink:ChemicalSubstance alloxazine Beilstein:85819|CAS:490-59-5|LINCS:LSM-2889 phenio.json Alloxazin|alloxazine|benzo[g]pteridine-2,4(1H,3H)-dione http://purl.obolibrary.org/obo/CHEBI_37325 3_STAR
CHEBI:37326 biolink:ChemicalSubstance benzo[g]pteridine-2,4-dione phenio.json benzo[g]pteridine-2,4-dione http://purl.obolibrary.org/obo/CHEBI_37326 3_STAR
CHEBI:37327 biolink:ChemicalSubstance isoalloxazine Beilstein:991206 phenio.json benzo[g]pteridine-2,4(3H,10H)-dione http://purl.obolibrary.org/obo/CHEBI_37327 3_STAR
CHEBI:37328 biolink:ChemicalSubstance phosphatidylinositol bisphosphate phenio.json phosphatidylinositol bisphosphates http://purl.obolibrary.org/obo/CHEBI_37328 3_STAR
CHEBI:37329 biolink:ChemicalSubstance phosphatidylinositol 5-phosphate A phosphatidylinositol monophosphate carrying the phosphate group at the 5-position. PMID:17469822 phenio.json PI(5)P|PtdIns5P http://purl.obolibrary.org/obo/CHEBI_37329 3_STAR
CHEBI:37331 biolink:ChemicalSubstance (E)-penta-2,4-dienoic acid The (E)-isomer of penta-2,4-dienoic acid. Beilstein:1720083|LIPID_MAPS_instance:LMFA01030099 phenio.json (2E)-penta-2,4-dienoic acid|(E)-2,4-pentadienoic acid http://purl.obolibrary.org/obo/CHEBI_37331 3_STAR
CHEBI:37332 biolink:ChemicalSubstance tropane alkaloid phenio.json tropane alkaloids http://purl.obolibrary.org/obo/CHEBI_37332 3_STAR
CHEBI:37334 biolink:ChemicalSubstance diagnostic imaging agent A substance administered to enhance contrast in images of the inside of the body obtained using X-rays, gamma-rays, sound waves, radio waves (MRI), or radioactive particles in order to diagnose disease. phenio.json http://purl.obolibrary.org/obo/CHEBI_37334 3_STAR
CHEBI:37335 biolink:ChemicalSubstance MRI contrast agent phenio.json http://purl.obolibrary.org/obo/CHEBI_37335 1_STAR
CHEBI:37338 biolink:ChemicalSubstance radioopaque medium A substance having the property of absorbing, and therefore being opaque to, electromagnetic radiation, particularly X-rays. Wikipedia:Contrast_medium phenio.json contrast media|radiocontrast agent|radiocontrast agents|radioopaque media|radiopaque media|radiopaque medium http://purl.obolibrary.org/obo/CHEBI_37338 3_STAR
CHEBI:37371 biolink:ChemicalSubstance (S)-3-hydroxydecanoic acid Beilstein:1723418|LIPID_MAPS_instance:LMFA01050246 phenio.json (3S)-3-hydroxydecanoic acid http://purl.obolibrary.org/obo/CHEBI_37371 3_STAR
CHEBI:37373 biolink:ChemicalSubstance (S)-3-hydroxyisobutyric acid Beilstein:4654444|Beilstein:4654446|Beilstein:4654447|KEGG:C06001 phenio.json (2S)-3-hydroxy-2-methylpropanoic acid|(S)-3-hydroxy-2-methylpropanoic acid|(S)-3-hydroxy-2-methylpropionic acid http://purl.obolibrary.org/obo/CHEBI_37373 3_STAR
CHEBI:37374 biolink:ChemicalSubstance (S)-3-hydroxytetradecanoic acid A C14, long-chain hydroxy fatty acid and enantiomer of the biologically active (R)-3-hydroxytetradecanoic acid. Beilstein:4667647|CAS:35683-15-9|LIPID_MAPS_instance:LMFA01050323 phenio.json (3S)-3-hydroxytetradecanoic acid|(S)-3-hydroxymyristic acid|3S-hydroxy-tetradecanoic acid|C14:0 3(S)-OH|C14:0 3-OH|L-beta-hydroxymyristic acid http://purl.obolibrary.org/obo/CHEBI_37374 3_STAR
CHEBI:3738 biolink:ChemicalSubstance clemastine 2-[(2R)-1-Methylpyrrolidin-2-yl]ethanol in which the hydrogen of the hydroxy group is substituted by a 1-(4-chlorophenyl)-1-phenylethyl group (R configuration). An antihistamine with antimuscarinic and moderate sedative properties, it is used as its fumarate salt for the symptomatic relief of allergic conditions such as rhinitis, urticaria, conjunctivitis and in pruritic (severe itching) skin conditions. Beilstein:6486432|CAS:15686-51-8|DrugBank:DB00283|Drug_Central:671|KEGG:C06913|KEGG:D03535|LINCS:LSM-2655|PMID:18788725|Patent:GB942152|Wikipedia:Clemastine phenio.json (+)-(2R)-2-(2-(((R)-p-chloro-alpha-methyl-alpha-phenylbenzyl)oxy)ethyl)-1-methylpyrrolidine|(+)-(2R)-2-[2-[[(R)-p-chloro-alpha-methyl-alpha-phenylbenzyl]oxy]ethyl]-1-methylpyrrolidine|(2R)-2-{2-[(1R)-1-(4-chlorophenyl)-1-phenylethoxy]ethyl}-1-methylpyrrolidine|Clemastine|clemastina|clemastine|clemastinum http://purl.obolibrary.org/obo/CHEBI_3738 3_STAR
CHEBI:37384 biolink:ChemicalSubstance bismuth coordination entity phenio.json bismuth coordination compounds|bismuth coordination entities|bismuth coordination entity http://purl.obolibrary.org/obo/CHEBI_37384 3_STAR
CHEBI:37390 biolink:ChemicalSubstance azoxy compound An N-oxide of an azo compound of structure RN=N(+)(O(-))R. phenio.json azoxy compounds|compose azoxyque http://purl.obolibrary.org/obo/CHEBI_37390 3_STAR
CHEBI:37392 biolink:ChemicalSubstance ribonic acid phosphate phenio.json ribonic acid phosphates http://purl.obolibrary.org/obo/CHEBI_37392 3_STAR
CHEBI:37393 biolink:ChemicalSubstance 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate KEGG:C03892 phenio.json 1,2-Diacyl-sn-glycero-3-phospho-sn-glycerol 3'-phosphate|1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphates|Phosphatidylglycerophosphate http://purl.obolibrary.org/obo/CHEBI_37393 3_STAR
CHEBI:37395 biolink:ChemicalSubstance mucopolysaccharide Any of the group of polysaccharides composed of alternating units from uronic acids and glycosamines, and commonly partially esterified with sulfuric acid. KEGG:C05114 phenio.json Mucopolysaccharid|Mucopolysaccharide|Mukopolysaccharid|mucopolisacarido|mucopolisacaridos|mucopolysaccharides http://purl.obolibrary.org/obo/CHEBI_37395 3_STAR
CHEBI:37396 biolink:ChemicalSubstance proteoglycan A glycoprotein in which the carbohydrate units are polysaccharides that contain amino sugars. The protein is glycosylated by one or more (up to about 100) glycosaminoglycans. KEGG:C00866 phenio.json Proteoglycan|proteoglycans http://purl.obolibrary.org/obo/CHEBI_37396 3_STAR
CHEBI:37397 biolink:ChemicalSubstance chondroitin sulfate Any of a class of 10--60 kDa glycosaminoglycan sulfates, widely distributed in cartilage and other mammalian connective tissues. CAS:9007-28-7|KEGG:C00607|PMID:11514091|PMID:7538297 phenio.json Chondroitin sulfate|Chondroitinsulfat|chondroitin polysulfate|chondroitin sulfates|chondroitin sulfuric acid|chondroitin sulphate http://purl.obolibrary.org/obo/CHEBI_37397 3_STAR
CHEBI:37398 biolink:ChemicalSubstance nucleotide-aldonic acid phenio.json nucleotide-aldonic acids http://purl.obolibrary.org/obo/CHEBI_37398 3_STAR
CHEBI:37401 biolink:ChemicalSubstance 1,4,8,11-tetraazacyclotetradecane Beilstein:111811|CAS:295-37-4|Gmelin:4059 phenio.json 1,4,8,11-tetraazacyclo-tetradecane|1,4,8,11-tetraazacyclotetradecane|[14]aneN4|cyclam http://purl.obolibrary.org/obo/CHEBI_37401 3_STAR
CHEBI:37404 biolink:ChemicalSubstance elemental copper phenio.json http://purl.obolibrary.org/obo/CHEBI_37404 3_STAR
CHEBI:37407 biolink:ChemicalSubstance cyclic ether Any ether in which the oxygen atom forms part of a ring. phenio.json cyclic ether|cyclic ethers|epoxy compounds http://purl.obolibrary.org/obo/CHEBI_37407 3_STAR
CHEBI:37408 biolink:ChemicalSubstance crown ether Crown compounds containing only oxygen as coordinating atom. phenio.json crown ether|crown ethers http://purl.obolibrary.org/obo/CHEBI_37408 3_STAR
CHEBI:37409 biolink:ChemicalSubstance crown compound A macrocyclic polydentate compound, usually uncharged, in which three or more coordinating ring atoms are or may become suitably close for easy formation of chelate complexes with metal ions or other cationic species. phenio.json corona|coronand|coronands|couronne|crown|crown compounds http://purl.obolibrary.org/obo/CHEBI_37409 3_STAR
CHEBI:37411 biolink:ChemicalSubstance crown amine Crown compounds containing only nitrogen as coordinating atom. phenio.json crown amines|polyamine coronand|polyamine coronands http://purl.obolibrary.org/obo/CHEBI_37411 3_STAR
CHEBI:37412 biolink:ChemicalSubstance phosphoshikimic acid phenio.json phosphoshikimic acids http://purl.obolibrary.org/obo/CHEBI_37412 3_STAR
CHEBI:37413 biolink:ChemicalSubstance nucleoside triphosphate analogue phenio.json nucleoside triphosphate analogues http://purl.obolibrary.org/obo/CHEBI_37413 3_STAR
CHEBI:37415 biolink:ChemicalSubstance alpha-amanitin A heterodetic cyclic peptide consisting of eight amino acid residues and containing a thioether bridge between a cysteine and a tryptophan residue. It is found in a number of poisonous mushrooms, including Amanita phalloides (the death cap), Galerina marginata, and and Conocybe filaris. CAS:23109-05-9|KEGG:C08438|KNApSAcK:C00001516|PMID:109306|PMID:17525082|PMID:19556115|PMID:20529816|PMID:23763309|PMID:6208374|PMID:6630208|PMID:9093889|Reaxys:1071138|Wikipedia:Alpha-amanitin phenio.json 1,8-anhydro-S(1),C(2.5)-cyclo[L-cysteinyl-L-asparaginyl-trans-4-hydroxy-L-prolyl-(R)-4,5-dihydroxy-L-isoleucyl-6-hydroxy-L-tryptophylglycyl-L-isoleucylglycine] (R)-S(1)-oxide|alpha-Amanitin|alpha-Amanitine|alpha-Amatoxin http://purl.obolibrary.org/obo/CHEBI_37415 3_STAR
CHEBI:37416 biolink:ChemicalSubstance EC 2.7.7.6 (RNA polymerase) inhibitor An EC 2.7.7.* (nucleotidyltransferase) inhibitor that interferes with the action of RNA polymerase (EC 2.7.7.6). Wikipedia:RNA_polymerase phenio.json C RNA formation factors inhibitor|C RNA formation factors inhibitors|C ribonucleic acid formation factors inhibitor|C ribonucleic acid formation factors inhibitors|DNA-dependent RNA nucleotidyltransferase inhibitor|DNA-dependent RNA nucleotidyltransferase inhibitors|DNA-dependent RNA polymerase inhibitor|DNA-dependent RNA polymerase inhibitors|DNA-dependent ribonucleate nucleotidyltransferase inhibitor|DNA-dependent ribonucleate nucleotidyltransferase inhibitors|DNA-directed RNA polymerase inhibitor|DNA-directed RNA polymerase inhibitors|DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitor|DNA-directed nucleoside-triphosphate:RNA nucleotidyltransferase inhibitors|EC 2.7.7.6 (RNA polymerase) inhibitors|EC 2.7.7.6 inhibitor|EC 2.7.7.6 inhibitors|RNA nucleotidyltransferase (DNA-directed) inhibitor|RNA nucleotidyltransferase (DNA-directed) inhibitors|RNA nucleotidyltransferase inhibitor|RNA nucleotidyltransferase inhibitors|RNA polymerase (EC 2.7.7.6) inhibitor|RNA polymerase (EC 2.7.7.6) inhibitors|RNA polymerase I inhibitor|RNA polymerase I inhibitors|RNA polymerase II inhibitor|RNA polymerase II inhibitors|RNA polymerase III inhibitor|RNA polymerase III inhibitors|RNA polymerase inhibitor|RNA polymerase inhibitors|RNA transcriptase inhibitor|RNA transcriptase inhibitors|deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitor|deoxyribonucleic acid-dependent ribonucleic acid polymerase inhibitors|directed RNA polymerase inhibitor|nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitor|nucleoside-triphosphate:RNA nucleotidyltransferase (DNA-directed) inhibitors|ribonucleate nucleotidyltransferase inhibitor|ribonucleate nucleotidyltransferase inhibitors|ribonucleate polymerase inhibitor|ribonucleate polymerase inhibitors|ribonucleic acid nucleotidyltransferase inhibitor|ribonucleic acid nucleotidyltransferase inhibitors|ribonucleic acid polymerase inhibitor|ribonucleic acid polymerase inhibitors|ribonucleic acid transcriptase inhibitor|ribonucleic acid transcriptase inhibitors|ribonucleic polymerase inhibitor|ribonucleic polymerase inhibitors|ribonucleic transcriptase inhibitor|ribonucleic transcriptase inhibitors|transcriptase inhibitor|transcriptase inhibitors http://purl.obolibrary.org/obo/CHEBI_37416 3_STAR
CHEBI:37421 biolink:ChemicalSubstance carbohydrate lactone phenio.json carbohydrate lactones http://purl.obolibrary.org/obo/CHEBI_37421 3_STAR
CHEBI:37422 biolink:ChemicalSubstance arabinono-1,4-lactone phenio.json arabinono-1,4-lactone|arabinono-1,4-lactones http://purl.obolibrary.org/obo/CHEBI_37422 3_STAR
CHEBI:37424 biolink:ChemicalSubstance sterol 3-beta-D-glucoside Any beta-D-glucoside derived from a sterol. KEGG:C03641|MetaCyc:Sterol-3-beta-D-glucosides phenio.json Sterol 3-beta-D-glucoside|a sterol 3-beta-D-glucoside|sterol 3-beta-D-glucoside|sterol 3-beta-D-glucosides http://purl.obolibrary.org/obo/CHEBI_37424 3_STAR
CHEBI:37425 biolink:ChemicalSubstance L-galactonic acid A galactonic acid compound having L-configuration. KEGG:C15930|PDBeChem:2Q2|PMID:16101307|PMID:9111923|Patent:EP1543133|Patent:US2006166339|Patent:US2008176300|Patent:WO2004029264|Reaxys:1726062 phenio.json L-galactonic acid http://purl.obolibrary.org/obo/CHEBI_37425 3_STAR
CHEBI:37426 biolink:ChemicalSubstance aldarolactone A carbohydrate lactone resulting from the formal intramolecular condensation between a hydroxy group and one of the carboxy groups of an aldaric acid. phenio.json aldarolactones http://purl.obolibrary.org/obo/CHEBI_37426 3_STAR
CHEBI:37429 biolink:ChemicalSubstance aldonolactone phosphate phenio.json aldonolactone phosphates http://purl.obolibrary.org/obo/CHEBI_37429 3_STAR
CHEBI:3743 biolink:ChemicalSubstance clidinium The ester resulting from formal condensation of benzilic acid and 3-hydroxy-1-methyl-1-azoniabicyclo[2.2.2]octane. It is used, generally as the bromide, for the symptomatic treatment of peptic ulcer disease and also to help relieve abdominal or stomach spasms or cramps due to colicky abdominal pain, diverticulitis, and irritable bowel syndrome. Beilstein:8798002|CAS:7020-55-5|DrugBank:DB00771|KEGG:C07853 phenio.json 3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-methyl-1-azonia-bicyclo[2.2.2]octane|3-hydroxy-1-methylquinuclidinium benzilate ester|3-{[hydroxy(diphenyl)acetyl]oxy}-1-methyl-1-azoniabicyclo[2.2.2]octane|CLIDINIUM|Clidinium|N-methyl quinuclidinyl benzilate http://purl.obolibrary.org/obo/CHEBI_3743 3_STAR
CHEBI:37431 biolink:ChemicalSubstance uronolactone phenio.json uronolactones http://purl.obolibrary.org/obo/CHEBI_37431 3_STAR
CHEBI:37432 biolink:ChemicalSubstance mannonolactone phenio.json mannonolactones http://purl.obolibrary.org/obo/CHEBI_37432 3_STAR
CHEBI:37433 biolink:ChemicalSubstance gulonolactone phenio.json gulonolactones http://purl.obolibrary.org/obo/CHEBI_37433 3_STAR
CHEBI:37434 biolink:ChemicalSubstance ribonolactone phenio.json ribonolactones http://purl.obolibrary.org/obo/CHEBI_37434 3_STAR
CHEBI:37440 biolink:ChemicalSubstance 3-oxoadipic acid An oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position. CAS:689-31-6|HMDB:HMDB0000398|KEGG:C00846|LIPID_MAPS_instance:LMFA01170096|PMID:13211620|PMID:15421941|PMID:18933507|PMID:3220884|Reaxys:1775833 phenio.json 3-Keto-adipate|3-Oxoadipic acid|3-oxohexanedioic acid|beta-Ketoadipic acid|beta-Oxoadipic acid http://purl.obolibrary.org/obo/CHEBI_37440 3_STAR
CHEBI:37445 biolink:ChemicalSubstance folic acids A group of heterocyclic compounds based on the pteroic acid skeleton conjugated with one or more L-glutamic acid units. phenio.json folate|folates http://purl.obolibrary.org/obo/CHEBI_37445 3_STAR
CHEBI:37448 biolink:ChemicalSubstance 2-dehydro-3-deoxy-L-fuconate phenio.json 2-dehydro-3-deoxy-L-fuconate|3,6-dideoxy-L-threo-hex-2-ulosonate http://purl.obolibrary.org/obo/CHEBI_37448 3_STAR
CHEBI:37449 biolink:ChemicalSubstance 2-deoxy-alpha-D-glucoside Any 2-deoxy-D-glucoside having alpha-configuration about the anomeric centre. KEGG:C03573 phenio.json 2-Deoxy-alpha-D-glucoside|2-deoxy-alpha-D-arabino-hexosides|2-deoxy-alpha-D-glucosides|a 2-deoxy-alpha-D-glucoside http://purl.obolibrary.org/obo/CHEBI_37449 3_STAR
CHEBI:3745 biolink:ChemicalSubstance clindamycin A carbohydrate-containing antibiotic that is the semisynthetic derivative of lincomycin, a natural antibiotic. CAS:18323-44-9|DrugBank:DB01190|HMDB:HMDB0015321|KEGG:C06914|KEGG:C13684|KEGG:D00277|KEGG:D02132|PMID:11691576|PMID:18695329|PMID:24310902|Reaxys:5624049|Wikipedia:Clindamycin phenio.json 7(S)-Chloro-7-deoxylincomycin|7-CDL|Cleocin (TN)|Clindamycin|Methyl 7-chloro-6,7,8-trideoxy-6-(1-methyl-trans-4-propyl-L-2-pyrrolidinecarboxamido)-1-thio-L-threo-alpha-D-galacto-octopyranoside|methyl 7-chloro-6,7,8-trideoxy-6-({[(2S,4R)-1-methyl-4-propylpyrrolidin-2-yl]carbonyl}amino)-1-thio-D-glycero-alpha-D-galacto-octopyranoside http://purl.obolibrary.org/obo/CHEBI_3745 3_STAR
CHEBI:37453 biolink:ChemicalSubstance phenanthrenediol phenio.json phenanthrenediol http://purl.obolibrary.org/obo/CHEBI_37453 3_STAR
CHEBI:37455 biolink:ChemicalSubstance ribulose 5-phosphate A ribulose phosphate in which the phosphate group is attached at position 5. Wikipedia:Ribulose_5-phosphate phenio.json erythro-pentos-2-ulose 5-(dihydrogen phosphate)|ribulose 5-phosphates http://purl.obolibrary.org/obo/CHEBI_37455 3_STAR
CHEBI:3746 biolink:ChemicalSubstance clindamycin phosphate CAS:24729-96-2|Drug_Central:3909|KEGG:C11728|KEGG:D01073 phenio.json Clindamycin phosphate|cleocin phosphate|clindagel|clindamycin-2-phosphate http://purl.obolibrary.org/obo/CHEBI_3746 2_STAR
CHEBI:37462 biolink:ChemicalSubstance L-tagatose Any form of tagatose that has L-configuration. phenio.json L-tagatoses http://purl.obolibrary.org/obo/CHEBI_37462 3_STAR
CHEBI:37463 biolink:ChemicalSubstance ADP-D-ribose 2'-phosphate KEGG:C03246 phenio.json 2'-phosphoadenosine 5'-[3-(D-ribofuranosyl) dihydrogen diphosphate]|ADP-ribose 2'-phosphate|ADPribose 2'-phosphate|Adenosine diphosphate ribose http://purl.obolibrary.org/obo/CHEBI_37463 3_STAR
CHEBI:37464 biolink:ChemicalSubstance 3,4-dihydrophenanthrene-3,4-diol CAS:20057-09-4 phenio.json 3,4-dihydro-3,4-phenanthrenediol|3,4-dihydromorphol|3,4-dihydrophenanthrene-3,4-diol|phenanthrene-3,4-dihydrodiol http://purl.obolibrary.org/obo/CHEBI_37464 3_STAR
CHEBI:37465 biolink:ChemicalSubstance (3R,4S)-3,4-dihydrophenanthrene-3,4-diol Beilstein:8143929 phenio.json (3R,4S)-3,4-dihydrophenanthrene-3,4-diol http://purl.obolibrary.org/obo/CHEBI_37465 3_STAR
CHEBI:37466 biolink:ChemicalSubstance O-phosphocorrinoid phenio.json O-phosphocorrinoids http://purl.obolibrary.org/obo/CHEBI_37466 3_STAR
CHEBI:37469 biolink:ChemicalSubstance 9,10-dihydrophenanthrene-9,10-diol Beilstein:2332681|Gmelin:566794 phenio.json 9,10-dihydrophenanthrene-9,10-diol http://purl.obolibrary.org/obo/CHEBI_37469 3_STAR
CHEBI:37470 biolink:ChemicalSubstance trans-9,10-dihydrophenanthrene-9,10-diol Beilstein:3204737|CAS:572-41-8 phenio.json (E)-9,10-dihydro-9,10-phenanthrenediol|(E)-9,10-dihydroxy-9,10-dihydrophenanthrene|rel-(9R,10R)-9,10-dihydrophenanthrene-9,10-diol http://purl.obolibrary.org/obo/CHEBI_37470 3_STAR
CHEBI:37480 biolink:ChemicalSubstance D-galactopyranose 1-phosphate A D-galactose phosphate that consists of D-galactopyranose having a single phospho substituent located at the 1-position. It is an intermediate obtained during the the galactose metabolism. Beilstein:6371662|CAS:2255-14-3|KEGG:C03384|KNApSAcK:C00007391|PMID:17709092|PMID:4358045|Reaxys:6371662|Wikipedia:Galactose_1-phosphate phenio.json 1-O-phosphono-D-galactopyranose|D-Galactose 1-phosphate http://purl.obolibrary.org/obo/CHEBI_37480 3_STAR
CHEBI:37481 biolink:ChemicalSubstance amidoalkyl phosphate phenio.json amidoalkyl phosphates http://purl.obolibrary.org/obo/CHEBI_37481 3_STAR
CHEBI:37483 biolink:ChemicalSubstance monohydroxyanthraquinone An anthraquinone in which the anthraquinone moiety is substituted by a single hydroxy group. phenio.json monohydroxy-9,10-anthraquinone|monohydroxy-9,10-anthraquinones|monohydroxyanthracene-9,10-dione|monohydroxyanthracene-9,10-diones|monohydroxyanthraquinones http://purl.obolibrary.org/obo/CHEBI_37483 3_STAR
CHEBI:37484 biolink:ChemicalSubstance dihydroxyanthraquinone CAS:1322-60-7 phenio.json dihydroxy-9,10-anthracenedione|dihydroxy-9,10-anthraquinone|dihydroxyanthracene-9,10-dione|dihydroxyanthraquinone http://purl.obolibrary.org/obo/CHEBI_37484 3_STAR
CHEBI:37485 biolink:ChemicalSubstance hydroxyanthraquinones An anthraquinone substituted with one or more hydroxy groups. phenio.json http://purl.obolibrary.org/obo/CHEBI_37485 3_STAR
CHEBI:37488 biolink:ChemicalSubstance trihydroxyanthraquinone A member of the class of hydroxyanthraquinones carrying three hydroxy substituents. Wikipedia:Trihydroxyanthraquinone phenio.json trihydroxy-9,10-anthraquinones http://purl.obolibrary.org/obo/CHEBI_37488 3_STAR
CHEBI:3749 biolink:ChemicalSubstance clofazimine 3-Isopropylimino-3,5-dihydro-phenazine in which the hydrogen at position 5 is substituted substituted by a 4-chlorophenyl group, and that at position 2 is substituted by a (4-chlorophenyl)amino group. A dark red crystalline solid, clofazimine is an antimycobacterial and is one of the main drugs used for the treatment of multi-bacillary leprosy. However, it can cause red/brown discolouration of the skin, so other treatments are often preferred in light-skinned patients. Beilstein:8168151|CAS:2030-63-9|DrugBank:DB00845|KEGG:C06915|KEGG:D00278|LINCS:LSM-5669|PMID:17210775|PMID:3279207|Patent:US2948726 phenio.json (4-Chloro-phenyl)-[5-(4-chloro-phenyl)-3-isopropylimino-3,5-dihydro-phenazin-2-yl]-amine|3-(p-chloranilino)-10-(p-chlorophenyl)-2,10-dihydro-2-(isopropylimino)-phenazine|3-(p-chloranilino)-10-(p-chlorphenyl)-2,10-dihydro-2-(isopropylimino)-phenazin|N,5-bis(4-chlorophenyl)-3-(isopropylimino)-3,5-dihydrophenazin-2-amine|N,5-bis(4-chlorophenyl)-3-(propan-2-ylimino)-3,5-dihydrophenazin-2-amine|clofazimina|clofazimine|clofaziminum http://purl.obolibrary.org/obo/CHEBI_3749 3_STAR
CHEBI:37494 biolink:ChemicalSubstance alkenyl phosphate phenio.json alkenyl phosphates http://purl.obolibrary.org/obo/CHEBI_37494 3_STAR
CHEBI:37496 biolink:ChemicalSubstance tetrahydroxyanthraquinone phenio.json tetrahydroxy-9,10-anthraquinone|tetrahydroxyanthracene-9,10-dione http://purl.obolibrary.org/obo/CHEBI_37496 3_STAR
CHEBI:3750 biolink:ChemicalSubstance clofibrate The ethyl ester of clofibric acid. Beilstein:1913459|CAS:637-07-0|Chemspider:2694|DrugBank:DB00636|Drug_Central:694|HMDB:HMDB0014774|KEGG:C06916|KEGG:D00279|LINCS:LSM-2996|PMCID:PMC7258001|PMCID:PMC8265473|PMID:23603800|PMID:26949064|PMID:27354598|PMID:28248971|PMID:28485676|PMID:28512725|PMID:28779283|PMID:29059162|PMID:30642049|PMID:33070841|PMID:33893992|Patent:GB860303|Patent:US3262850|Wikipedia:Clofibrate phenio.json 2-(4-Chlorophenoxy)-2-methylpropanoic acid ethyl ester|2-(p-Chlorophenoxy)-2-methylpropionic acid ethyl ester|Atromid-S|Clofibrate|ELPI|EPIB|Ethyl 2-(p-chlorophenoxy)isobutyrate|Ethyl chlorophenoxyisobutyrate|Ethyl clofibrate|Lipofacton|Liprin|alpha-(p-Chlorophenoxy)isobutyric acid, ethyl ester|alpha-p-Chlorophenoxyisobutyryl ethyl ester|clofibrate|clofibrato|clofibratum|ethyl 2-(4-chlorophenoxy)-2-methylpropanoate http://purl.obolibrary.org/obo/CHEBI_3750 3_STAR
CHEBI:37505 biolink:ChemicalSubstance anthracenetriol A polyphenol that is anthracene carrying three hydroxy substituents. phenio.json anthracenetriol|anthracenetriols http://purl.obolibrary.org/obo/CHEBI_37505 3_STAR
CHEBI:37507 biolink:ChemicalSubstance anthracenol A member of the class of anthracenes in which the anthracene ring system is substituted by one or more hydroxy groups at unspecified positions. phenio.json anthracenols|hydroxyanthracenes http://purl.obolibrary.org/obo/CHEBI_37507 3_STAR
CHEBI:37510 biolink:ChemicalSubstance anthralin An anthracene compound derived by the substitution of -OH groups for hydrogen at C-1 and C-8, and with an oxo group at C-9. CAS:1143-38-0|Drug_Central:226|KEGG:C06831|KEGG:D00233|LINCS:LSM-6530|PMID:1640019|PMID:22335232|PMID:22370944|PMID:22931516|PMID:23079823|PMID:23088318|PMID:23488784|PMID:23594093|Reaxys:2054360|Wikipedia:Dithranol phenio.json 1,8-dihydroxy-9(10H)-anthracenone|1,8-dihydroxy-9-anthrone|1,8-dihydroxyanthracen-9(10H)-one|1,8-dihydroxyanthrone|Anthralin|dithranol http://purl.obolibrary.org/obo/CHEBI_37510 3_STAR
CHEBI:37511 biolink:ChemicalSubstance thiophosphate phenio.json http://purl.obolibrary.org/obo/CHEBI_37511 1_STAR
CHEBI:37512 biolink:ChemicalSubstance organic thiophosphate phenio.json organic thiophosphates http://purl.obolibrary.org/obo/CHEBI_37512 3_STAR
CHEBI:37515 biolink:ChemicalSubstance D-fructofuranose 1-phosphate The furanose form of D-fructose 1-phosphate. CAS:15978-08-2|FooDB:FDB022410|HMDB:HMDB0001076|KEGG:C01094|KNApSAcK:C00019676|PMID:35385296|Reaxys:2508153 phenio.json 1-O-phosphono-D-fructofuranose|D-fructofuranose 1-(dihydrogen phosphate)|Fructose 1-phosphate(furanose) http://purl.obolibrary.org/obo/CHEBI_37515 3_STAR
CHEBI:37519 biolink:ChemicalSubstance cyclohepta-1,3,5-triene A cycloheptatriene with unsaturation at positions 1, 3 and 5. CAS:544-25-2|Gmelin:1943|PMID:23764564|PMID:24011338|Patent:WO2011123198|Reaxys:506066|Wikipedia:Cycloheptatriene phenio.json 1,3,5-cycloheptatriene|1H-[7]annulene|Cycloheptatrien|Tropyliden|Zykloheptatrien|cyclohepta-1,3,5-triene|cycloheptatriene|tropilidene|tropilidine http://purl.obolibrary.org/obo/CHEBI_37519 3_STAR
CHEBI:3752 biolink:ChemicalSubstance clomiphene Beilstein:2302126|CAS:911-45-5|DrugBank:DB00882|Drug_Central:700|KEGG:C06917|KEGG:D07726|LINCS:LSM-2072|Patent:US2914563 phenio.json 2-(4-(2-chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine|2-(p-(2-chloro-1,2-diphenylvinyl)phenoxy)triethylamine|2-(p-(beta-chloro-alpha-phenylstyryl)phenoxy)triethylamine|2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine|Clomifene|Clomiphene|clomifene|clomifeno|clomifenum http://purl.obolibrary.org/obo/CHEBI_3752 3_STAR
CHEBI:37525 biolink:ChemicalSubstance O-phospho-L-threonine A L-threonine derivative phosphorylated at the side-chain hydroxy function. CAS:1114-81-4|KEGG:C12147|PDBeChem:TPO|PMID:11782793|PMID:15022197|PMID:15745821|PMID:16289358|PMID:16445015|PMID:16534760|PMID:17087151|PMID:21440422|PMID:7541792|PMID:8756262|Reaxys:1727078 phenio.json (2S,3R)-2-amino-3-hydroxybutanoic acid 3-phosphate|L-Threonine O-3-phosphate|L-Threonine phosphate|O-phospho-L-threonine|O-phosphono-L-threonine|O3-phosphothreonine|Phosphothreonine|Threoninium dihydrogen phosphate|threonine phosphate ester http://purl.obolibrary.org/obo/CHEBI_37525 3_STAR
CHEBI:37526 biolink:ChemicalSubstance tigliane CAS:67707-87-3 phenio.json (1aS,1bR,3S,4aS,6R,7aR,7bR,8R,9aR)-1,1,3,6,8-pentamethyltetradecahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulene|Tiglian|tigliane http://purl.obolibrary.org/obo/CHEBI_37526 3_STAR
CHEBI:37527 biolink:ChemicalSubstance acid An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid). KEGG:C00174 phenio.json Acid|Saeure|Saeuren|acid|acide|acido|acids http://purl.obolibrary.org/obo/CHEBI_37527 3_STAR
CHEBI:37528 biolink:ChemicalSubstance sn-glycerol 1-phosphates phenio.json http://purl.obolibrary.org/obo/CHEBI_37528 3_STAR
CHEBI:37529 biolink:ChemicalSubstance cyclohexenecarboxylate ester phenio.json cyclohexenecarboxylate esters http://purl.obolibrary.org/obo/CHEBI_37529 3_STAR
CHEBI:37530 biolink:ChemicalSubstance phosphatidylinositol 4-phosphate A phosphatidylinositol monophosphate carrying the phosphate group at the 4-position. PMID:16341241|PMID:18785997 phenio.json PI(4)P|PtdIns4P http://purl.obolibrary.org/obo/CHEBI_37530 3_STAR
CHEBI:37531 biolink:ChemicalSubstance polyprenyl diphosphate KEGG:C05847 phenio.json polyprenol diphosphate|polyprenol diphosphates http://purl.obolibrary.org/obo/CHEBI_37531 3_STAR
CHEBI:37532 biolink:ChemicalSubstance phorbol ester Esters of phorbol, originally found in croton oil (from Croton tiglium, of the family Euphorbiaceae). A number of phorbol esters possess activity as tumour promoters and activate the mechanisms associated with cell growth. Some of these are used in experiments as activators of protein kinase C. PMID:17661218|PMID:19944127|PMID:27007372 phenio.json phorbol ester http://purl.obolibrary.org/obo/CHEBI_37532 3_STAR
CHEBI:37533 biolink:ChemicalSubstance azo compound Derivatives of diazene with the general structure R-N=N-R'. phenio.json azo compounds http://purl.obolibrary.org/obo/CHEBI_37533 3_STAR
CHEBI:37534 biolink:ChemicalSubstance ribitol 5-phosphate phenio.json http://purl.obolibrary.org/obo/CHEBI_37534 1_STAR
CHEBI:37537 biolink:ChemicalSubstance phorbol 13-acetate 12-myristate A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted into the corresponding acetate and myristate esters. It is a major active constituent of the seed oil of Croton tiglium. It has been used as a tumour promoting agent for skin carcinogenesis in rodents and is associated with increased cell proliferation of malignant cells. However its function is controversial since a decrease in cell proliferation has also been observed in several cancer cell types. Beilstein:2407201|CAS:16561-29-8|Chemspider:25977|HMDB:HMDB0244744|KEGG:C05151|KNApSAcK:C00003491|LINCS:LSM-25630|LIPID_MAPS_instance:LMPR0104330002|MetaCyc:CPD-19636|PMCID:PMC6898309|PMID:12421969|PMID:15721302|PMID:15822940|PMID:16740769|PMID:18541361|PMID:20333698|PMID:22696070|PMID:25649981|PMID:25918710|PMID:26826276|PMID:26894087|PMID:27315825|PMID:27676154|PMID:2866623|PMID:29291631|PMID:29385060|PMID:29538403|PMID:29872754|PMID:29933732|PMID:30075941|PMID:30248704|PMID:30254419|PMID:30663866|PMID:31019367|PMID:31194000|PMID:31256364|PMID:31437790|PMID:31904021|PMID:32140039|PMID:33254440|PMID:33268675|PMID:33291656|PMID:34234780|PMID:34645824|PMID:34890758|PMID:35259405|PMID:35457039|PMID:3593207|PMID:36419617|PMID:36618426|PMID:36671729|PMID:37114178|PMID:37588597|PMID:38004599|PMID:38474055|Wikipedia:12-O-Tetradecanoylphorbol-13-acetate phenio.json (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl tetradecanoate|12-O-tetradecanoylphorbol 13-acetate|12-tetradecanoylphorbol 13-acetate|PMA|TPA|phorbol 12-myristate 13-acetate|phorbol 12-tetradecanoate 13-acetate|phorbol-12-myristate-13-acetate|tetradecanoylphorbol acetate http://purl.obolibrary.org/obo/CHEBI_37537 3_STAR
CHEBI:37545 biolink:ChemicalSubstance altrarate(2-) phenio.json altrarate|rel-(2R,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate http://purl.obolibrary.org/obo/CHEBI_37545 3_STAR
CHEBI:37546 biolink:ChemicalSubstance D-altrarate(2-) Beilstein:6571108 phenio.json (2S,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate|D-altrarate http://purl.obolibrary.org/obo/CHEBI_37546 3_STAR
CHEBI:37547 biolink:ChemicalSubstance L-altrarate(2-) The L-enantiomer of altrarate(2-). phenio.json (2R,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate|(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyhexanedioate|L-altrarate http://purl.obolibrary.org/obo/CHEBI_37547 3_STAR
CHEBI:37548 biolink:ChemicalSubstance phenyl phosphate An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol. CAS:701-64-4|DrugBank:DB03298|Gmelin:185188|KEGG:C02734|PDBeChem:HPS|PMID:21242086|PMID:22827777|PMID:23542237|PMID:7390970|Reaxys:1910238|UM-BBD_compID:c0130 phenio.json Phenolic phosphate|Phenylphosphate|Phenylphosphoric Acid|Phosphoric acid, monophenyl ester|monophenylphosphate|phenyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_37548 3_STAR
CHEBI:37549 biolink:ChemicalSubstance glycoside phosphate phenio.json glycoside phosphates http://purl.obolibrary.org/obo/CHEBI_37549 3_STAR
CHEBI:37550 biolink:ChemicalSubstance sphingosine 1-phosphate A phosphosphingolipid that consists of sphingosine having a phospho group attached at position 1 CAS:26993-30-6|HMDB:HMDB0000277|KEGG:C06124|LIPID_MAPS_instance:LMSP01050001|PMID:11278407|PMID:11324700|PMID:11331099|PMID:11418470|PMID:11470796|PMID:11739995|PMID:12039947|PMID:12062172|PMID:12069819|PMID:12069830|PMID:12401202|PMID:12509810|PMID:12586615|PMID:12730100|PMID:12742827|PMID:12746430|PMID:12778803|PMID:12833634|PMID:12963123|PMID:12963813|PMID:15044318|PMID:15143482|PMID:15158755|PMID:15258919|PMID:15292266|PMID:15317688|PMID:15326035|PMID:15354862|PMID:15476260|PMID:15567060|PMID:15696050|PMID:15728255|PMID:15734735|PMID:15761190|PMID:15778280|PMID:15992170|PMID:16046448|PMID:16129068|PMID:16162874|PMID:16243846|PMID:16322129|PMID:16339142|PMID:16434032|PMID:16554657|PMID:16913663|PMID:16940153|PMID:16956968|PMID:17098744|PMID:17158356|PMID:17220911|PMID:17308123|PMID:17361098|PMID:17374154|PMID:17391120|PMID:17409372|PMID:17517398|PMID:17561264|PMID:17904858|PMID:18155002|PMID:18387885|PMID:18502612|PMID:18541717|PMID:18787560|PMID:18973762|PMID:19081473|PMID:19082500|PMID:19268560|PMID:19293152|PMID:19350109|PMID:19423865|PMID:19556602|PMID:19620297|PMID:19636535|PMID:19662499|PMID:19808013|PMID:19815502|Reaxys:5877213|Wikipedia:Sphingosine-1-phosphate phenio.json (2-amino-3-hydroxy-octadec-4-enoxy)phosphonic acid|(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate|(2S,3R,4E)-2-amino-4-octadecene-1,3-diol 1-(dihydrogen phosphate)|C18-Sphingosine 1-phosphate|D-erythro-sphingosine 1-phosphate|S1P|Sphing-4-enine 1-phosphate|Sphingosine 1-phosphate|Sphingosine 1-phosphic acid|sphingosine-1-phosphate http://purl.obolibrary.org/obo/CHEBI_37550 3_STAR
CHEBI:37554 biolink:ChemicalSubstance fatty acyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any fatty acid. PMID:11524729|PMID:20442897|PMID:2079609 phenio.json Fatty acyl CoA|fatty acyl-coenzyme A|fatty acyl-coenzyme As http://purl.obolibrary.org/obo/CHEBI_37554 3_STAR
CHEBI:37555 biolink:ChemicalSubstance omega-carboxyacyl-CoA An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with one of the carboxy groups of any alpha,omega-dicarboxylic acid. KEGG:C03188 phenio.json omega-Carboxyacyl-CoA|omega-carboxyacyl-CoA http://purl.obolibrary.org/obo/CHEBI_37555 3_STAR
CHEBI:37558 biolink:ChemicalSubstance aryl dialkyl phosphate Any aryl phosphate having a single aryl substituent and two alkyl substituents. KEGG:C03254 phenio.json an aryl dialkyl phosphate|aryl dialkyl phosphates http://purl.obolibrary.org/obo/CHEBI_37558 3_STAR
CHEBI:3756 biolink:ChemicalSubstance clonazepam 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all types of epilepsy and seizures, as well as myoclonus and associated abnormal movements, and panic disorders. However, its use can be limited by the development of tolerance and by sedation. Beilstein:759557|CAS:1622-61-3|DrugBank:DB01068|Drug_Central:703|KEGG:D00280|PMID:10633040|PMID:12213069|PMID:12873507|Patent:US3116203|Patent:US3121076|Patent:US3335181|Wikipedia:Clonazepam phenio.json 1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benzodiazepin-2-one|5-(2-Chloro-phenyl)-7-nitro-1,3-dihydro-benzo[e][1,4]diazepin-2-one|5-(2-chlorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one|5-(2-chlorophenyl)-7-nitro-1H-benzo[e][1,4]diazepin-2(3H)-one|5-(o-chlorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one|CLONAZEPAM|clonazepam|clonazepamum http://purl.obolibrary.org/obo/CHEBI_3756 3_STAR
CHEBI:37563 biolink:ChemicalSubstance CTP(4-) A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of CTP; major species present at pH 7.3. Beilstein:4732530|Gmelin:1265115 phenio.json CTP|CTP(4-)|ctp|cytidine 5'-triphosphate(4-) http://purl.obolibrary.org/obo/CHEBI_37563 3_STAR
CHEBI:37565 biolink:ChemicalSubstance GTP(4-) A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of GTP; major species present at pH 7.3. Beilstein:5211792|Gmelin:1264613 phenio.json GTP|gtp|guanosine 5'-triphosphate(4-) http://purl.obolibrary.org/obo/CHEBI_37565 3_STAR
CHEBI:37568 biolink:ChemicalSubstance dTTP(4-) A 2'-deoxyribonucleoside 5'-triphosphate(4-) obtained by deprotonation of the four triphosphate OH groups of dTTP; major species at pH 7.3. Beilstein:4628471|MetaCyc:TTP phenio.json 2'-deoxythymidine 5'-triphosphate tetraanion|5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)thymidine|dTTP|dTTP tetraanion|thymidine 5'-triphosphate tetraanion|thymidine 5'-triphosphate(4-) http://purl.obolibrary.org/obo/CHEBI_37568 3_STAR
CHEBI:37569 biolink:ChemicalSubstance (+)-abscisate An abscisic acid anion derived from (+)-abscisic acid. KEGG:C06082 phenio.json (+)-(S)-ABA(1-)|(+)-Abscisate|(+)-S-ABA(1-)|(2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoate|(7E,9Z)-(6S)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oate|2-cis-(+)-abscisate http://purl.obolibrary.org/obo/CHEBI_37569 3_STAR
CHEBI:37573 biolink:ChemicalSubstance (2R)-DIMBOA glucoside KNApSAcK:C00001538|PMID:16222814 phenio.json (2R)-2-beta-D-Glucopyranosyloxy-4-hydroxy-7-methoxy-(2H)-1,4-benzoxazin-3(4H)-one|(2R)-4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl beta-D-glucopyranoside|DIMBOA beta-D-glucoside|DIMBOA glucoside http://purl.obolibrary.org/obo/CHEBI_37573 3_STAR
CHEBI:37574 biolink:ChemicalSubstance thiamine(1+) monophosphate(1-) An ammonium betaine that is the conjugate base of thiamine(1+) monophosphate arising from the deprotonation of one of the phosphate hydroxy groups. Beilstein:3917125|CAS:495-23-8|Gmelin:1056035 phenio.json 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl hydrogen phosphate|3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium inner salt|THIAMIN PHOSPHATE http://purl.obolibrary.org/obo/CHEBI_37574 3_STAR
CHEBI:37575 biolink:ChemicalSubstance thiamine(1+) monophosphate(2-) An organophosphate oxoanion that is the conjugate base of thiamine(1+) monophosphate(1-), arising from the deprotonation of the phosphate group. Major microspecies at pH 7.3. Beilstein:7232643|MetaCyc:THIAMINE-P phenio.json 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl phosphate|thiamine phosphate http://purl.obolibrary.org/obo/CHEBI_37575 3_STAR
CHEBI:37576 biolink:ChemicalSubstance gallate ester A benzoate ester that is any ester resulting from the formal condensation of the carboxy group of gallic acid (3,4,5-trihydroxybenzoic acid) with an alcoholic or phenolic hydroxy group. phenio.json 3,4,5-trihydroxybenzoate ester|3,4,5-trihydroxybenzoate esters|gallate ester|gallate esters http://purl.obolibrary.org/obo/CHEBI_37576 3_STAR
CHEBI:37577 biolink:ChemicalSubstance heteroatomic molecular entity A molecular entity consisting of two or more chemical elements. phenio.json chemical compound|heteroatomic molecular entities http://purl.obolibrary.org/obo/CHEBI_37577 3_STAR
CHEBI:37578 biolink:ChemicalSubstance halide Any heteroatomic molecular entity that is a chemical compound of halogen with other chemical elements. Wikipedia:Halide phenio.json halides http://purl.obolibrary.org/obo/CHEBI_37578 3_STAR
CHEBI:37579 biolink:ChemicalSubstance acyl halide A compound consisting of an acyl group bonded to halogen. phenio.json acid halide|acyl halide http://purl.obolibrary.org/obo/CHEBI_37579 3_STAR
CHEBI:37581 biolink:ChemicalSubstance gamma-lactone A lactone having a five-membered lactone ring. PMID:18789684 phenio.json 1,4-Lactone|1,4-lactones|a 1,4-lactone|butyrolactones|gamma-Laktone|gamma-lactona|gamma-lactonas|gamma-lactones http://purl.obolibrary.org/obo/CHEBI_37581 3_STAR
CHEBI:37584 biolink:ChemicalSubstance nicotinic acid dinucleotide phenio.json nicotinic acid dinucleotides http://purl.obolibrary.org/obo/CHEBI_37584 3_STAR
CHEBI:37586 biolink:ChemicalSubstance sodium phosphate CAS:7632-05-5|Wikipedia:Sodium_phosphates phenio.json phosphoric acid, sodium salt|sodium orthophosphate|sodium phosphate|sodium phosphates|sodium salt of phosphoric acid http://purl.obolibrary.org/obo/CHEBI_37586 3_STAR
CHEBI:37588 biolink:ChemicalSubstance phosphonic acid derivative phenio.json phosphonic acid derivatives http://purl.obolibrary.org/obo/CHEBI_37588 3_STAR
CHEBI:37592 biolink:ChemicalSubstance organic phosphonate phenio.json organic phosphonates http://purl.obolibrary.org/obo/CHEBI_37592 3_STAR
CHEBI:37598 biolink:ChemicalSubstance nitrogen mustard Compounds having two beta-haloalkyl groups bound to a nitrogen atom, as in (X-CH2-CH2)2NR. Wikipedia:Nitrogen_mustard phenio.json nitrogen mustard compound|nitrogen mustard compounds|nitrogen mustards http://purl.obolibrary.org/obo/CHEBI_37598 3_STAR
CHEBI:37602 biolink:ChemicalSubstance allenes Any olefinic compound having two double bonds from one carbon atom to two others. phenio.json R2C=C=CR2|allenes http://purl.obolibrary.org/obo/CHEBI_37602 3_STAR
CHEBI:37604 biolink:ChemicalSubstance cis-octadec-9-ene Beilstein:1721559|CAS:1779-13-1 phenio.json (9Z)-octadec-9-ene|(Z)-9-octadecene|cis-9-octadecene http://purl.obolibrary.org/obo/CHEBI_37604 3_STAR
CHEBI:37605 biolink:ChemicalSubstance octadec-9-ene Beilstein:8330440 phenio.json octadec-9-ene http://purl.obolibrary.org/obo/CHEBI_37605 3_STAR
CHEBI:37606 biolink:ChemicalSubstance octadecene An alkene that is octadecane containing one double bond at unspecified position. phenio.json octadecene http://purl.obolibrary.org/obo/CHEBI_37606 3_STAR
CHEBI:37607 biolink:ChemicalSubstance trans-octadec-9-ene Beilstein:1721558|CAS:7206-25-9 phenio.json (9E)-9-octadecene|(9E)-octadec-9-ene|(E)-9-octadecene|trans-9-octadecene http://purl.obolibrary.org/obo/CHEBI_37607 3_STAR
CHEBI:3761 biolink:ChemicalSubstance clorazepic acid A 1,4-benzodiazepinone in which the oxo group is at position 2, and which is substituted at positions 3, 5, and 7 by carboxy, phenyl and chloro groups, respectively. Beilstein:757058|CAS:23887-31-2|DrugBank:DB00628|Drug_Central:711|KEGG:C06921|Patent:NL6507637|Patent:US3516988|Wikipedia:Clorazepate phenio.json 7-chloro-2,3-dihydro-2,2-dihydroxy-5-phenyl-1H-1,4-benzodiazepine-3-carboxylic acid|7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid|Clorazepate|Clorazepic acid http://purl.obolibrary.org/obo/CHEBI_3761 3_STAR
CHEBI:37610 biolink:ChemicalSubstance cyclohexa-1,3-diene Beilstein:506024|CAS:592-57-4|Gmelin:1657 phenio.json 1,2-dihydrobenzene|1,3-cyclohexadiene|cyclohexa-1,3-diene http://purl.obolibrary.org/obo/CHEBI_37610 3_STAR
CHEBI:37613 biolink:ChemicalSubstance cyclohexadiene phenio.json cyclohexadiene|cyclohexadienes|dihydrobenzene|dihydrobenzenes http://purl.obolibrary.org/obo/CHEBI_37613 3_STAR
CHEBI:37614 biolink:ChemicalSubstance alkenyl group A monovalent group -CnH2n-1 formed from an alkene by removal of one hydrogen atoms from any carbon atom. phenio.json alkenyl groups http://purl.obolibrary.org/obo/CHEBI_37614 3_STAR
CHEBI:37617 biolink:ChemicalSubstance aldehydo-L-galactose Beilstein:1724622|GlyTouCan:G36445ON phenio.json (2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexanal|WURCS=2.0/1,1,0/[o1221h]/1/|aldehydo-L-galacto-hexose|aldehydo-L-galactose http://purl.obolibrary.org/obo/CHEBI_37617 3_STAR
CHEBI:37618 biolink:ChemicalSubstance L-galactose phenio.json L-Gal|L-galacto-hexose|L-galactose http://purl.obolibrary.org/obo/CHEBI_37618 3_STAR
CHEBI:37619 biolink:ChemicalSubstance L-galactopyranose The L-enantiomer of galactopyranose. CAS:15572-79-9|GlyTouCan:G75623HL|Gmelin:1420663|Reaxys:1423216 phenio.json (3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol|L-galactopyranose|L-galactose|WURCS=2.0/1,1,0/[a1221h-1x_1-5]/1/ http://purl.obolibrary.org/obo/CHEBI_37619 3_STAR
CHEBI:3762 biolink:ChemicalSubstance dipotassium clorazepate The compound of monopotassium clorazepate with potassium hydroxide. It is used for the management of anxiety disorders, for the short-term relief of anxiety, as adjunctive therapy in the management of epilepsy, and for the symptomatic relief of acute alcohol withdrawal. Beilstein:9747917|CAS:57109-90-7|DrugBank:DB00628|KEGG:D00694 phenio.json Clorazepate dipotassium|bipotassium chlorazepate|clorazepate dipotassique|clorazepato dipotasico|dikalii clorazepas|dipotassium 7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylate hydroxide|dipotassium clorazepate http://purl.obolibrary.org/obo/CHEBI_3762 3_STAR
CHEBI:37620 biolink:ChemicalSubstance beta-L-galactose A L-galactopyranose with a beta-configuration at the anomeric position. GlyTouCan:G76622SI|Reaxys:1907370 phenio.json WURCS=2.0/1,1,0/[a1221h-1b_1-5]/1/|beta-L-galactopyranose http://purl.obolibrary.org/obo/CHEBI_37620 3_STAR
CHEBI:37621 biolink:ChemicalSubstance galactopyranose The pyranose form of galactose. phenio.json galactopyranose http://purl.obolibrary.org/obo/CHEBI_37621 3_STAR
CHEBI:37622 biolink:ChemicalSubstance carboxamide An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom. phenio.json carboxamides|primary carboxamide http://purl.obolibrary.org/obo/CHEBI_37622 3_STAR
CHEBI:37623 biolink:ChemicalSubstance 7alpha,25-dihydroxycholesterol KEGG:C15520 phenio.json 3beta,7alpha,25-Trihydroxycholest-5-ene|5-Cholesten-3beta,7alpha,25-triol|7alpha,25-Dihydroxycholesterol|7alpha,25-dihydroxycholesterol|Cholest-5-ene-3beta,7alpha,25-triol|cholest-5-ene-3beta,7alpha,25-triol http://purl.obolibrary.org/obo/CHEBI_37623 3_STAR
CHEBI:37624 biolink:ChemicalSubstance L-glucose Beilstein:1724626|CAS:921-60-8 phenio.json L(-)-glucose|L-gluco-hexose|L-glucose http://purl.obolibrary.org/obo/CHEBI_37624 3_STAR
CHEBI:37626 biolink:ChemicalSubstance aldehydo-L-glucose The L-enantiomer of aldehydo-glucose. Beilstein:1724626|CAS:921-60-8|GlyTouCan:G06186NU phenio.json (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal|WURCS=2.0/1,1,0/[o1211h]/1/|aldehydo-L-gluco-hexose|aldehydo-L-glucose http://purl.obolibrary.org/obo/CHEBI_37626 3_STAR
CHEBI:37627 biolink:ChemicalSubstance L-glucopyranose The L-enantiomer of glucopyranose. GlyTouCan:G16038XU|Reaxys:2206321 phenio.json L-glucopyranose|WURCS=2.0/1,1,0/[a1211h-1x_1-5]/1/ http://purl.obolibrary.org/obo/CHEBI_37627 3_STAR
CHEBI:3763 biolink:ChemicalSubstance clorgyline An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant. CAS:17780-72-2|DrugBank:DB04017|KEGG:C11685|KEGG:D03248|LINCS:LSM-5808|MetaCyc:CPD-7656|PDBeChem:MLG|PMID:21079379|PMID:22203607|PMID:23546802|PMID:5119769|Reaxys:1976758|Wikipedia:Clorgiline phenio.json M & B 9302|M and B 9302|M&B 9302|N-(3-(2,4-dichlorophenoxy)propyl)-N-methyl-2-propynylamine|N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine|N-methyl-N-propargyl-3-(2,4-dichlorophenoxy)propylamine|clorgilina|clorgiline|clorgilinum http://purl.obolibrary.org/obo/CHEBI_3763 3_STAR
CHEBI:37630 biolink:ChemicalSubstance alpha-L-glucose A L-glucopyranose with an alpha-configuration at the anomeric position. GlyTouCan:G15768VA|Reaxys:1907372 phenio.json WURCS=2.0/1,1,0/[a1211h-1a_1-5]/1/|alpha-L-glucopyranose http://purl.obolibrary.org/obo/CHEBI_37630 3_STAR
CHEBI:37631 biolink:ChemicalSubstance beta-L-glucose A L-glucopyranose with a beta-configuration at the anomeric position. GlyTouCan:G59396XU|Reaxys:1907373 phenio.json WURCS=2.0/1,1,0/[a1211h-1b_1-5]/1/|beta-L-glucopyranose http://purl.obolibrary.org/obo/CHEBI_37631 3_STAR
CHEBI:37633 biolink:ChemicalSubstance (alpha-D-mannosyl)4-beta-D-mannosyldiacetylchitobiosyldiphosphodolichol A dolichyl diphosphooligosaccharide compound consisting of a branched heptasaccharide attached to the dolichyl chain via a diphosphate linkage. GlyGen:G59406KS|GlyTouCan:G59406KS|KEGG:C05864|KEGG:G00006 phenio.json (alpha-D-Mannosyl)4-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol http://purl.obolibrary.org/obo/CHEBI_37633 3_STAR
CHEBI:37637 biolink:ChemicalSubstance alpha-Man-(1->2)-alpha-Man-(1->2)-alpha-Man-(1->3)-[alpha-Man-(1->2)-alpha-Man-(1->3)-[alpha-Man-(1->2)-alpha-Man-(1->6)]-alpha-Man-(1->6)]-beta-Man-(1->4)-beta-GlcNAc-(1->4)-alpha-GlcNAc(PP-Dol) A dolichyl diphosphooligosaccharide intermediate involved in post-translational modification of proteins. KEGG:C05868|KEGG:G00007 phenio.json (GlcNAc)2 (Man)9 (PP-Dol)1|(alpha-D-Mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol|(alpha-D-mannosyl)8-beta-D-mannosyl-diacetylchitobiosyldiphosphodolichol|alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)|alpha-Manp-(1->2)-alpha-Manp-(1->2)-alpha-Manp-(1->3)-[alpha-Manp-(1->2)-alpha-Manp-(1->3)-[alpha-Manp-(1->2)-alpha-Manp-(1->6)]-alpha-Manp-(1->6)]-beta-Manp-(1->4)-beta-GlcpNAc-(1->4)-alpha-GlcpNAc(PP-Dol) http://purl.obolibrary.org/obo/CHEBI_37637 3_STAR
CHEBI:3764 biolink:ChemicalSubstance clotrimazole A member of the class of imidazoles that is 1H-imidazole in which the hydrogen attached to a nitrogen is replaced by a monochlorotrityl group. CAS:23593-75-1|DrugBank:DB00257|Drug_Central:719|HMDB:HMDB0001922|KEGG:C06922|KEGG:D00282|LINCS:LSM-5341|PDBeChem:CL6|PMID:18728240|PMID:24892421|Reaxys:622318|Wikipedia:Clotrimazole phenio.json 1-((2-Chlorophenyl)diphenylmethyl)-1H-imidazole|1-(alpha-(2-Chlorophenyl)benzhydryl)imidazole|1-(o-Chloro-alpha,alpha-diphenylbenzyl)imidazole|1-(o-Chlorotrityl)imidazole|1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole|Clotrimazole|Lotrimin (TN)|Mycelex (TN) http://purl.obolibrary.org/obo/CHEBI_3764 3_STAR
CHEBI:37640 biolink:ChemicalSubstance (24S)-7alpha,24-dihydroxycholesterol A 7alpha,24-dihydroxycholesterol in which has S configuration at position 24. Beilstein:9023517|KEGG:C15518 phenio.json (24S)-7alpha-dihydroxycholesterol|(24S)-Cholest-5-ene-3beta,7alpha,24-triol|(24S)-cholest-5-ene-3beta,7alpha,24-triol|5-Cholesten-3beta,7alpha,24(S)-triol http://purl.obolibrary.org/obo/CHEBI_37640 3_STAR
CHEBI:37642 biolink:ChemicalSubstance (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA A 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA in which the carbon at position 25 of the steroidal side chain has R configuration. Beilstein:8185530|KEGG:C15613 phenio.json (25R)-3,7,12-trihydroxycoprostanoyl-CoA|(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA|(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA|(25R)-THCA-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_37642 3_STAR
CHEBI:37643 biolink:ChemicalSubstance (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA A 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA in which the carbon at position 25 of the steroidal side chain has S configuration. phenio.json (25S)-3,7,12-trihydroxycoprostanoyl-CoA|(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA|(25S)-THCA-CoA|3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} http://purl.obolibrary.org/obo/CHEBI_37643 3_STAR
CHEBI:37645 biolink:ChemicalSubstance luteolin 7-O-[(beta-D-glucosyluronic acid)-(1->2)-(beta-D-glucosiduronic acid)] 4'-O-beta-D-glucosiduronic acid A luteolin glucosiduronic acid that consists of luteolin substituted by a beta-D-glucopyranosyluronic acid-(1->2)-beta-D-glucopyranosiduronic acid group at position 7 and a beta-D-glucopyranosyluronic acid group at position 4' via glycosidic linkages. KEGG:C04900|MetaCyc:LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2|Reaxys:6561601 phenio.json 2-[4-(beta-D-glucopyranosyloxyuronic acid)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl (beta-D-glucopyranosyluronic acid)-(1->2)-(beta-D-glucopyranosiduronic acid)|2-[4-(beta-D-glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid|Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide http://purl.obolibrary.org/obo/CHEBI_37645 3_STAR
CHEBI:37646 biolink:ChemicalSubstance 2-acyl-sn-glycero-3-phosphoserine KEGG:C05974 phenio.json 2-Acyl-sn-glycero-3-phosphoserine|2-acyl-sn-glycero-3-phosphoserines http://purl.obolibrary.org/obo/CHEBI_37646 3_STAR
CHEBI:37647 biolink:ChemicalSubstance xanthone The parent compound of the xanthone class consisting of xanthene bearing a single oxo substituent at position 9. CAS:90-47-1|Gmelin:166003|Reaxys:140443|Wikipedia:Xanthone phenio.json 9-oxoxanthene|9-xanthenone|9-xanthone|9H-xanthen-9-one|Genicide|benzophenone oxide|dibenzo-gamma-pyrone|diphenylene ketone oxide|xanthenone http://purl.obolibrary.org/obo/CHEBI_37647 3_STAR
CHEBI:37650 biolink:ChemicalSubstance ribonucleoside 2'-monophosphate phenio.json ribonucleoside 2'-monophosphates http://purl.obolibrary.org/obo/CHEBI_37650 3_STAR
CHEBI:37651 biolink:ChemicalSubstance pyrimidine ribonucleoside 2'-monophosphate phenio.json pyrimidine ribonucleoside 2'-monophosphates http://purl.obolibrary.org/obo/CHEBI_37651 3_STAR
CHEBI:37653 biolink:ChemicalSubstance phosphoerythronic acid phenio.json O-phosphonoerythronic acid http://purl.obolibrary.org/obo/CHEBI_37653 3_STAR
CHEBI:37654 biolink:ChemicalSubstance erythronic acid The erythro-isomer of 2,3,4-trihydroxybutanoic acid. Beilstein:1722843|Beilstein:8036291|HMDB:HMDB0000613|KNApSAcK:C00033834 phenio.json rel-(2R,3R)-2,3,4-trihydroxybutanoic acid http://purl.obolibrary.org/obo/CHEBI_37654 3_STAR
CHEBI:37655 biolink:ChemicalSubstance D-erythronic acid An erythronic acid in which the stereocentres at positions 2 and 3 both have R-configuration (the D-enantiomer). CAS:13752-84-6|HMDB:HMDB0000613|MetaCyc:CPD-19877|Reaxys:1722840 phenio.json (2R,3R)-2,3,4-trihydroxybutanoic acid|D-erythronic acid|Erythronic acid|erythro-2,3,4-Trihydroxybutyric acid http://purl.obolibrary.org/obo/CHEBI_37655 3_STAR
CHEBI:37659 biolink:ChemicalSubstance oleanolic acid A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3. CAS:508-02-1|KEGG:C17148|PMID:15541359|PMID:24393202|Wikipedia:Oleanolic_acid phenio.json 3beta-Hydroxyolean-12-en-28-oic acid|3beta-hydroxyolean-12-en-28-oic acid|Astrantiagenin C|Caryophyllin|Giganteumgenin C|Oleanic acid|Virgaureagenin B http://purl.obolibrary.org/obo/CHEBI_37659 3_STAR
CHEBI:3766 biolink:ChemicalSubstance clozapine A benzodiazepine that is 5H-dibenzo[b,e][1,4]diazepine substituted by a chloro group at position 8 and a 4-methylpiperazin-1-yl group at position 11. It is a second generation antipsychotic used in the treatment of psychiatric disorders like schizophrenia. Beilstein:0764984|CAS:5786-21-0|DrugBank:DB00363|Drug_Central:722|HMDB:HMDB0014507|KEGG:C06924|KEGG:D00283|PMID:18690109|PMID:18766167|PMID:20825390|PMID:24219174|Patent:FR1334944|Patent:NL293201|Patent:US3539573|Reaxys:764984|Wikipedia:Clozapine phenio.json 8-chloro-11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine|Clozapin|Clozapine|clozapina|clozapine|clozapinum http://purl.obolibrary.org/obo/CHEBI_3766 3_STAR
CHEBI:37661 biolink:ChemicalSubstance glucopyranose phenio.json glucopyranose http://purl.obolibrary.org/obo/CHEBI_37661 3_STAR
CHEBI:37662 biolink:ChemicalSubstance aldehydo-galactose phenio.json aldehydo-galactose|rel-(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal http://purl.obolibrary.org/obo/CHEBI_37662 3_STAR
CHEBI:37663 biolink:ChemicalSubstance aldehydo-glucose The open chain form of glucose. phenio.json aldehydo-gluco-hexose|aldehydo-glucose|rel-(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal http://purl.obolibrary.org/obo/CHEBI_37663 3_STAR
CHEBI:37667 biolink:ChemicalSubstance sesquiterpene lactone Any member of a diverse class of complex, multicyclic phytochemicals showing a variety of skeleton arrangements and bioactivities, and having in common a sesquiterpenoid structure including a lactone ring. phenio.json sesquiterpene lactones http://purl.obolibrary.org/obo/CHEBI_37667 3_STAR
CHEBI:37668 biolink:ChemicalSubstance terpene lactone phenio.json terpene lactones http://purl.obolibrary.org/obo/CHEBI_37668 3_STAR
CHEBI:37669 biolink:ChemicalSubstance methanopterins MetaCyc:Methanopterines-and-derivatives phenio.json http://purl.obolibrary.org/obo/CHEBI_37669 3_STAR
CHEBI:37670 biolink:ChemicalSubstance protease inhibitor A compound which inhibits or antagonizes the biosynthesis or actions of proteases (endopeptidases). Wikipedia:Protease_inhibitor_(biology) phenio.json protease inhibitors http://purl.obolibrary.org/obo/CHEBI_37670 3_STAR
CHEBI:37671 biolink:ChemicalSubstance (1->3)-beta-D-glucan A beta-D-glucan in which the glucose units are connected by (1->3) linkages. KEGG:C00965|KEGG:G10477|PMID:27562783 phenio.json (1,3-beta-D-Glucosyl)n|(1,3-beta-D-Glucosyl)n+1|(1,3-beta-D-Glucosyl)n-1|(1,3-beta-D-glucosyl)n|(1->3)-beta-D-glucopyranan|1,3-beta-D-Glucan|1,3-beta-Glucan|beta-(1,3)-glucan|beta-1,3-glucan|callose|curdlan|zymosan http://purl.obolibrary.org/obo/CHEBI_37671 3_STAR
CHEBI:37673 biolink:ChemicalSubstance ajmalan Beilstein:893162 phenio.json ajmalan http://purl.obolibrary.org/obo/CHEBI_37673 3_STAR
CHEBI:37676 biolink:ChemicalSubstance L-mannose phenio.json L-mannose http://purl.obolibrary.org/obo/CHEBI_37676 3_STAR
CHEBI:37677 biolink:ChemicalSubstance L-mannopyranose The L-enantiomer of mannopyranose. Beilstein:3081603|GlyTouCan:G48232PN phenio.json L-mannopyranose|WURCS=2.0/1,1,0/[a2211h-1x_1-5]/1/ http://purl.obolibrary.org/obo/CHEBI_37677 3_STAR
CHEBI:3768 biolink:ChemicalSubstance Cnicin CAS:24394-09-0|KEGG:C09362|KNApSAcK:C00003232 phenio.json Cnicin http://purl.obolibrary.org/obo/CHEBI_3768 2_STAR
CHEBI:37680 biolink:ChemicalSubstance alpha-L-mannose A L-mannopyranose with an alpha-configuration at the anomeric position. Beilstein:2042284|GlyTouCan:G30086RR phenio.json WURCS=2.0/1,1,0/[a2211h-1a_1-5]/1/|alpha-L-mannopyranose http://purl.obolibrary.org/obo/CHEBI_37680 3_STAR
CHEBI:37683 biolink:ChemicalSubstance mannopyranose The pyranose form of mannose. phenio.json mannopyranose http://purl.obolibrary.org/obo/CHEBI_37683 3_STAR
CHEBI:37684 biolink:ChemicalSubstance mannose An aldohexose that is the C-2 epimer of glucose. PMID:16180318|PMID:24407290 phenio.json Man|manno-hexose|mannose http://purl.obolibrary.org/obo/CHEBI_37684 3_STAR
CHEBI:37690 biolink:ChemicalSubstance allose An aldohexose that is the C-3 epimer of glucose. PMID:24696548|Wikipedia:Allose phenio.json All|allo-hexose|allose http://purl.obolibrary.org/obo/CHEBI_37690 3_STAR
CHEBI:37694 biolink:ChemicalSubstance O-phospho peptide phenio.json O-phospho peptides http://purl.obolibrary.org/obo/CHEBI_37694 3_STAR
CHEBI:37696 biolink:ChemicalSubstance carbohydrate acid ester phenio.json carbohydrate acid esters http://purl.obolibrary.org/obo/CHEBI_37696 3_STAR
CHEBI:37697 biolink:ChemicalSubstance indolocarbazole alkaloid phenio.json indolocarbazole alkaloids|indolocarbazoles http://purl.obolibrary.org/obo/CHEBI_37697 3_STAR
CHEBI:37699 biolink:ChemicalSubstance protein kinase inhibitor An EC 2.7.* (P-containing group transferase) inhibitor that interferes with the action of protein kinases. phenio.json protein kinase inhibitors http://purl.obolibrary.org/obo/CHEBI_37699 3_STAR
CHEBI:3770 biolink:ChemicalSubstance co-trimoxazole A two-component mixture comprising trimethoprim and sulfamethoxazole. CAS:8064-90-2|KEGG:D00285|PMID:10737909|PMID:11120976|PMID:445303|PMID:9756768|Reaxys:5236098|Wikipedia:Trimethoprim/sulfamethoxazole phenio.json 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide - 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine (1:1)|Bactrim|Cotrimoxazol|Cotrimoxazole|Septra|Sulfamethoxazole - trimethoprim mixture|Sulfamethoxazole / trimethoprim|Sulfamethoxazole and trimethoprim|Sulfamethoxazole mixture with trimethoprim|Sulfamethoxazole trimethoprim|Sulfamethoxazole-trimethoprim|Trimethoprim and sulfamethoxazole|Trimethoprim and sulphamethoxazole|Trimethoprim-sulfamethoxazole|Trimethoprim-sulfamethoxazole combination|Trimethoprim/sulfamethoxazole|sulfamethoxazol/trimetoprim http://purl.obolibrary.org/obo/CHEBI_3770 3_STAR
CHEBI:37700 biolink:ChemicalSubstance EC 2.7.11.13 (protein kinase C) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13). phenio.json ATP:protein phosphotransferase (diacylglycerol-dependent) inhibitor|ATP:protein phosphotransferase (diacylglycerol-dependent) inhibitors|EC 2.7.11.13 (protein kinase C) inhibitors|EC 2.7.11.13 inhibitor|EC 2.7.11.13 inhibitors|PKC inhibitor|PKC inhibitors|PKCalpha inhibitor|PKCalpha inhibitors|PKCbeta inhibitor|PKCbeta inhibitors|PKCdelta inhibitor|PKCdelta inhibitors|PKCepsilon inhibitor|PKCepsilon inhibitors|PKCgamma inhibitor|PKCgamma inhibitors|PKCzeta inhibitor|PKCzeta inhibitors|PKN3 inhibitor|PKN3 inhibitors|Pkc1p inhibitor|Pkc1p inhibitors|STK24 inhibitor|STK24 inhibitors|cPKC inhibitor|cPKC inhibitors|cPKCalpha inhibitor|cPKCalpha inhibitors|cPKCbeta inhibitor|cPKCbeta inhibitors|cPKCgamma inhibitor|cPKCgamma inhibitors|calcium-dependent protein kinase C inhibitor|calcium-dependent protein kinase C inhibitors|calcium-independent protein kinase C inhibitor|calcium-independent protein kinase C inhibitors|calcium/phospholipid dependent protein kinase inhibitor|calcium/phospholipid dependent protein kinase inhibitors|nPKC inhibitor|nPKC inhibitors|nPKCdelta inhibitor|nPKCdelta inhibitors|nPKCepsilon inhibitor|nPKCepsilon inhibitors|nPKCeta inhibitor|nPKCeta inhibitors|nPKCtheta inhibitor|nPKCtheta inhibitors|protein kinase C (EC 2.7.11.13) inhibitor|protein kinase C (EC 2.7.11.13) inhibitors|protein kinase C inhibitor|protein kinase C inhibitors|protein kinase Cepsilon inhibitor|protein kinase Cepsilon inhibitors http://purl.obolibrary.org/obo/CHEBI_37700 3_STAR
CHEBI:37702 biolink:ChemicalSubstance aldonate ester phosphate phenio.json aldonate ester phosphates http://purl.obolibrary.org/obo/CHEBI_37702 3_STAR
CHEBI:37709 biolink:ChemicalSubstance idose Wikipedia:Idose phenio.json Ido|ido-hexose|idose http://purl.obolibrary.org/obo/CHEBI_37709 3_STAR
CHEBI:37712 biolink:ChemicalSubstance O-phosphoserine A serine derivative that is serine substituted at the oxygen atom by a phosphono group. Beilstein:1726828|CAS:17885-08-4|HMDB:HMDB0001721|PMID:7693088|Wikipedia:Phosphoserine phenio.json 2-amino-3-(phosphonooxy)propanoic acid|DL-serine dihydrogen phosphate|DL-serine, dihydrogen phosphate (ester)|O-phosphonoserine|phosphoserine http://purl.obolibrary.org/obo/CHEBI_37712 3_STAR
CHEBI:37713 biolink:ChemicalSubstance O-phospho-D-serine The D-enantiomer of O-phosphoserine. Gmelin:1876423|KEGG:C02532|Reaxys:1726827 phenio.json (2R)-2-amino-3-(phosphonooxy)propanoic acid|D-O-Phosphoserine|O-phosphono-D-serine http://purl.obolibrary.org/obo/CHEBI_37713 3_STAR
CHEBI:37716 biolink:ChemicalSubstance mixed diacylamine Any imide in which the acyl substituents are any two from carboacyl, sulfonyl and phosphoryl phenio.json mixed diacylamines http://purl.obolibrary.org/obo/CHEBI_37716 3_STAR
CHEBI:37721 biolink:ChemicalSubstance D-fructofuranose A fructofuranose that has D configuration. Beilstein:1680728|CAS:57-48-7|Gmelin:1867103|KEGG:C00095|KNApSAcK:C00001117 phenio.json D-arabino-Hexulose|D-fructofuranose|D-fructose|Fruit sugar|Levulose http://purl.obolibrary.org/obo/CHEBI_37721 3_STAR
CHEBI:37722 biolink:ChemicalSubstance fructofuranose phenio.json fructofuranose http://purl.obolibrary.org/obo/CHEBI_37722 3_STAR
CHEBI:37723 biolink:ChemicalSubstance keto-fructose phenio.json keto-fructose http://purl.obolibrary.org/obo/CHEBI_37723 3_STAR
CHEBI:37724 biolink:ChemicalSubstance keto-L-fructose Beilstein:1724560 phenio.json keto-L-fructose http://purl.obolibrary.org/obo/CHEBI_37724 3_STAR
CHEBI:37725 biolink:ChemicalSubstance L-fructofuranose The L-enantiomer of fructofuranose. CAS:7776-48-9|KEGG:C01719 phenio.json L-arabino-Hexulose|L-fructofuranose http://purl.obolibrary.org/obo/CHEBI_37725 3_STAR
CHEBI:37733 biolink:ChemicalSubstance EC 3.1.1.8 (cholinesterase) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8). phenio.json BChE inhibitor|BChE inhibitors|BtChoEase inhibitor|BtChoEase inhibitors|EC 3.1.1.8 (cholinesterase) inhibitors|EC 3.1.1.8 inhibitor|EC 3.1.1.8 inhibitors|anticholineesterase inhibitor|anticholineesterase inhibitors|anticholinesterase|anticholinesterases|benzoylcholinesterase inhibitor|benzoylcholinesterase inhibitors|butyrylcholine esterase inhibitor|butyrylcholine esterase inhibitors|butyrylcholinesterase inhibitor|butyrylcholinesterase inhibitors|choline esterase II (unspecific) inhibitor|choline esterase II (unspecific) inhibitors|choline esterase inhibitor|choline esterase inhibitors|cholinesterase (EC 3.1.1.8) inhibitor|cholinesterase (EC 3.1.1.8) inhibitors|cholinesterase inhibitor|non-specific cholinesterase inhibitor|non-specific cholinesterase inhibitors|propionylcholinesterase inhibitor|propionylcholinesterase inhibitors|pseudocholinesterase inhibitor|pseudocholinesterase inhibitors http://purl.obolibrary.org/obo/CHEBI_37733 3_STAR
CHEBI:37734 biolink:ChemicalSubstance phosphoric ester phenio.json http://purl.obolibrary.org/obo/CHEBI_37734 1_STAR
CHEBI:37735 biolink:ChemicalSubstance phosphonic ester A phosphonic acid derivative in which one or both OH groups have been esterified. phenio.json phosphonate esters http://purl.obolibrary.org/obo/CHEBI_37735 3_STAR
CHEBI:37736 biolink:ChemicalSubstance D-fructofuranose 1,6-bisphosphate The furanose form of D-fructose 1,6-bisphosphate. Beilstein:2511822|CAS:488-69-7|KEGG:C00354|KNApSAcK:C00007386|PDBeChem:AFP phenio.json 1,6-di-O-phosphono-D-fructofuranose|D-fructofuranose 1,6-bis(dihydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_37736 3_STAR
CHEBI:37737 biolink:ChemicalSubstance 5-phospho-beta-D-ribosylamine The beta-anomer of 5-phospho-D-ribosylamine. Chemspider:388939|KEGG:C03090|KNApSAcK:C00007377|PDBeChem:GRF|PMID:14687931|PMID:2454658|PMID:8663035 phenio.json 5-O-phosphono-beta-D-ribofuranosylamine|5-Phospho-D-ribosylamine|5-Phospho-beta-D-ribosylamine|5-Phosphoribosyl-1-amine|5-Phosphoribosylamine http://purl.obolibrary.org/obo/CHEBI_37737 3_STAR
CHEBI:37738 biolink:ChemicalSubstance undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine An undecaprenyldiphospho-N-acetylmuramoyl peptide in which the peptide element is L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine. Beilstein:9039256|KEGG:C04851|KEGG:G10552 phenio.json MurAc(oyl-L-Ala-D-gamma-Glu-L-Lys-D-Ala-D-Ala)-diphospho-undecaprenol|N-[(2R)-2-{[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-2-({hydroxy[(hydroxy{[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]oxy}phosphoryl)oxy]phosphoryl}oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine|Undecaprenyl-diphospho-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-L-lysyl-D-alanyl-D-alanine http://purl.obolibrary.org/obo/CHEBI_37738 3_STAR
CHEBI:37739 biolink:ChemicalSubstance glycerophospholipid Any glycerolipid having a phosphate group ester-linked to a terminal carbon of the glycerol backbone. PMID:17393491 phenio.json glycerophospholipids|phosphatide|phosphatides|phosphoglyceride|phosphoglycerides http://purl.obolibrary.org/obo/CHEBI_37739 3_STAR
CHEBI:37746 biolink:ChemicalSubstance aldehydo-L-allose An L-allose in open-chain form. Beilstein:1724618|GlyTouCan:G14987PW phenio.json (2S,3S,4S,5S)-2,3,4,5,6-pentahydroxyhexanal|WURCS=2.0/1,1,0/[o1111h]/1/|aldehydo-L-allo-hexose|aldehydo-L-allose http://purl.obolibrary.org/obo/CHEBI_37746 3_STAR
CHEBI:37747 biolink:ChemicalSubstance L-allose phenio.json L-All|L-allo-hexose|L-allose http://purl.obolibrary.org/obo/CHEBI_37747 3_STAR
CHEBI:37748 biolink:ChemicalSubstance aldehydo-allose An allose in open-chain form. phenio.json aldehydo-allose|rel-(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanal http://purl.obolibrary.org/obo/CHEBI_37748 3_STAR
CHEBI:37749 biolink:ChemicalSubstance halogen oxide phenio.json halogen oxide|halogen oxides http://purl.obolibrary.org/obo/CHEBI_37749 3_STAR
CHEBI:37750 biolink:ChemicalSubstance chlorine oxide phenio.json chlorine oxides http://purl.obolibrary.org/obo/CHEBI_37750 3_STAR
CHEBI:37753 biolink:ChemicalSubstance pseudooxynicotine An aminoacylpyridine that is pyridine substituted at position 3 by a 4-(methylamino)butanoyl group. CAS:2055-23-4|HMDB:HMDB0001240|MetaCyc:CPD-14092|PMID:17464070|PMID:18203859|PMID:19060159|PMID:21637938|PMID:22267672|PMID:8512249|Reaxys:132948 phenio.json 4-(methylamino)-1-(3-pyridinyl)-1-butanone|4-(methylamino)-1-(3-pyridyl)-1-butanone|4-(methylamino)-1-(pyridin-3-yl)butan-1-one http://purl.obolibrary.org/obo/CHEBI_37753 3_STAR
CHEBI:37754 biolink:ChemicalSubstance 6-hydroxypseudooxynicotine The 6-hydroxy derivative of pseudooxynicotine. CAS:7424-35-3|KEGG:C01297|UM-BBD_compID:c0472 phenio.json 1-(6-Hydroxypyrid-3-yl)-4-(methylamino)butan-1-one|1-(6-Hydroxypyridin-3-yl)-4-(methylamino)butan-1-one|1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one http://purl.obolibrary.org/obo/CHEBI_37754 3_STAR
CHEBI:37755 biolink:ChemicalSubstance 4-(methylamino)butyric acid A gamma-amino acid comprising that is GABA in which one of the hydrogens attached to the nitrogen is replaced by a methyl group. CAS:1119-48-8|KEGG:C15987|Reaxys:1744840 phenio.json 4-(N-methylamino)butyric acid|4-(methylamino)butanoic acid|4-Methylamino-buttersaeure|gamma-N-Methylaminobutyrate|gamma-methylaminobutyric acid http://purl.obolibrary.org/obo/CHEBI_37755 3_STAR
CHEBI:37763 biolink:ChemicalSubstance elemental silicon phenio.json http://purl.obolibrary.org/obo/CHEBI_37763 3_STAR
CHEBI:37767 biolink:ChemicalSubstance elemental tin phenio.json http://purl.obolibrary.org/obo/CHEBI_37767 3_STAR
CHEBI:37773 biolink:ChemicalSubstance organic phosphoramidate phenio.json organic phosphoramidates http://purl.obolibrary.org/obo/CHEBI_37773 3_STAR
CHEBI:37778 biolink:ChemicalSubstance cycloartane A triterpene that is lanostane in which there is a methylene bridge between the 5- and 9-positions. Beilstein:3207210|CAS:511-64-8|Reaxys:3207211 phenio.json 4,4,14-trimethyl-9,19-cyclo-5alpha,9beta-cholestane|9,19-Cyclolanostane|9beta,19-cyclolanostane|Cycloorthane http://purl.obolibrary.org/obo/CHEBI_37778 3_STAR
CHEBI:37783 biolink:ChemicalSubstance organosulfinic acid Organic derivatives of sulfinic acid in which the sulfino group is linked directly to carbon. phenio.json organosulfinic acid|organosulfinic acids|sulfinic acids http://purl.obolibrary.org/obo/CHEBI_37783 3_STAR
CHEBI:37784 biolink:ChemicalSubstance sulfinic acid derivative phenio.json derivatives of sulfinic acid|sulfinic acid derivative|sulfinic acid derivatives http://purl.obolibrary.org/obo/CHEBI_37784 3_STAR
CHEBI:37785 biolink:ChemicalSubstance organosulfinate oxoanion An organic anion resulting from the removal of the proton from the sulfino group of an organosulfinic acid. phenio.json organosulfinate|organosulfinate oxoanions|organosulfinates http://purl.obolibrary.org/obo/CHEBI_37785 3_STAR
CHEBI:37786 biolink:ChemicalSubstance acyclic phosphorus acid anhydride phenio.json acyclic phosphorus acid anhydrides http://purl.obolibrary.org/obo/CHEBI_37786 3_STAR
CHEBI:37787 biolink:ChemicalSubstance acyclic mixed acid anhydride phenio.json acyclic mixed acid anhydrides http://purl.obolibrary.org/obo/CHEBI_37787 3_STAR
CHEBI:37793 biolink:ChemicalSubstance amino sulfonic acid An organosulfonic acid containing one or more amino groups. phenio.json amino sulfonic acids|aminosulfonic acid|aminosulfonic acids http://purl.obolibrary.org/obo/CHEBI_37793 3_STAR
CHEBI:37794 biolink:ChemicalSubstance aminosulfinic acid Organosulfinic acids containing one or more amino groups. phenio.json aminosulfinic acid|aminosulfinic acids http://purl.obolibrary.org/obo/CHEBI_37794 3_STAR
CHEBI:37798 biolink:ChemicalSubstance cyclic phosphorus acid anhydride phenio.json cyclic phosphorus acid anhydrides http://purl.obolibrary.org/obo/CHEBI_37798 3_STAR
CHEBI:37806 biolink:ChemicalSubstance penicillanic acid A penam that consists of 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane bearing a carboxy group at position 2 and having (2S,5R)-configuration. CAS:87-53-6|Reaxys:4677775 phenio.json (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|2,2-dimethylpenam-3alpha-carboxylic acid|penicillanic acid http://purl.obolibrary.org/obo/CHEBI_37806 3_STAR
CHEBI:37808 biolink:ChemicalSubstance butane A straight chain alkane composed of 4 carbon atoms. Beilstein:969129|CAS:106-97-8|Gmelin:1148|PDBeChem:NBU|PMID:24179026|Reaxys:969129|Wikipedia:Butane phenio.json E 943a|E-943a|E943a|N-BUTANE|R-600|butane|n-Butan|n-C4H10|n-butane http://purl.obolibrary.org/obo/CHEBI_37808 3_STAR
CHEBI:37809 biolink:ChemicalSubstance trans-dec-3-enoic acid A decenoic acid having a trans- double bond at position 3. CAS:53678-20-9|LIPID_MAPS_instance:LMFA01030030|Reaxys:1722688 phenio.json (3E)-dec-3-enoic acid|(E)-3-Decenoic acid|10:1 (n-7)|C10:1 (n-7)|Dec-3t-ensaeure|dec-3t-enoic acid|trans-3-decenoic acid|trans-Decen-3-saeure http://purl.obolibrary.org/obo/CHEBI_37809 3_STAR
CHEBI:37810 biolink:ChemicalSubstance octadecatetraenoic acid A polyunsaturated fatty acid whose structure contains double bonds at any four positions of an 18-carbon straight chain. PMID:20479962 phenio.json 18:4|C18:4|octadecatetraenoic acids http://purl.obolibrary.org/obo/CHEBI_37810 3_STAR
CHEBI:37812 biolink:ChemicalSubstance dialkylglycerol phenio.json dialkylglycerols http://purl.obolibrary.org/obo/CHEBI_37812 3_STAR
CHEBI:37826 biolink:ChemicalSubstance sulfuric acid derivative phenio.json sulfuric acid derivative|sulfuric acid derivatives http://purl.obolibrary.org/obo/CHEBI_37826 3_STAR
CHEBI:37827 biolink:ChemicalSubstance thiosulfuric acid derivative phenio.json thiosulfuric acid derivatives http://purl.obolibrary.org/obo/CHEBI_37827 3_STAR
CHEBI:37830 biolink:ChemicalSubstance pentane A straight chain alkane consisting of 5 carbon atoms. Beilstein:969132|CAS:109-66-0|Gmelin:1766|HMDB:HMDB0029603|PDBeChem:LNK|PMID:14664856|PMID:24284369|PMID:24702114|Wikipedia:Pentane phenio.json CH3-[CH2]3-CH3|PENTANE|Pentan|R-601|n-pentane|pentane http://purl.obolibrary.org/obo/CHEBI_37830 3_STAR
CHEBI:37834 biolink:ChemicalSubstance (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene Beilstein:9499933 phenio.json (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraene http://purl.obolibrary.org/obo/CHEBI_37834 3_STAR
CHEBI:37835 biolink:ChemicalSubstance alkatetraene Acyclic branched or unbranched hydrocarbons having four carbon-carbon double bonds. phenio.json alkatetraene|alkatetraenes http://purl.obolibrary.org/obo/CHEBI_37835 3_STAR
CHEBI:37838 biolink:ChemicalSubstance carboacyl group A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid. phenio.json carboacyl groups|carboxylic acyl group|carboxylic acyl groups http://purl.obolibrary.org/obo/CHEBI_37838 3_STAR
CHEBI:37839 biolink:ChemicalSubstance heterocyclyl sulfate phenio.json heterocyclyl sulfates http://purl.obolibrary.org/obo/CHEBI_37839 3_STAR
CHEBI:37840 biolink:ChemicalSubstance hydroxyflavone sulfate phenio.json hydroxyflavone sulfates http://purl.obolibrary.org/obo/CHEBI_37840 3_STAR
CHEBI:37841 biolink:ChemicalSubstance isoprenoid phosphate phenio.json isoprenoid phosphates http://purl.obolibrary.org/obo/CHEBI_37841 3_STAR
CHEBI:37845 biolink:ChemicalSubstance growth hormone A hormone that specifically regulates growth. CAS:9002-72-6|KEGG:C18181 phenio.json GH|Somatotropin|Wachstumshormon|growth hormones http://purl.obolibrary.org/obo/CHEBI_37845 3_STAR
CHEBI:37846 biolink:ChemicalSubstance imidazo[1,2-a]pyrazine Beilstein:606562 phenio.json http://purl.obolibrary.org/obo/CHEBI_37846 3_STAR
CHEBI:37847 biolink:ChemicalSubstance imidazopyrazine phenio.json imidazopyrazine|imidazopyrazines http://purl.obolibrary.org/obo/CHEBI_37847 3_STAR
CHEBI:37848 biolink:ChemicalSubstance plant hormone A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds. Wikipedia:Phytohormone phenio.json phytohormone|phytohormones|plant growth factor|plant growth factors|plant growth hormone|plant growth hormones|plant hormones http://purl.obolibrary.org/obo/CHEBI_37848 3_STAR
CHEBI:37852 biolink:ChemicalSubstance organoammonium sulfate salt phenio.json organoammonium sulfates http://purl.obolibrary.org/obo/CHEBI_37852 3_STAR
CHEBI:37853 biolink:ChemicalSubstance phosphate salt phenio.json Phosphatsalz|Phosphatsalze|phosphate salt|phosphate salts http://purl.obolibrary.org/obo/CHEBI_37853 3_STAR
CHEBI:37858 biolink:ChemicalSubstance sulfenic acid Gmelin:672 phenio.json HSOH|Sulfensaeure|[SH(OH)]|hydridohydroxidosulfur|sulfanol|sulfenic acid|sulphenic acid http://purl.obolibrary.org/obo/CHEBI_37858 3_STAR
CHEBI:37859 biolink:ChemicalSubstance sulfenate Gmelin:239436 phenio.json HSO(-)|[SHO](-)|hydridooxidosulfate(1-)|sulfanolate|sulfenate http://purl.obolibrary.org/obo/CHEBI_37859 3_STAR
CHEBI:37861 biolink:ChemicalSubstance nucleotide-sugar sulfate phenio.json nucleotide-sugar sulfates http://purl.obolibrary.org/obo/CHEBI_37861 3_STAR
CHEBI:37862 biolink:ChemicalSubstance O-sulfoamino acid phenio.json O-sulfoamino acids http://purl.obolibrary.org/obo/CHEBI_37862 3_STAR
CHEBI:37863 biolink:ChemicalSubstance chalcoperoxol phenio.json http://purl.obolibrary.org/obo/CHEBI_37863 1_STAR
CHEBI:37864 biolink:ChemicalSubstance thioperoxol phenio.json organic thiohydroperoxides|thiohydroperoxides|thioperoxol|thioperoxols http://purl.obolibrary.org/obo/CHEBI_37864 3_STAR
CHEBI:37868 biolink:ChemicalSubstance octanol A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of eight carbon atoms. CAS:29063-28-3 phenio.json Oktanol|Oktylalkohol|hydoxyoctane|hydoxyoctanes|n-octanol|octanols|octyl alcohol http://purl.obolibrary.org/obo/CHEBI_37868 3_STAR
CHEBI:37875 biolink:ChemicalSubstance acyl sulfate phenio.json acyl sulfates http://purl.obolibrary.org/obo/CHEBI_37875 3_STAR
CHEBI:37876 biolink:ChemicalSubstance O-acylglucosamine phenio.json O-acylglucosamines http://purl.obolibrary.org/obo/CHEBI_37876 3_STAR
CHEBI:37878 biolink:ChemicalSubstance glucosamine sulfate phenio.json glucosamine sulfates http://purl.obolibrary.org/obo/CHEBI_37878 3_STAR
CHEBI:37886 biolink:ChemicalSubstance adrenergic agonist An agent that selectively binds to and activates adrenergic receptors. phenio.json adrenergic agonists|adrenergic receptor agonist|adrenoceptor agonists|adrenomimetic|adrenomimetics http://purl.obolibrary.org/obo/CHEBI_37886 3_STAR
CHEBI:37887 biolink:ChemicalSubstance adrenergic antagonist An agent that binds to but does not activate adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. phenio.json adrenergic antagonists|adrenergic blockaders|adrenergic blocker|adrenergic blockers|adrenergic receptor blockaders|adrenoceptor antagonists http://purl.obolibrary.org/obo/CHEBI_37887 3_STAR
CHEBI:37888 biolink:ChemicalSubstance (1R,6S)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid Beilstein:10335631|KEGG:C06321 phenio.json (1R,2S)-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylic acid|(1R,6S)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid|cis-1,2-Dihydroxycyclohexa-3,5-diene-1-carboxylate|cis-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_37888 3_STAR
CHEBI:37889 biolink:ChemicalSubstance (1S,6R)-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid Beilstein:7369721|CAS:32359-20-9 phenio.json (1S,2R)-1,2-dihydroxycyclohexa-3,5-diene-1-carboxylic acid|(1S,6R)-1,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid|cis-(-)-1,6-dihydroxy-2,4-cyclohexadiene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_37889 3_STAR
CHEBI:3789 biolink:ChemicalSubstance cobalt-precorrin-6B KEGG:C11543|MetaCyc:CPD-9044 phenio.json 3,3',3'',3'''-{[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethylcorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt|Cobalt-dihydro-precorrin 6|Cobalt-precorrin 6B http://purl.obolibrary.org/obo/CHEBI_3789 3_STAR
CHEBI:37890 biolink:ChemicalSubstance alpha-adrenergic antagonist An agent that binds to but does not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous alpha-adrenergic agonists. alpha-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. phenio.json alpha-adrenergic antagonists|alpha-adrenergic blocker|alpha-adrenergic blockers|alpha-adrenergic receptor blockaders|alpha-adrenoceptor antagonists http://purl.obolibrary.org/obo/CHEBI_37890 3_STAR
CHEBI:37894 biolink:ChemicalSubstance 5alpha-androst-16-en-3-one An androstanoid that is 5alpha-androst-16-ene substituted by an oxo group at position 3. It is a steroid pheromone found in high concentrations in the saliva of male pigs,. CAS:18339-16-7|HMDB:HMDB0034406|LIPID_MAPS_instance:LMST02020079|PMID:14568564|PMID:15013816|PMID:18359508|PMID:18684314|PMID:21862238|PMID:23611883|PMID:24184511|PMID:24239507|PMID:4462588|Reaxys:2379783|Wikipedia:Androstenone phenio.json 5alpha-androst-16-en-3-one|androstenone http://purl.obolibrary.org/obo/CHEBI_37894 3_STAR
CHEBI:3790 biolink:ChemicalSubstance cobalt-precorrin-2 KEGG:C11538|MetaCyc:CPD-9039 phenio.json Cobalt-dihydrosirohydrochlorin|Cobalt-precorrin 2|{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-3,7,8,12,13,20-hexahydroporphyrin-2,7,12,18-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt http://purl.obolibrary.org/obo/CHEBI_3790 3_STAR
CHEBI:37902 biolink:ChemicalSubstance methionyl group phenio.json 2-amino-4-(methylsulfanyl)butanoyl|methionyl http://purl.obolibrary.org/obo/CHEBI_37902 3_STAR
CHEBI:37909 biolink:ChemicalSubstance oligosaccharide sulfate Any carbohydrate sulfate that is an oligosaccharide carrying at least one O-sulfo substituent. phenio.json oligosaccharide sulfates http://purl.obolibrary.org/obo/CHEBI_37909 3_STAR
CHEBI:3791 biolink:ChemicalSubstance cobalt-precorrin-3 KEGG:C11539 phenio.json Cobalt-precorrin 3|{3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13,15-trimethyl-3,7,8,12,13,20-hexahydroporphyrin-2,7,12,18-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt http://purl.obolibrary.org/obo/CHEBI_3791 3_STAR
CHEBI:37910 biolink:ChemicalSubstance indene phenio.json indene http://purl.obolibrary.org/obo/CHEBI_37910 3_STAR
CHEBI:37911 biolink:ChemicalSubstance indane An ortho-fused bicyclic hydrocarbon consisting of a benzene ring fused to a cyclopentane ring; a high-boiling (176 (o)C) colourless liquid. Beilstein:1904376|CAS:496-11-7|Gmelin:67817|HMDB:HMDB0059837|PMID:24784750|Reaxys:1904376|Wikipedia:Indane phenio.json 2,3-dihydro-1H-indene|Indan|benzocyclopentane|indane http://purl.obolibrary.org/obo/CHEBI_37911 3_STAR
CHEBI:37912 biolink:ChemicalSubstance hydroxycoumarin Any coumarin carrying at least one hydroxy substituent. phenio.json hydroxycoumarins http://purl.obolibrary.org/obo/CHEBI_37912 3_STAR
CHEBI:37914 biolink:ChemicalSubstance 27-hydroxy steroid phenio.json 27-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_37914 3_STAR
CHEBI:37915 biolink:ChemicalSubstance fluoran Beilstein:33951|CAS:596-24-7 phenio.json 3H-spiro[2-benzofuran-1,9'-xanthen]-3-one|fluoran|spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one|spiro(isobenzofuran-1(3H),9'-xanthen)-3-one http://purl.obolibrary.org/obo/CHEBI_37915 3_STAR
CHEBI:37919 biolink:ChemicalSubstance aryl sulfate phenio.json aryl sulfates http://purl.obolibrary.org/obo/CHEBI_37919 3_STAR
CHEBI:3792 biolink:ChemicalSubstance cobalt-precorrin-4 KEGG:C11540 phenio.json Cobalt-precorrin 4 http://purl.obolibrary.org/obo/CHEBI_3792 3_STAR
CHEBI:37921 biolink:ChemicalSubstance pyridazines phenio.json http://purl.obolibrary.org/obo/CHEBI_37921 3_STAR
CHEBI:37922 biolink:ChemicalSubstance arbekacin A kanamycin that is kanamycin B bearing an N-(2S)-4-amino-2-hydroxybutyryl group on the aminocyclitol ring. CAS:51025-85-5|DrugBank:DB06696|Drug_Central:235|KEGG:D07462|PMID:14982763|PMID:15616309|PMID:15808488|PMID:16569844|PMID:17158944|PMID:18320181|PMID:18362191|Patent:DE2350169|Patent:EP2199280|Patent:US4107424|Reaxys:5895351 phenio.json (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-4-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyloxy)-3-hydroxycyclohexyl]-2-hydroxybutanamide|ABK|arbekacin http://purl.obolibrary.org/obo/CHEBI_37922 3_STAR
CHEBI:37924 biolink:ChemicalSubstance atazanavir A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV). CAS:198904-31-3|DrugBank:DB01072|KEGG:D07471|PMID:15156449|PMID:15353575|PMID:15645003|PMID:15737947|PMID:17376023|PMID:17619250|PMID:18389089|PMID:24108452|PMID:24314017|PMID:25017682|Reaxys:8101951|Wikipedia:Atazanavir phenio.json ATZ|atazanavir|atazanavirum|dimethyl (3S,8S,9S,12S)-9-benzyl-3,12-di-tert-butyl-8-hydroxy-4,11-dioxo-6-[4-(2-pyridyl)benzyl]-2,5,6,10,13-pentaazatetradecanedioate http://purl.obolibrary.org/obo/CHEBI_37924 3_STAR
CHEBI:37925 biolink:ChemicalSubstance androst-16-ene A steroid comprising androstane having a C=C double bond at the 16(17)-position. Beilstein:2262965|CAS:16506-82-4|Reaxys:13995604 phenio.json 16-Androstene|androst-16-ene http://purl.obolibrary.org/obo/CHEBI_37925 3_STAR
CHEBI:37927 biolink:ChemicalSubstance 5alpha-androst-16-ene Beilstein:2557906 phenio.json http://purl.obolibrary.org/obo/CHEBI_37927 3_STAR
CHEBI:37929 biolink:ChemicalSubstance xanthene dye A dye derived by condensation of phthalic anhydride with resorcinol (and derivatives) or m-aminophenol (and derivatives). phenio.json xanthene dyes http://purl.obolibrary.org/obo/CHEBI_37929 3_STAR
CHEBI:37930 biolink:ChemicalSubstance phenothiazine antipsychotic drug phenio.json phenothiazine antipsychotic drugs|phenothiazine antipsychotics|phenothiazine neuroleptics http://purl.obolibrary.org/obo/CHEBI_37930 3_STAR
CHEBI:37931 biolink:ChemicalSubstance 10H-phenothiazine The 10H-tautomer of phenothiazine. CAS:92-84-2|LINCS:LSM-3324|PMID:25382702|PMID:26661932|Reaxys:143237|Wikipedia:Phenothiazine phenio.json 10H-Phenothiazin|10H-phenothiazine|dibenzo-1,4-thiazine|phenothiazine http://purl.obolibrary.org/obo/CHEBI_37931 3_STAR
CHEBI:37932 biolink:ChemicalSubstance phenothiazine phenio.json Phenothiazin|phenothiazine http://purl.obolibrary.org/obo/CHEBI_37932 3_STAR
CHEBI:37933 biolink:ChemicalSubstance 4aH-phenothiazine Beilstein:1211644 phenio.json 4aH-phenothiazine http://purl.obolibrary.org/obo/CHEBI_37933 3_STAR
CHEBI:37934 biolink:ChemicalSubstance 1H-phenothiazine phenio.json 1H-phenothiazine http://purl.obolibrary.org/obo/CHEBI_37934 3_STAR
CHEBI:37935 biolink:ChemicalSubstance 3H-phenothiazine phenio.json 3H-phenothiazine http://purl.obolibrary.org/obo/CHEBI_37935 3_STAR
CHEBI:37937 biolink:ChemicalSubstance bethanidine Beilstein:2088068|Beilstein:2092860|Beilstein:2937259|CAS:55-73-2|DrugBank:DB00217|Drug_Central:359|Patent:GB1084461|Patent:GB1111564|Patent:US3168562|Wikipedia:Bethanidine phenio.json 1-benzyl-2,3-dimethylguanidine|N,N'-dimethyl-N''-(phenylmethyl)-guanidine|betanidina|betanidine|betanidinum http://purl.obolibrary.org/obo/CHEBI_37937 3_STAR
CHEBI:3794 biolink:ChemicalSubstance cobalt-precorrin-6A KEGG:C11542 phenio.json 3,3',3'',3'''-{[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt|Cobalt-precorrin 6|Cobalt-precorrin 6A http://purl.obolibrary.org/obo/CHEBI_3794 3_STAR
CHEBI:37940 biolink:ChemicalSubstance cyclopentapyridine phenio.json cyclopentapyridines http://purl.obolibrary.org/obo/CHEBI_37940 3_STAR
CHEBI:37941 biolink:ChemicalSubstance clopidogrel A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks. Beilstein:8151914|CAS:113665-84-2|DrugBank:DB00758|Drug_Central:708|LINCS:LSM-5415|PMID:10983738|PMID:11095576|PMID:11701941|PMID:16802846|PMID:18520712|PMID:18708826|PMID:19573725|Patent:EP281459|Patent:EP99802|Patent:US4529596|Patent:US4847265|Wikipedia:Clopidogrel phenio.json (+)-Clopidogrel|clopidogrel|clopidogrelum|methyl (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetate http://purl.obolibrary.org/obo/CHEBI_37941 3_STAR
CHEBI:37942 biolink:ChemicalSubstance thienopyridine Any organic heterobicyclic compound whose skeleton results from the formal ortho-fusion of any bond of a pyridine with any bond of a thiophene. phenio.json thienopyridines http://purl.obolibrary.org/obo/CHEBI_37942 3_STAR
CHEBI:37943 biolink:ChemicalSubstance colistin A multi-component mixture comprising mostly of colistin A (R = Me) and B (R = H), with small amounts of colistin C and other polymyxins, produced by certain strains of Bacillus polymyxa var. colistinus. An antibiotic, it is used as its sulfate salt (for oral or topical use) or as the sodium salt of the N-methylsulfonic acid derivative (the injectable form) in the treatment of severe Gram-negative infections, partiularly those due to Pseudomonas aeruginosa. CAS:1066-17-7|CAS:1264-72-8|DrugBank:DB00803|KEGG:C13768|KEGG:D02138|PMID:15825037|PMID:16931410|PMID:17145797|PMID:17562800|PMID:17576842|PMID:17606684|PMID:17620384|PMID:17646423|PMID:17846127|PMID:17876007|PMID:18625681|PMID:25322351|PMID:26252512|PMID:26415906|PMID:26488563|PMID:26730548|PMID:27160031|PMID:27411324|PMID:27480806|PMID:27524102|PMID:27552304|PMID:27684296|PMID:27743779|PMID:27790432|PMID:27793510|PMID:27891118|PMID:27917926|PMID:28018876|PMID:28029008|PMID:28215823|PMID:28257552|PMID:28267594|PMID:28267779|PMID:28300674|PMID:28315729|PMID:28321410 phenio.json Colistin|colistina|colistine|colistinum|polymyxin E http://purl.obolibrary.org/obo/CHEBI_37943 3_STAR
CHEBI:37944 biolink:ChemicalSubstance polysaccharide sulfate Any carbohydrate sulfate that is a polysaccharide carrying at least one O-sulfo substituent. phenio.json polysaccharide sulfates http://purl.obolibrary.org/obo/CHEBI_37944 3_STAR
CHEBI:37946 biolink:ChemicalSubstance dopamine 3-O-sulfate An aryl sulfate that is dopamine in which the phenolic hydrogen at position 3 has been replaced by a sulfo group. CAS:51317-41-0|HMDB:HMDB0006275|KEGG:C13690|LINCS:LSM-37139|MetaCyc:CPD-7649|PMID:1195131|PMID:17548063|PMID:4055948|PMID:571950|PMID:6496664|PMID:938583|Reaxys:2738155 phenio.json 4-(2-aminoethyl)-1,2-benzenediol 2-(hydrogen sulfate)|5-(2-aminoethyl)-2-hydroxyphenyl hydrogen sulfate|Dopamine 3-O-sulfate|Dopamine 3-sulfate|[5-(2-aminoethyl)-2-hydroxyphenyl]oxidanesulfonic acid|dopamine 3-monosulfate http://purl.obolibrary.org/obo/CHEBI_37946 3_STAR
CHEBI:37947 biolink:ChemicalSubstance benzothiazoles phenio.json http://purl.obolibrary.org/obo/CHEBI_37947 3_STAR
CHEBI:37948 biolink:ChemicalSubstance oxaspiro compound A spiro compound in which at least one of the cyclic components is an oxygen heterocyle. phenio.json oxaspiro compounds http://purl.obolibrary.org/obo/CHEBI_37948 3_STAR
CHEBI:37949 biolink:ChemicalSubstance azacycloalkane phenio.json azacycloalkanes http://purl.obolibrary.org/obo/CHEBI_37949 3_STAR
CHEBI:3795 biolink:ChemicalSubstance cobalt-precorrin-8 A cobalt corrinoid that is precorrin-8 in which the four pyrrole-type nitrogens are bound to a central cobalt atom. KEGG:C11545|MetaCyc:CPD-9045|PMID:12429089|PMID:16198574|PMID:16936030 phenio.json 3,3',3'',3'''-{[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,18-tris(carboxymethyl)-1,2,5,7,11,12,15,17-octamethylcorrin-3,8,13,17-tetrayl-kappa(4)N(21),N(22),N(23),N(24)]tetrapropanoato(2-)}cobalt|Cobalt-precorrin 8|cobalt-precorrin-8x http://purl.obolibrary.org/obo/CHEBI_3795 3_STAR
CHEBI:37950 biolink:ChemicalSubstance hexoprenaline phenio.json http://purl.obolibrary.org/obo/CHEBI_37950 1_STAR
CHEBI:37955 biolink:ChemicalSubstance H1-receptor antagonist H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. PMID:22035879 phenio.json H1 antihistaminics|H1 receptor antagonists|H1 receptor blockaders|H1-receptor antagonists|H1-receptor blocker|H1-receptor blockers|classical antihistamines|classical antihistaminics http://purl.obolibrary.org/obo/CHEBI_37955 3_STAR
CHEBI:37956 biolink:ChemicalSubstance histamine antagonist Histamine antagonists are the drugs that bind to but do not activate histamine receptors, thereby blocking the actions of histamine or histamine agonists. PMID:22035879|Wikipedia:Antihistamines phenio.json antihistamine|antihistamines|antihistaminico|antihistaminics|histamine receptor blocker|histamine receptor blockers http://purl.obolibrary.org/obo/CHEBI_37956 3_STAR
CHEBI:37957 biolink:ChemicalSubstance histaminergic drug Drugs used for their actions on histaminergic systems. phenio.json histamine agents|histamine drugs|histaminergic agent|histaminergic agents|histaminergic drugs http://purl.obolibrary.org/obo/CHEBI_37957 3_STAR
CHEBI:37958 biolink:ChemicalSubstance dye phenio.json Farbstoff|Farbstoffe|colorante|colorantes|dyes|teinture|teintures http://purl.obolibrary.org/obo/CHEBI_37958 3_STAR
CHEBI:37961 biolink:ChemicalSubstance H2-receptor antagonist H2-receptor antagonists are the drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of endogenous histamine. phenio.json H2 receptor antagonists|H2 receptor blockaders|H2-receptor blocker|H2-receptor blockers|histamine H2 receptor antagonist|histamine H2 receptor antagonists http://purl.obolibrary.org/obo/CHEBI_37961 3_STAR
CHEBI:37962 biolink:ChemicalSubstance adrenergic agent Any agent that acts on an adrenergic receptor or affects the life cycle of an adrenergic transmitter. phenio.json adrenergic agents|adrenergic drug|adrenergic drugs|adrenergic neuron agents|adrenergics http://purl.obolibrary.org/obo/CHEBI_37962 3_STAR
CHEBI:37963 biolink:ChemicalSubstance pyranone Any of a class of cyclic chemical compounds that contain an unsaturated six-membered ring with one ring oxygen atom and an oxo substituent. phenio.json oxopyrans|pyranone|pyranones|pyrone|pyrones http://purl.obolibrary.org/obo/CHEBI_37963 3_STAR
CHEBI:37965 biolink:ChemicalSubstance 2H-pyran-2-one The simplest member of the class of 2-pyranones that is 2H-pyran with an oxo substituent at position 2. Beilstein:1511|CAS:504-31-4 phenio.json 2-oxo-2H-pyran|2-pyranone|2-pyrone|2H-pyran-2-one|5-hydroxy-2,4-pentadienoic acid delta-lactone|alpha-pyrone|coumalin|pyran-2-one http://purl.obolibrary.org/obo/CHEBI_37965 3_STAR
CHEBI:37996 biolink:ChemicalSubstance organic thiosulfate The organic ester of thiosulfuric acid. phenio.json http://purl.obolibrary.org/obo/CHEBI_37996 3_STAR
CHEBI:37997 biolink:ChemicalSubstance homopolymer macromolecule A macromolecule derived from one species of (real, implicit or hypothetical) monomer. phenio.json homopolymer|homopolymer molecule|homopolymer molecules|homopolymers http://purl.obolibrary.org/obo/CHEBI_37997 3_STAR
CHEBI:38001 biolink:ChemicalSubstance 2,6-diaminopurines Any aminopurine that has amino substituents at positions 2 and 6, and their substituted derivatives. phenio.json 2,6-diaminopurines http://purl.obolibrary.org/obo/CHEBI_38001 3_STAR
CHEBI:38012 biolink:ChemicalSubstance aminoglycoside sulfate salt phenio.json aminoglycoside sulfate salts http://purl.obolibrary.org/obo/CHEBI_38012 3_STAR
CHEBI:38023 biolink:ChemicalSubstance 3-sulfolactic acid The C-sulfonato derivaive of lactic acid. Beilstein:6900115|KEGG:C16069 phenio.json 2-hydroxy-3-sulfopropanoic acid http://purl.obolibrary.org/obo/CHEBI_38023 3_STAR
CHEBI:38024 biolink:ChemicalSubstance carboxyalkyl sulfate phenio.json carboxyalkyl sulfates http://purl.obolibrary.org/obo/CHEBI_38024 3_STAR
CHEBI:38025 biolink:ChemicalSubstance hydroxylamine O-sulfonic acid phenio.json hydroxylamine O-sulfonic acids http://purl.obolibrary.org/obo/CHEBI_38025 3_STAR
CHEBI:38028 biolink:ChemicalSubstance cyanuric acid The enol tautomer of isocyanuric acid. Beilstein:607755|CAS:108-80-5|CAS:504-19-8|Gmelin:217836|HMDB:HMDB0041861|KEGG:C06554|PMID:24304959|PMID:24418618|PMID:25818466|Reaxys:607755|UM-BBD_compID:c0163|Wikipedia:Cyanuric_acid phenio.json 1,3,5-Triazin-2,4,6-triol|1,3,5-triazine-2,4,6-triol|2,4,6-trihydroxy-1,3,5-triazine|Cyanuric acid|Cyanursaeure|Zyanursaeure|cyanurate|s-2,4,6-triazinetriol|s-triazine-2,4,6-triol|sym-triazine-2,4,6-triol|sym-triazinetriol|triazine-2,4,6-triol|tricyanic acid|trihydroxycyanidine http://purl.obolibrary.org/obo/CHEBI_38028 3_STAR
CHEBI:38029 biolink:ChemicalSubstance carbohydrate sulfonate phenio.json carbohydrate sulfonates http://purl.obolibrary.org/obo/CHEBI_38029 3_STAR
CHEBI:38031 biolink:ChemicalSubstance carboxyalkanesulfonic acid phenio.json carboxyalkanesulfonic acids http://purl.obolibrary.org/obo/CHEBI_38031 3_STAR
CHEBI:38032 biolink:ChemicalSubstance carbotricyclic compound A carbopolyclic compound comprising of three carbocyclic rings. phenio.json carbotricyclic compounds http://purl.obolibrary.org/obo/CHEBI_38032 3_STAR
CHEBI:38033 biolink:ChemicalSubstance acenaphthylenes phenio.json http://purl.obolibrary.org/obo/CHEBI_38033 3_STAR
CHEBI:38034 biolink:ChemicalSubstance aminonaphthalene phenio.json aminonaphthalenes http://purl.obolibrary.org/obo/CHEBI_38034 3_STAR
CHEBI:38036 biolink:ChemicalSubstance sulfobenzoate phenio.json sulfobenzoates http://purl.obolibrary.org/obo/CHEBI_38036 3_STAR
CHEBI:38037 biolink:ChemicalSubstance methanesulfonate salt phenio.json mesylate salt|mesylate salts|methanesulfonate salts http://purl.obolibrary.org/obo/CHEBI_38037 3_STAR
CHEBI:38038 biolink:ChemicalSubstance sulfuric amide phenio.json http://purl.obolibrary.org/obo/CHEBI_38038 1_STAR
CHEBI:38044 biolink:ChemicalSubstance trioxane phenio.json trioxane|trioxanes http://purl.obolibrary.org/obo/CHEBI_38044 3_STAR
CHEBI:38060 biolink:ChemicalSubstance triazine insecticide phenio.json http://purl.obolibrary.org/obo/CHEBI_38060 1_STAR
CHEBI:38063 biolink:ChemicalSubstance quinolizines phenio.json http://purl.obolibrary.org/obo/CHEBI_38063 3_STAR
CHEBI:38064 biolink:ChemicalSubstance heteroarenecarboxylate ester phenio.json heteroarenecarboxylate ester|heteroarenecarboxylate esters http://purl.obolibrary.org/obo/CHEBI_38064 3_STAR
CHEBI:38068 biolink:ChemicalSubstance antimalarial A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human. phenio.json antimalarials http://purl.obolibrary.org/obo/CHEBI_38068 3_STAR
CHEBI:38070 biolink:ChemicalSubstance anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. phenio.json anti-arrhythmia agent|antiarrhythmic agent http://purl.obolibrary.org/obo/CHEBI_38070 3_STAR
CHEBI:38071 biolink:ChemicalSubstance 1,3,5-triazine-2,4-diamine Beilstein:113526|CAS:504-08-5 phenio.json 1,3,5-triazine-2,4-diamine|2,4-diamino-s-triazine|2,6-diamino-s-triazine|4,6-diamino-s-triazine|diamino-s-triazine|formoguanamine|guanamine http://purl.obolibrary.org/obo/CHEBI_38071 3_STAR
CHEBI:38074 biolink:ChemicalSubstance 2-chloro-1,3,5-triazine phenio.json 2-chloro-1,3,5-triazine|chloro-s-triazine http://purl.obolibrary.org/obo/CHEBI_38074 3_STAR
CHEBI:38077 biolink:ChemicalSubstance polypyrrole A compound composed of two or more pyrrole units. Beilstein:8538310 phenio.json PPys|poly(pyrrole)s|polypyrroles http://purl.obolibrary.org/obo/CHEBI_38077 3_STAR
CHEBI:38081 biolink:ChemicalSubstance dithiole phenio.json dithioles http://purl.obolibrary.org/obo/CHEBI_38081 3_STAR
CHEBI:38084 biolink:ChemicalSubstance sulfoximide Compounds having the structure RS(=O)=NR. phenio.json sulfoximides|sulfoximines http://purl.obolibrary.org/obo/CHEBI_38084 3_STAR
CHEBI:38085 biolink:ChemicalSubstance 2-benzofuran-1(3H)-one A gamma-lactone that is 1,3-dihydro-2-benzofuran in which the hydrogens at position 1 are replaced by an oxo group. CAS:87-41-2|HMDB:HMDB0032469|PMID:23462848|Reaxys:114632|Wikipedia:Phthalide phenio.json 1(3H)-isobenzofuranone|1-Phthalanone|2-Hydroxymethylbenzoic acid, gamma-lactone|2-benzofuran-1(3H)-one|3-oxo-1,3-dihydro-isobenzofuran|Phthalolactone|isobenzofuranone|phthalide http://purl.obolibrary.org/obo/CHEBI_38085 3_STAR
CHEBI:38089 biolink:ChemicalSubstance 15-hydroxy steroid A hydroxy steroid carrying a hydroxy group at position 15. phenio.json 15-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_38089 3_STAR
CHEBI:38091 biolink:ChemicalSubstance spirostanyl glycoside Any steroid saponin that consists of a spirostan and its substituted derivatives as the aglycone moiety. phenio.json spirostanyl glycoside|spirostanyl glycosides http://purl.obolibrary.org/obo/CHEBI_38091 3_STAR
CHEBI:38092 biolink:ChemicalSubstance cardenolide glycoside Any member of the class of cardenolides with glycosyl residues attached to position 3. phenio.json 5alpha-cardenolide glycoside|5beta-cardenolide glycoside http://purl.obolibrary.org/obo/CHEBI_38092 3_STAR
CHEBI:38093 biolink:ChemicalSubstance phenothiazines phenio.json http://purl.obolibrary.org/obo/CHEBI_38093 3_STAR
CHEBI:38099 biolink:ChemicalSubstance thiadiazoles phenio.json http://purl.obolibrary.org/obo/CHEBI_38099 3_STAR
CHEBI:38101 biolink:ChemicalSubstance organonitrogen heterocyclic compound Any organonitrogen compound containing a cyclic component with nitrogen and at least one other element as ring member atoms. phenio.json heterocyclic organonitrogen compounds|organonitrogen heterocyclic compounds http://purl.obolibrary.org/obo/CHEBI_38101 3_STAR
CHEBI:38102 biolink:ChemicalSubstance triazines Compounds based on a triazine skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_38102 3_STAR
CHEBI:38104 biolink:ChemicalSubstance oxacycle Any organic heterocyclic compound containing at least one ring oxygen atom. PMID:17134300 phenio.json heterocyclic organooxygen compounds|organooxygen heterocyclic compounds|oxacycles http://purl.obolibrary.org/obo/CHEBI_38104 3_STAR
CHEBI:38105 biolink:ChemicalSubstance gitoxigenin Beilstein:96483|CAS:545-26-6 phenio.json 16beta-Hydroxydigitoxigenin|3beta,14,16beta-trihydroxy-5beta-card-20(22)-enolide http://purl.obolibrary.org/obo/CHEBI_38105 3_STAR
CHEBI:38106 biolink:ChemicalSubstance organosulfur heterocyclic compound phenio.json heterocyclic organosulfur compounds|organosulfur heterocyclic compounds http://purl.obolibrary.org/obo/CHEBI_38106 3_STAR
CHEBI:38107 biolink:ChemicalSubstance trans-4-carboxymethylenebut-2-en-4-olide Beilstein:1364582|KEGG:C12838|UM-BBD_compID:c0146 phenio.json (2Z)-(5-oxofuran-2(5H)-ylidene)acetic acid|trans-4-Carboxymethylenebut-2-en-4-olide http://purl.obolibrary.org/obo/CHEBI_38107 3_STAR
CHEBI:38108 biolink:ChemicalSubstance azetidine-2-carboxylic acid An azetidinecarboxylic acid that is azetidine substituted by a carboxy group at position 2. It is a plant non-protein amino acid. Beilstein:108467|Beilstein:80680|HMDB:HMDB0029615|PMID:19101705|Wikipedia:Azetidine-2-carboxylic_acid phenio.json azetidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_38108 3_STAR
CHEBI:38109 biolink:ChemicalSubstance (R)-azetidine-2-carboxylic acid Beilstein:80679 phenio.json (2R)-azetidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_38109 3_STAR
CHEBI:38110 biolink:ChemicalSubstance acyl fluoride A compound consisting of an acyl group bonded to fluorine. phenio.json acid fluoride|acyl fluorides http://purl.obolibrary.org/obo/CHEBI_38110 3_STAR
CHEBI:38111 biolink:ChemicalSubstance benzoindole phenio.json benzoindoles http://purl.obolibrary.org/obo/CHEBI_38111 3_STAR
CHEBI:38112 biolink:ChemicalSubstance phenylmethanesulfonic acid phenio.json http://purl.obolibrary.org/obo/CHEBI_38112 1_STAR
CHEBI:38113 biolink:ChemicalSubstance (R,R,R)-nicotianamine Beilstein:6575168 phenio.json (2R)-1-[(3R)-3-{[(3R)-3-amino-3-carboxypropyl]amino}-3-carboxypropyl]azetidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_38113 3_STAR
CHEBI:38116 biolink:ChemicalSubstance sulfonamidate phenio.json sulfonamidates http://purl.obolibrary.org/obo/CHEBI_38116 3_STAR
CHEBI:38118 biolink:ChemicalSubstance but-2-en-4-olide Beilstein:383585|CAS:497-23-4|Gmelin:773828|KEGG:C17601 phenio.json 2(5H)-furanone|2-buten-4-olide|2-butenolide|2-oxo-2,5-dihydrofuran|4-hydroxy-2-butenoic acid lactone|Butenolide|alpha,beta-crotonolactone|butenolide|furan-2(5H)-one|gamma-Crotonolactone|gamma-crotonolactone|gamma-hydroxycrotonic acid lactone http://purl.obolibrary.org/obo/CHEBI_38118 3_STAR
CHEBI:38119 biolink:ChemicalSubstance brassinin Beilstein:3611293|CAS:105748-59-2 phenio.json Brassinine|methyl (1H-indol-3-ylmethyl)carbamodithioate|methyl (1H-indol-3-ylmethyl)dithiocarbamate http://purl.obolibrary.org/obo/CHEBI_38119 3_STAR
CHEBI:38120 biolink:ChemicalSubstance but-3-en-4-olide Beilstein:1362|CAS:20825-71-2|KEGG:C17602 phenio.json 2(3H)-furanone|2-furanone|2-oxo-2,3-dihydrofuran|4-hydroxy-3-butenoic acid gamma-lactone|alpha-Crotonolactone|alpha-crotonolactone|alpha-furanone|beta,gamma-crotonolactone|furan-2(3H)-one http://purl.obolibrary.org/obo/CHEBI_38120 3_STAR
CHEBI:38122 biolink:ChemicalSubstance 2-chloro-4-carboxymethylenebut-2-en-1,4-olide phenio.json (4-chloro-5-oxofuran-2(5H)-ylidene)acetic acid http://purl.obolibrary.org/obo/CHEBI_38122 3_STAR
CHEBI:38124 biolink:ChemicalSubstance dialdehyde Any aldehyde with two aldehyde groups. phenio.json bialdehyde|bialdehydes|dialdehydes http://purl.obolibrary.org/obo/CHEBI_38124 3_STAR
CHEBI:38127 biolink:ChemicalSubstance thiocarbamic ester Any organonitrogen compound with formula RS-C(=X)NH2 where X = O (monothiocarbamic esters) or S (dithiocarbamic esters), or their N-substituted derivatives. phenio.json thiocarbamate|thiocarbamates|thiocarbamic ester http://purl.obolibrary.org/obo/CHEBI_38127 3_STAR
CHEBI:38128 biolink:ChemicalSubstance monothiocarbamic ester A thiocarbamic ester formally derived from a monothiocarbamic acid. phenio.json carbamothioates|monothiocarbamic ester|thiocarbamates http://purl.obolibrary.org/obo/CHEBI_38128 3_STAR
CHEBI:38129 biolink:ChemicalSubstance dithiocarbamic ester Any ester derived from a member of the class of dithiocarbamic acids by formal replacement of the -SH group by -SR, where R is an organyl group. phenio.json carbamodithioates|carbamodithioic esters|dithiocarbamic ester|dithiocarbamoates http://purl.obolibrary.org/obo/CHEBI_38129 3_STAR
CHEBI:38131 biolink:ChemicalSubstance lactol Cyclic hemiacetals formed by intramolecular addition of a hydroxy group to an aldehydic or ketonic carbonyl group. They are thus 1-oxacycloalkan-2-ols or unsaturated analogues. Wikipedia:Lactol phenio.json lactol|lactols http://purl.obolibrary.org/obo/CHEBI_38131 3_STAR
CHEBI:38133 biolink:ChemicalSubstance naphthalenediol A class of naphthalenediols that consists solely of naphthelene with any two of its hydrogens replaced by hydroxy groups. A 'closed class'. phenio.json dihydroxynaphthelene|dihydroxynaphthelenes|naphthalenediol http://purl.obolibrary.org/obo/CHEBI_38133 3_STAR
CHEBI:38139 biolink:ChemicalSubstance (1S,2R)-1,2-dihydronaphthalene-1,2-diol A cis-1,2-dihydronaphthalene-1,2-diol with a (1S,2R)-configuration. Reaxys:5377369 phenio.json (1S,2R)-1,2-dihydronaphthalene-1,2-diol http://purl.obolibrary.org/obo/CHEBI_38139 3_STAR
CHEBI:3814 biolink:ChemicalSubstance colestipol A high molecular weight copolymer of diethylenetriamine and epichlorohydrin (hydrochloride), with approximately 1 out of 5 amine nitrogens protonated. Due to the highly cross-linked and insoluble nature of the material, no structural formula has been assigned and no specific molecular weight information is available. A basic anion exchange resin, it is used as its hydrochloride for binding bile acids in the intestine, inhibiting their reabsorption. Beilstein:9896237|CAS:26658-42-4|CAS:50925-79-6|DrugBank:DB00375|KEGG:C06925|Patent:US3692895|Patent:US3803237 phenio.json Colestipol|colestipolum http://purl.obolibrary.org/obo/CHEBI_3814 3_STAR
CHEBI:38141 biolink:ChemicalSubstance dihydronaphthalene CAS:29828-28-2 phenio.json dihydronaphthalene http://purl.obolibrary.org/obo/CHEBI_38141 3_STAR
CHEBI:38142 biolink:ChemicalSubstance 1,2-dihydronaphthalene A dihydronaphthalene hydrogenated at C-1 and C-2. CAS:447-53-0|Gmelin:533563|PMID:21721635|Reaxys:1851372 phenio.json 1,2-dialin|1,2-dihydronaphthalene|Delta(1)-dialin http://purl.obolibrary.org/obo/CHEBI_38142 3_STAR
CHEBI:38147 biolink:ChemicalSubstance cardiotonic drug A drug that has a strengthening effect on the heart or that can increase cardiac output. phenio.json cardiotonic drugs http://purl.obolibrary.org/obo/CHEBI_38147 3_STAR
CHEBI:38149 biolink:ChemicalSubstance 19-oxo steroid phenio.json 19-oxo steroids http://purl.obolibrary.org/obo/CHEBI_38149 3_STAR
CHEBI:3815 biolink:ChemicalSubstance Collagen CAS:9064-67-9|KEGG:C00211 phenio.json Collagen http://purl.obolibrary.org/obo/CHEBI_3815 2_STAR
CHEBI:38150 biolink:ChemicalSubstance enterobactin(6-) Gmelin:2491631 phenio.json 3,3',3''-{[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(iminocarbonyl)}tribenzene-1,2-diolate|ent(6-) http://purl.obolibrary.org/obo/CHEBI_38150 3_STAR
CHEBI:38151 biolink:ChemicalSubstance ferrienterobactin An iron chelate that is (3S,7S,11S)-3,7,11-triamino-1,5,9-trioxacyclododecane-2,6,10-trione in which each nitrogen has been acylated by a 2,3-dihydroxybenzoyl group, the six phenolic oxygen atoms being coordinated to Fe(III). CAS:62280-34-6|Gmelin:2492797|Gmelin:2494966|PMID:10515929|PMID:139147|PMID:140161|PMID:146699|PMID:1534808|PMID:153899|PMID:2958600|PMID:3015941|PMID:6223021|PMID:6452414 phenio.json [Fe(H3ent)]|ferric enterochelin|ferrienterochelin|trihydrogen {N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris[2,3-di(hydroxy-kappaO)benzamidato]}ferrate(3-) http://purl.obolibrary.org/obo/CHEBI_38151 3_STAR
CHEBI:38155 biolink:ChemicalSubstance phytosiderophore Any of low-molecular-mass iron(III)-chelating compounds produced by plants for the purpose of the transport and sequestration of iron. phenio.json Phytosiderophor|phytosiderophores http://purl.obolibrary.org/obo/CHEBI_38155 3_STAR
CHEBI:38157 biolink:ChemicalSubstance iron chelator phenio.json iron chelating agent|iron chelating agents|iron chelators http://purl.obolibrary.org/obo/CHEBI_38157 3_STAR
CHEBI:38160 biolink:ChemicalSubstance 3''-deamino-3''-oxonicotianamine Beilstein:7825879|KEGG:C15486 phenio.json (2S)-1-{(3S)-3-carboxy-3-[(3-carboxy-3-oxopropyl)amino]propyl}azetidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_38160 3_STAR
CHEBI:38161 biolink:ChemicalSubstance chelator A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. KEGG:C00917|KEGG:C02169 phenio.json Chelating agent|Metal chelator|chelating agents|chelators|complexon http://purl.obolibrary.org/obo/CHEBI_38161 3_STAR
CHEBI:38163 biolink:ChemicalSubstance organic heterotetracyclic compound phenio.json organic heterotetracyclic compounds http://purl.obolibrary.org/obo/CHEBI_38163 3_STAR
CHEBI:38164 biolink:ChemicalSubstance organic heteropentacyclic compound phenio.json organic heteropentacyclic compounds http://purl.obolibrary.org/obo/CHEBI_38164 3_STAR
CHEBI:38165 biolink:ChemicalSubstance organic heterooctacyclic compound phenio.json organic heterooctacyclic compounds http://purl.obolibrary.org/obo/CHEBI_38165 3_STAR
CHEBI:38166 biolink:ChemicalSubstance organic heteropolycyclic compound phenio.json organic heteropolycyclic compounds http://purl.obolibrary.org/obo/CHEBI_38166 3_STAR
CHEBI:38168 biolink:ChemicalSubstance chloro-1,3,5-triazine A member of the class of 1,3,5-triazines that is 1,3,5-triazine substituted by at least one chloro group at unspecified position. phenio.json chloro-1,3,5-triazines http://purl.obolibrary.org/obo/CHEBI_38168 3_STAR
CHEBI:38169 biolink:ChemicalSubstance monoamino-1,3,5-triazine phenio.json monoamino-1,3,5-triazines http://purl.obolibrary.org/obo/CHEBI_38169 3_STAR
CHEBI:38170 biolink:ChemicalSubstance diamino-1,3,5-triazine Any member of the class of 1,3,5-triazines that consists of a 1,3,5-triazine skeleton substituted by two amino groups. phenio.json diamino-1,3,5-triazines http://purl.obolibrary.org/obo/CHEBI_38170 3_STAR
CHEBI:38172 biolink:ChemicalSubstance monohydroxy-1,3,5-triazine phenio.json monohydroxy-1,3,5-triazines http://purl.obolibrary.org/obo/CHEBI_38172 3_STAR
CHEBI:38173 biolink:ChemicalSubstance dihydroxy-1,3,5-triazine phenio.json dihydroxy-1,3,5-triazines http://purl.obolibrary.org/obo/CHEBI_38173 3_STAR
CHEBI:38175 biolink:ChemicalSubstance triamino-1,3,5-triazine phenio.json triamino-1,3,5-triazines http://purl.obolibrary.org/obo/CHEBI_38175 3_STAR
CHEBI:38178 biolink:ChemicalSubstance strophanthidin Beilstein:97859|CAS:66-28-4|LINCS:LSM-3891 phenio.json 3beta,5,14-trihydroxy-19-oxo-5beta-card-20(22)-enolide|5beta-Hydroxy-19-oxodigitoxigenin|Convallatoxigenin|Corchorgenin|Corchorin|Corchoside A aglycon|Corchsularin|Erysimupicrone|Strophanthidin K|Strophanthidine http://purl.obolibrary.org/obo/CHEBI_38178 3_STAR
CHEBI:38179 biolink:ChemicalSubstance monocyclic heteroarene phenio.json monocyclic heteroarenes http://purl.obolibrary.org/obo/CHEBI_38179 3_STAR
CHEBI:38180 biolink:ChemicalSubstance polycyclic heteroarene phenio.json polycyclic heteroarenes http://purl.obolibrary.org/obo/CHEBI_38180 3_STAR
CHEBI:38181 biolink:ChemicalSubstance pyridinemonocarboxylate A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of a pyridinemonocarboxylic acid. A 'closed class'. phenio.json pyridinemonocarboxylates http://purl.obolibrary.org/obo/CHEBI_38181 3_STAR
CHEBI:38182 biolink:ChemicalSubstance monohydroxypyridine A hydroxypyridine carrying a single hydroxy substituent. phenio.json monohydroxypyridines http://purl.obolibrary.org/obo/CHEBI_38182 3_STAR
CHEBI:38183 biolink:ChemicalSubstance pyridone phenio.json pyridones http://purl.obolibrary.org/obo/CHEBI_38183 3_STAR
CHEBI:38184 biolink:ChemicalSubstance picolinate A pyridinemonocarboxylate resulting from the removal of a proton from the carboxy group of picolinic acid. MetaCyc:PICOLINATE phenio.json picolinate|pyridine-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_38184 3_STAR
CHEBI:38186 biolink:ChemicalSubstance isonicotinate A pyridinemonocarboxylate resulting from the deprotonation of the carboxy group of isonicotinic acid. MetaCyc:CPD-13335 phenio.json 4-picolinate|4-pyridinecarboxylate|gamma-picolinate|pyridine-4-carboxylate http://purl.obolibrary.org/obo/CHEBI_38186 3_STAR
CHEBI:38187 biolink:ChemicalSubstance pyridinecarbaldehyde phenio.json pyridinecarbaldehydes http://purl.obolibrary.org/obo/CHEBI_38187 3_STAR
CHEBI:38188 biolink:ChemicalSubstance pyridinium salt phenio.json pyridinium salts http://purl.obolibrary.org/obo/CHEBI_38188 3_STAR
CHEBI:38193 biolink:ChemicalSubstance phenylpyridine phenio.json phenylpyridines http://purl.obolibrary.org/obo/CHEBI_38193 3_STAR
CHEBI:38194 biolink:ChemicalSubstance 5alpha-hydroxy steroid phenio.json 5alpha-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_38194 3_STAR
CHEBI:38195 biolink:ChemicalSubstance 5beta-hydroxy steroid phenio.json 5beta-hydroxy steroids http://purl.obolibrary.org/obo/CHEBI_38195 3_STAR
CHEBI:38196 biolink:ChemicalSubstance hydroxymethylpyridine Any member of the class of pyridines carrying a hydroxymethyl substituent at unspecified position. phenio.json hydroxymethylpyridines http://purl.obolibrary.org/obo/CHEBI_38196 3_STAR
CHEBI:38197 biolink:ChemicalSubstance furopyridine An organic heterobicyclic compound whose skeleton consists of a furan ring ortho-fused to a pyridine ring. phenio.json furopyridines http://purl.obolibrary.org/obo/CHEBI_38197 3_STAR
CHEBI:38198 biolink:ChemicalSubstance aminoalkylpyridine phenio.json aminoalkylpyridines http://purl.obolibrary.org/obo/CHEBI_38198 3_STAR
CHEBI:38200 biolink:ChemicalSubstance astilbin A flavanone glycoside that is (+)-taxifolin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. CAS:29838-67-3|HMDB:HMDB0033850|PMID:21157633|PMID:21476602|PMID:21600261|PMID:21614752|Reaxys:100564|Wikipedia:Astilbin phenio.json (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one|(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside|(2R,3R)-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-4H-1-benzopyran-4-one|dihydroquercetin-3-O-alpha-LRhap http://purl.obolibrary.org/obo/CHEBI_38200 3_STAR
CHEBI:38201 biolink:ChemicalSubstance bacteriochlorophyll Chlorophylls of photosynthetic bacteria. KEGG:C05799 phenio.json Bacterio-chlorophylls|a bacteriochlorophyll|bacteriochlorophyll|bacteriochlorophylls http://purl.obolibrary.org/obo/CHEBI_38201 3_STAR
CHEBI:38206 biolink:ChemicalSubstance chlorophyllide Chlorophylls lacking the terpenoid side chain such as phytyl or farnesyl. phenio.json Chlorophyllid|chlorophyllides http://purl.obolibrary.org/obo/CHEBI_38206 3_STAR
CHEBI:38207 biolink:ChemicalSubstance aminopyridine Compounds containing a pyridine skeleton substituted by one or more amine groups. phenio.json aminopyridines http://purl.obolibrary.org/obo/CHEBI_38207 3_STAR
CHEBI:38208 biolink:ChemicalSubstance aminoacylpyridine phenio.json aminoacylpyridines http://purl.obolibrary.org/obo/CHEBI_38208 3_STAR
CHEBI:38209 biolink:ChemicalSubstance chlorophyllide b Beilstein:10054580|Beilstein:8967487|CAS:14428-12-7|KEGG:C16541 phenio.json Chlorophyllid b|chlorophyllide b http://purl.obolibrary.org/obo/CHEBI_38209 3_STAR
CHEBI:38215 biolink:ChemicalSubstance calcium channel blocker One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools. phenio.json calcium channel antagonist|calcium channel antagonists|calcium channel blockers http://purl.obolibrary.org/obo/CHEBI_38215 3_STAR
CHEBI:38216 biolink:ChemicalSubstance 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) Beilstein:1838279|Gmelin:340935 phenio.json 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) http://purl.obolibrary.org/obo/CHEBI_38216 3_STAR
CHEBI:38217 biolink:ChemicalSubstance 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid) Beilstein:741249|Gmelin:287844 phenio.json 3,3'-(biphenyl-4,4'-diyldidiazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonic acid)|congo red http://purl.obolibrary.org/obo/CHEBI_38217 3_STAR
CHEBI:38218 biolink:ChemicalSubstance isophthalonitrile Beilstein:2038364|CAS:626-17-5 phenio.json 1,3-Benzenedicarbonitrile|1,3-Dicyanobenzene|3-Cyanobenzonitrile|IPN|Isophthalodinitrile|benzene-1,3-dicarbonitrile|m-Dicyanobenzene http://purl.obolibrary.org/obo/CHEBI_38218 3_STAR
CHEBI:38222 biolink:ChemicalSubstance hydrocarbyl anion phenio.json http://purl.obolibrary.org/obo/CHEBI_38222 1_STAR
CHEBI:38224 biolink:ChemicalSubstance fumonisin A family of toxins produced by several species of Fusarium moulds which occur mainly in maize. phenio.json fumonisin|fumonisins http://purl.obolibrary.org/obo/CHEBI_38224 3_STAR
CHEBI:38226 biolink:ChemicalSubstance 1,2-dithiolane Beilstein:102454|CAS:557-22-2|Gmelin:1029938 phenio.json 1,2-dithiacyclopentane|1,2-dithiolane http://purl.obolibrary.org/obo/CHEBI_38226 3_STAR
CHEBI:38231 biolink:ChemicalSubstance phytotoxin Any toxin produced by a plant. phenio.json phytotoxins http://purl.obolibrary.org/obo/CHEBI_38231 3_STAR
CHEBI:38234 biolink:ChemicalSubstance DNA polymerase inhibitor Any inhibitor of a DNA polymerase. phenio.json http://purl.obolibrary.org/obo/CHEBI_38234 3_STAR
CHEBI:38247 biolink:ChemicalSubstance (R)-3-hydroxypalmitic acid Beilstein:3606044 phenio.json (3R)-3-hydroxyhexadecanoic acid|(R)-beta-hydroxypalmitic acid http://purl.obolibrary.org/obo/CHEBI_38247 3_STAR
CHEBI:38251 biolink:ChemicalSubstance magnesium tetrapyrrole phenio.json magnesium tetrapyrroles http://purl.obolibrary.org/obo/CHEBI_38251 3_STAR
CHEBI:38252 biolink:ChemicalSubstance phorbines phenio.json http://purl.obolibrary.org/obo/CHEBI_38252 1_STAR
CHEBI:38254 biolink:ChemicalSubstance pheophorbide phenio.json Phaeophorbid|pheophorbide|pheophorbides http://purl.obolibrary.org/obo/CHEBI_38254 3_STAR
CHEBI:38257 biolink:ChemicalSubstance pheophorbide a Beilstein:1208052|Beilstein:75385|CAS:15664-29-6|Chemspider:10343120|FooDB:FDB031104|KEGG:C18021|PMID:14973080|PMID:29518390|PMID:33625682|PMID:7304926|Wikipedia:Pheophorbide_A phenio.json (2(2)R,17S,18S)-7-ethyl-2(1),2(2),17,18-tetrahydro-2(2)-(methoxycarbonyl)-3,8,13,17-tetramethyl-2(1)-oxo-12-ethenylcyclopenta[at]porphyrin-18-propanoic acid|(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoic acid|3-[(3S,4S,21R)-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbin-3-yl]propanoic acid|3-[(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl]propanoic acid|Phaeophorbid a|Phaeophorbid-a|pheophorbide a http://purl.obolibrary.org/obo/CHEBI_38257 3_STAR
CHEBI:38259 biolink:ChemicalSubstance divinyl chlorophyllide a Beilstein:9984505|KEGG:C11832 phenio.json Divinyl chlorophyllide a|{3-[(3S,4S,21R)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9,14-divinylphorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium|{3-[(3S,4S,21R)-9,14-diethenyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(2-)}magnesium http://purl.obolibrary.org/obo/CHEBI_38259 3_STAR
CHEBI:38260 biolink:ChemicalSubstance pyrrolidines Any of a class of heterocyclic amines having a saturated five-membered ring. phenio.json http://purl.obolibrary.org/obo/CHEBI_38260 3_STAR
CHEBI:38261 biolink:ChemicalSubstance imidazolidines phenio.json http://purl.obolibrary.org/obo/CHEBI_38261 3_STAR
CHEBI:38262 biolink:ChemicalSubstance allothreonine Beilstein:6565321|CAS:144-98-9|MetaCyc:ALLO-THR phenio.json allothreonine|rel-(2R,3R)-2-amino-3-hydroxybutanoic acid http://purl.obolibrary.org/obo/CHEBI_38262 3_STAR
CHEBI:38263 biolink:ChemicalSubstance 2-amino-3-hydroxybutanoic acid An alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3. Beilstein:1098902 phenio.json 2-amino-3-hydroxybutanoic acid http://purl.obolibrary.org/obo/CHEBI_38263 3_STAR
CHEBI:38264 biolink:ChemicalSubstance 2-amino-3-methylpentanoic acid A branched chain amino acid that consists of 3-methylpentanoic acid bearing an amino substituent at position 2. CAS:443-79-8|KEGG:C16434|PMID:10944265|Reaxys:1721790 phenio.json 2-amino-3-methylpentanoic acid http://purl.obolibrary.org/obo/CHEBI_38264 3_STAR
CHEBI:38265 biolink:ChemicalSubstance carvone A p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively. CAS:99-49-0|Gmelin:102300|MetaCyc:Carvones|PMID:16638680|PMID:19876560|PMID:20233552|PMID:21428701|Reaxys:1364206|Wikipedia:Carvone phenio.json 1-carvone|2-methyl-5-(1-methyl-1-ethenyl)-2-cyclohexen-1-one|2-methyl-5-(1-methylethenyl)-2-cyclohexen-1-one|2-methyl-5-(prop-1-en-2-yl)cyclohex-2-en-1-one|2-methyl-5-(prop-1-en-2-yl)cyclohex-2-enone|2-methyl-5-isopropenyl-2-cyclohexenone|5-isopropenyl-2-methylcyclohex-2-en-1-one|Carvon|Karvon|carvol|carvone|p-mentha-1(6),8-dien-2-one|p-mentha-6,8-dien-2-one http://purl.obolibrary.org/obo/CHEBI_38265 3_STAR
CHEBI:38266 biolink:ChemicalSubstance O-beta-D-glucosyl-trans-zeatin The trans-isomer of O-beta-D-glucosylzeatin. AGR:IND44798007|KEGG:C03423|PMID:15453426|PMID:19471203|Reaxys:1231100 phenio.json (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-yl beta-D-glucopyranoside|O-beta-D-Glucosyl-trans-zeatin|O-beta-D-Glucosylzeatin|O-beta-D-glucosyl-trans-zeatin|trans-Zeatin-O-glucoside http://purl.obolibrary.org/obo/CHEBI_38266 3_STAR
CHEBI:38267 biolink:ChemicalSubstance boronic acid The simplest boronic acid, consisting of borane with two of the hydrogens substituted by hydroxy groups. CAS:13780-71-7|Gmelin:141308|Reaxys:11573126 phenio.json BH(OH)2|boronic acid|dihydroxyborane|hydridodihydroxidoboron http://purl.obolibrary.org/obo/CHEBI_38267 3_STAR
CHEBI:38269 biolink:ChemicalSubstance boronic acids Compounds having the structure RB(OH)2. Wikipedia:Boronic_acid phenio.json boronic acids http://purl.obolibrary.org/obo/CHEBI_38269 3_STAR
CHEBI:38275 biolink:ChemicalSubstance pyrrolidinone phenio.json pyrrolidinones http://purl.obolibrary.org/obo/CHEBI_38275 3_STAR
CHEBI:3828 biolink:ChemicalSubstance (R)-columbianetin The (R)-(-)-enantiomer of columbianetin. CAS:52842-47-4|KEGG:C09210|KNApSAcK:C00002459|Reaxys:5031046 phenio.json (-)-columbianetin|(8R)-8,9-dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]1-benzopyran-2-one|(8R)-8-(2-hydroxypropan-2-yl)-8,9-dihydro-2H-furo[2,3-h]chromen-2-one http://purl.obolibrary.org/obo/CHEBI_3828 3_STAR
CHEBI:38290 biolink:ChemicalSubstance L-ascorbate The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants. Beilstein:3549814|CAS:299-36-5|Chemspider:10239162|Gmelin:506552|KEGG:C00072|MetaCyc:ASCORBATE|PMID:18450228|PMID:18678913|PMID:19162177|PMID:9506998 phenio.json (2R)-2-[(1S)-1,2-dihydroxyethyl]-4-hydroxy-5-oxo-2,5-dihydrofuran-3-olate|Ascorbate|L-Ascorbate|L-ascorbate|L-ascorbate(1-)|L-ascorbic acid, ion(1-)|Vitamin C http://purl.obolibrary.org/obo/CHEBI_38290 3_STAR
CHEBI:38291 biolink:ChemicalSubstance dihydrostreptomycin Beilstein:73785|CAS:128-46-1|KEGG:C01023|KEGG:D07840 phenio.json 1,1'-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine|DHMS|DST|Dihydrostreptomycin|N,N'''-[(1R,2R,3S,4R,5R,6S)-4-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-(hydroxymethyl)-alpha-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine http://purl.obolibrary.org/obo/CHEBI_38291 3_STAR
CHEBI:38295 biolink:ChemicalSubstance azabicycloalkane phenio.json azabicycloalkanes http://purl.obolibrary.org/obo/CHEBI_38295 3_STAR
CHEBI:38296 biolink:ChemicalSubstance cyclopentapyrrole phenio.json cyclopentapyrroles http://purl.obolibrary.org/obo/CHEBI_38296 3_STAR
CHEBI:38297 biolink:ChemicalSubstance thiabicycloalkane phenio.json thiabicycloalkanes http://purl.obolibrary.org/obo/CHEBI_38297 3_STAR
CHEBI:38298 biolink:ChemicalSubstance benzodioxoles phenio.json http://purl.obolibrary.org/obo/CHEBI_38298 3_STAR
CHEBI:3830 biolink:ChemicalSubstance camphene A monoterpene with a bicyclic skeleton that is bicyclo[2.2.1]heptane substituted by geminal methyl groups at position 2 and a methylidene group at position 3. It is a widespread natural product found in many essential oils. BPDB:2109|CAS:79-92-5|HMDB:HMDB0059839|KEGG:C06076|KNApSAcK:C00003029|PMID:15949824|PMID:23513745|Reaxys:1903765|Wikipedia:Camphene phenio.json 2,2-dimethyl-3-methylenebicyclo[2.2.1]heptane|2,2-dimethyl-3-methylenenorbornane|2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane|3,3-dimethyl-2-methylenenorbornane|3,3-dimethyl-2-methylenenorcamphane|Camphene|Comphene|camphene http://purl.obolibrary.org/obo/CHEBI_3830 3_STAR
CHEBI:38303 biolink:ChemicalSubstance azirinopyrroloindole phenio.json azirinopyrroloindoles http://purl.obolibrary.org/obo/CHEBI_38303 3_STAR
CHEBI:38304 biolink:ChemicalSubstance diazolidine phenio.json diazolidines http://purl.obolibrary.org/obo/CHEBI_38304 3_STAR
CHEBI:38305 biolink:ChemicalSubstance gibberellin monocarboxylic acid phenio.json gibberellin monocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_38305 3_STAR
CHEBI:38306 biolink:ChemicalSubstance imidazole-4-carboxylic acid phenio.json imidazole-4-carboxylic acids http://purl.obolibrary.org/obo/CHEBI_38306 3_STAR
CHEBI:38307 biolink:ChemicalSubstance imidazolyl carboxylic acid Any member of the class of imidazoles in which the imidazole ring is substituted by one (or more) carboxy group(s). phenio.json imidazolyl carboxylic acids http://purl.obolibrary.org/obo/CHEBI_38307 3_STAR
CHEBI:38308 biolink:ChemicalSubstance N-acylimidazole phenio.json N-acylimidazoles http://purl.obolibrary.org/obo/CHEBI_38308 3_STAR
CHEBI:38309 biolink:ChemicalSubstance GDP-beta-S CAS:71376-97-1 phenio.json Gdp(beta-S)|Guanosine 5'-O-(2-thiodiphosphate)|Guanyl-5'-yl thiophosphate|guanosine 5'-(trihydrogen 3-thiodiphosphate) http://purl.obolibrary.org/obo/CHEBI_38309 3_STAR
CHEBI:38310 biolink:ChemicalSubstance nucleoside diphosphate analogue phenio.json nucleoside diphosphate analogue|nucleoside diphosphate analogues http://purl.obolibrary.org/obo/CHEBI_38310 3_STAR
CHEBI:38311 biolink:ChemicalSubstance cephem phenio.json cephems http://purl.obolibrary.org/obo/CHEBI_38311 3_STAR
CHEBI:38312 biolink:ChemicalSubstance pyrazolidines phenio.json http://purl.obolibrary.org/obo/CHEBI_38312 3_STAR
CHEBI:38313 biolink:ChemicalSubstance diazines Any organic heterocyclic compound containing a benzene ring in which two of the C-H fragments have been replaced by isolobal nitrogens (the diazine parent structure). phenio.json http://purl.obolibrary.org/obo/CHEBI_38313 3_STAR
CHEBI:38314 biolink:ChemicalSubstance pyrazines phenio.json http://purl.obolibrary.org/obo/CHEBI_38314 3_STAR
CHEBI:38315 biolink:ChemicalSubstance beta-D-arabinoside phenio.json beta-D-arabinosides http://purl.obolibrary.org/obo/CHEBI_38315 3_STAR
CHEBI:38316 biolink:ChemicalSubstance pyrimidinecarboxylate anion phenio.json pyrimidinecarboxylate anions http://purl.obolibrary.org/obo/CHEBI_38316 3_STAR
CHEBI:38317 biolink:ChemicalSubstance EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitor An EC 1.13.11.* (oxidoreductase acting on single donors and incorporating 2 atoms of oxygen) inhibitor that interferes with the activity of 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27). phenio.json 4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27) inhibitor|4-hydroxyphenylpyruvate dioxygenase (EC 1.13.11.27) inhibitors|4-hydroxyphenylpyruvate dioxygenase inhibitor|4-hydroxyphenylpyruvate dioxygenase inhibitors|4-hydroxyphenylpyruvate hydroxylase inhibitor|4-hydroxyphenylpyruvate hydroxylase inhibitors|4-hydroxyphenylpyruvate:oxygen oxidoreductase (hydroxylating, decarboxylating) inhibitor|4-hydroxyphenylpyruvate:oxygen oxidoreductase (hydroxylating, decarboxylating) inhibitors|4-hydroxyphenylpyruvic acid dioxygenase inhibitor|4-hydroxyphenylpyruvic acid dioxygenase inhibitors|EC 1.13.11.27 (4-hydroxyphenylpyruvate dioxygenase) inhibitors|EC 1.13.11.27 inhibitor|EC 1.13.11.27 inhibitors|HPPD inhibitor|HPPD inhibitors|p-hydroxyphenylpyruvate dioxygenase inhibitor|p-hydroxyphenylpyruvate dioxygenase inhibitors|p-hydroxyphenylpyruvate hydroxylase inhibitor|p-hydroxyphenylpyruvate hydroxylase inhibitors|p-hydroxyphenylpyruvate oxidase inhibitor|p-hydroxyphenylpyruvate oxidase inhibitors|p-hydroxyphenylpyruvic acid hydroxylase inhibitor|p-hydroxyphenylpyruvic acid hydroxylase inhibitors|p-hydroxyphenylpyruvic hydroxylase inhibitor|p-hydroxyphenylpyruvic hydroxylase inhibitors|p-hydroxyphenylpyruvic oxidase inhibitor|p-hydroxyphenylpyruvic oxidase inhibitors http://purl.obolibrary.org/obo/CHEBI_38317 3_STAR
CHEBI:38319 biolink:ChemicalSubstance usnic acid A member of the class of dibenzofurans that is dibenzo[b,d]furan-1(9bH)-one substituted by acetyl groups at positions 2 and 6, hydroxy groups at positions 3 and 7 and methyl groups at positions 8 and 9b. Beilstein:346490|CAS:125-46-2|PMID:11034349|PMID:18887895|PMID:19034791|PMID:19349177|PMID:20379653|PMID:24770718|Reaxys:96699|Wikipedia:Usnic_acid phenio.json 2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one|Usninsaeure|usnein|usniacin|usninic acid http://purl.obolibrary.org/obo/CHEBI_38319 3_STAR
CHEBI:38320 biolink:ChemicalSubstance (+)-usnic acid Beilstein:4272511|Beilstein:4765696|CAS:7562-61-0 phenio.json (9bR)-2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyldibenzo[b,d]furan-1(9bH)-one|(R)-usnic acid|d-Usnic acid|d-Usninic acid http://purl.obolibrary.org/obo/CHEBI_38320 3_STAR
CHEBI:38321 biolink:ChemicalSubstance mesotrione An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group. CAS:104206-82-8|PMID:11455642|PMID:20692682|PPDB:442|Patent:WO2011016018|Pesticides:mesotrione|Reaxys:8999656|Wikipedia:Mesotrione phenio.json (2-nitro-4-(methylsullfonyl))benzoylcyclohexane-1,3-dione|2-(2'-nitro-4'-methylsulfonylbenzoyl)cyclohexane-1,3-dione|2-(4-methylsulphonyl-2-nitrobenzoyl)-1,3-cyclohexanedione|2-[4-(methanesulfonyl)-2-nitrobenzoyl]cyclohexane-1,3-dione|2-[4-(methylsulfonyl)-2-nitrobenzoyl]-1,3-cyclohexanedione|Tenacity http://purl.obolibrary.org/obo/CHEBI_38321 3_STAR
CHEBI:38322 biolink:ChemicalSubstance oxotremorine M Beilstein:1532398|CAS:63939-65-1 phenio.json N,N,N-trimethyl-4-(2-oxopyrrolidin-1-yl)but-2-yn-1-aminium|oxotremorine-M http://purl.obolibrary.org/obo/CHEBI_38322 3_STAR
CHEBI:38323 biolink:ChemicalSubstance cholinergic drug Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons. phenio.json cholinergic agent|cholinergic drugs|cholinomimetic http://purl.obolibrary.org/obo/CHEBI_38323 3_STAR
CHEBI:38324 biolink:ChemicalSubstance cholinergic agonist Any drug that binds to and activates cholinergic receptors. phenio.json acetylcholine agonist|acetylcholine agonists|acetylcholine receptor agonist|cholinergic agonists|cholinomimetic|cholinomimetics http://purl.obolibrary.org/obo/CHEBI_38324 3_STAR
CHEBI:38325 biolink:ChemicalSubstance muscarinic agonist Any drug that binds to and activates a muscarinic cholinergic receptor. phenio.json muscarinic acetylcholine receptor agonist|muscarinic agonists|muscarinic cholinergic agonist|muscarinic cholinergic agonists http://purl.obolibrary.org/obo/CHEBI_38325 3_STAR
CHEBI:38326 biolink:ChemicalSubstance thiazine phenio.json thiazines http://purl.obolibrary.org/obo/CHEBI_38326 3_STAR
CHEBI:38329 biolink:ChemicalSubstance oxazolidines phenio.json http://purl.obolibrary.org/obo/CHEBI_38329 3_STAR
CHEBI:38333 biolink:ChemicalSubstance thiazolidine A saturated organic heteromonocyclic parent comprising a five-membered ring with a sulfur at position 1 and a nitrogen at either position 2 or 3. PMID:7716788 phenio.json thiazolidines http://purl.obolibrary.org/obo/CHEBI_38333 3_STAR
CHEBI:38335 biolink:ChemicalSubstance dithiolane phenio.json dithiolane http://purl.obolibrary.org/obo/CHEBI_38335 3_STAR
CHEBI:38336 biolink:ChemicalSubstance dithiolanecarboxylic acid phenio.json dithiolanecarboxylic acids http://purl.obolibrary.org/obo/CHEBI_38336 3_STAR
CHEBI:38337 biolink:ChemicalSubstance pyrimidone A pyrimidine carrying one or more oxo substituents. phenio.json pyrimidones http://purl.obolibrary.org/obo/CHEBI_38337 3_STAR
CHEBI:38338 biolink:ChemicalSubstance aminopyrimidine A member of the class of pyrimidines that is pyrimidine substituted by at least one amino group and its derivatives. phenio.json aminopyrimidines http://purl.obolibrary.org/obo/CHEBI_38338 3_STAR
CHEBI:38339 biolink:ChemicalSubstance formamidopyrimidine phenio.json formamidopyrimidines http://purl.obolibrary.org/obo/CHEBI_38339 3_STAR
CHEBI:38340 biolink:ChemicalSubstance hydroxypyrimidine phenio.json hydroxypyrimidines http://purl.obolibrary.org/obo/CHEBI_38340 3_STAR
CHEBI:38355 biolink:ChemicalSubstance hex-4-enoic acid A hexenoic acid with the double bond at position 4. Beilstein:1720995|LIPID_MAPS_instance:LMFA01030010 phenio.json 4-hexenoic acid|4-hexenoic acids|gamma-hexenoic acid|gamma-hexenoic acids|hex-4-enoic acid|hex-4-enoic acids http://purl.obolibrary.org/obo/CHEBI_38355 3_STAR
CHEBI:38363 biolink:ChemicalSubstance hept-6-enoic acid A heptenoic acid with the double bond at position 6. CAS:1119-60-4|LIPID_MAPS_instance:LMFA01030016 phenio.json 6-heptenoic acid|6-heptenoic acids|epsilon-heptenoic acid|epsilon-heptenoic acids|hept-6-enoic acid|hept-6-enoic acids http://purl.obolibrary.org/obo/CHEBI_38363 3_STAR
CHEBI:38371 biolink:ChemicalSubstance 2-dodecenoic acid A dodecenoic acid having its double bond at position 2. CAS:4412-16-2 phenio.json 12:1|2-Dodecensaeure|2-dodecenoic acids|C12:1|Dodec-2-ensaeure|dodec-2-enoic acid|dodec-2-enoic acids http://purl.obolibrary.org/obo/CHEBI_38371 3_STAR
CHEBI:38382 biolink:ChemicalSubstance 9,11,13-octadecatrienoic acid Any octadecatrienoic acid with three fully-conjugated double bonds at positions 9, 11 and 13. CAS:13296-76-9|Reaxys:14352653 phenio.json 9,11,13-octadecatrienoic acids|C18:3 n-5,7,9|eleostearic acid|n-9-octadecatrienoic acid|octadeca-9,11,13-trienoic acid|octadeca-9,11,13-trienoic acids http://purl.obolibrary.org/obo/CHEBI_38382 3_STAR
CHEBI:38387 biolink:ChemicalSubstance 9,11,15-octadecatrienoic acid Any octadecatrienoic acid with three double bonds at positions 9, 11 and 15. phenio.json 9,11,15-Octadecatriensaeure|9,11,15-octadecatrienoic acids|C18:3, n-3,7,9|Octadeca-9,11,15-triensaeure|octadeca-9,11,15-trienoic acid|octadeca-9,11,15-trienoic acids http://purl.obolibrary.org/obo/CHEBI_38387 3_STAR
CHEBI:38390 biolink:ChemicalSubstance 9,11,15-octadecatrienoate Any octadecatrienoate having double bonds at positions 9, 11 and 15. phenio.json 9,11,15-octadecatrienoates|octadeca-9,11,15-trienoate|octadeca-9,11,15-trienoates http://purl.obolibrary.org/obo/CHEBI_38390 3_STAR
CHEBI:38393 biolink:ChemicalSubstance octadeca-9,11-dienoate phenio.json 9,11-octadecadienoate|octadeca-9,11-dienoate http://purl.obolibrary.org/obo/CHEBI_38393 3_STAR
CHEBI:38407 biolink:ChemicalSubstance muconic acid A hexadienedioic acid with unsaturation at positions 2 and 4. Beilstein:1722248|Beilstein:1756239|CAS:505-70-4|PMID:23079953|PMID:23164574|PMID:24657371|PMID:24751381 phenio.json 1,3-butadiene-1,4-dicarboxylic acid|2,4-hexadienedioic acid|butadiene-1,4-dicarboxylic acid|hexa-2,4-dienedioic acid http://purl.obolibrary.org/obo/CHEBI_38407 3_STAR
CHEBI:38408 biolink:ChemicalSubstance chloromuconic acid A chlorocarboxylic acid that is muconic acid substituted by at least one chloro group. phenio.json chloromuconic acids http://purl.obolibrary.org/obo/CHEBI_38408 3_STAR
CHEBI:38409 biolink:ChemicalSubstance 2,4-dichloromuconic acid phenio.json 2,4-dichloro-2,4-hexadienedioic acid|2,4-dichlorohexa-2,4-dienedioic acid http://purl.obolibrary.org/obo/CHEBI_38409 3_STAR
CHEBI:38411 biolink:ChemicalSubstance chlorocarboxylic acid anion phenio.json chlorocarboxylic acid anion|chlorocarboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_38411 3_STAR
CHEBI:38412 biolink:ChemicalSubstance 2,4-dichloromuconate(2-) phenio.json 2,4-dichlorohexa-2,4-dienedioate|2,4-dichloromuconate http://purl.obolibrary.org/obo/CHEBI_38412 3_STAR
CHEBI:38418 biolink:ChemicalSubstance 1,3-thiazoles phenio.json 1,3-thiazoles http://purl.obolibrary.org/obo/CHEBI_38418 3_STAR
CHEBI:38419 biolink:ChemicalSubstance saturated organic heterobicyclic parent phenio.json saturated organic heterobicyclic parents http://purl.obolibrary.org/obo/CHEBI_38419 3_STAR
CHEBI:38422 biolink:ChemicalSubstance dichloromuconic acid phenio.json dichlorohexa-2,4-dienedioic acid http://purl.obolibrary.org/obo/CHEBI_38422 3_STAR
CHEBI:38424 biolink:ChemicalSubstance dichloromuconate(2-) phenio.json dichlorohexa-2,4-dienedioate|dichloromuconate http://purl.obolibrary.org/obo/CHEBI_38424 3_STAR
CHEBI:38428 biolink:ChemicalSubstance 3-chloromuconic acid A monochloromuconic acid carrying a chloro group at position 3. CAS:20665-95-6 phenio.json 3-chloro-2,4-hexadienedioic acid|3-chlorohexa-2,4-dienedioic acid http://purl.obolibrary.org/obo/CHEBI_38428 3_STAR
CHEBI:38429 biolink:ChemicalSubstance monochloromuconic acid Any chloromuconic acid substituted by a single chloro substituent at unspecified position. phenio.json chloro-2,4-hexadienedioic acids|chlorohexa-2,4-dienedioic acid|chloromuconic acids http://purl.obolibrary.org/obo/CHEBI_38429 3_STAR
CHEBI:38436 biolink:ChemicalSubstance muconic semialdehyde An aldehydic acid derived obtained by conversion of one of the carboxy groups of any muconic acid to the corresponding aldehyde. phenio.json http://purl.obolibrary.org/obo/CHEBI_38436 3_STAR
CHEBI:38439 biolink:ChemicalSubstance N-acetyl-D-glucosaminate A monocarboxylic acid anion resulting from deprotonation of the carboxy group of N-acetyl-D-glucosaminic acid; major species at pH 7.3. KEGG:C01133 phenio.json 2-acetamido-2-deoxy-D-gluconate|N-Acetyl-D-glucosaminate|N-acetyl-D-glucosaminate http://purl.obolibrary.org/obo/CHEBI_38439 3_STAR
CHEBI:38443 biolink:ChemicalSubstance 1-benzopyran phenio.json 1-benzopyrans http://purl.obolibrary.org/obo/CHEBI_38443 3_STAR
CHEBI:38444 biolink:ChemicalSubstance 2-benzopyran phenio.json 2-benzopyrans http://purl.obolibrary.org/obo/CHEBI_38444 3_STAR
CHEBI:38445 biolink:ChemicalSubstance chromenone phenio.json chromenones http://purl.obolibrary.org/obo/CHEBI_38445 3_STAR
CHEBI:38456 biolink:ChemicalSubstance ecdysone agonist phenio.json ecdysone agonists|ecdysone mimetic http://purl.obolibrary.org/obo/CHEBI_38456 3_STAR
CHEBI:38459 biolink:ChemicalSubstance oxindoles Any member of the class of indolones whose structure is based on an oxindole (2-indolone) skeleton. phenio.json http://purl.obolibrary.org/obo/CHEBI_38459 3_STAR
CHEBI:38460 biolink:ChemicalSubstance methylindole Any member of the class of indoles carrying one or more methyl substituents. phenio.json methylindole|methylindoles http://purl.obolibrary.org/obo/CHEBI_38460 3_STAR
CHEBI:38461 biolink:ChemicalSubstance carbamate insecticide Derivatives of carbamic acid with insecticidal properties of general formula ROC(=O)NR(1)R(2), where ROH is an alcohol, oxime, or phenol and R(1) is hydrogen or methyl. Like organophosphate insecticides, they are cholinesterase inhibitors, but carbamate insecticides differ in action from the organophosphates in that the inhibitory effect on cholinesterase is generally brief. phenio.json carbamate insecticides http://purl.obolibrary.org/obo/CHEBI_38461 3_STAR
CHEBI:38462 biolink:ChemicalSubstance EC 3.1.1.7 (acetylcholinesterase) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. Wikipedia:Acetylcholinesterase_inhibitor phenio.json AChEI|AcCholE inhibitor|AcCholE inhibitors|EC 3.1.1.7 (acetylcholinesterase) inhibitors|EC 3.1.1.7 inhibitor|EC 3.1.1.7 inhibitors|acetyl.beta-methylcholinesterase inhibitor|acetyl.beta-methylcholinesterase inhibitors|acetylcholine acetylhydrolase inhibitor|acetylcholine acetylhydrolase inhibitors|acetylcholine esterase inhibitor|acetylcholine hydrolase inhibitor|acetylcholine hydrolase inhibitors|acetylcholinesterase (EC 3.1.1.7) inhibitor|acetylcholinesterase (EC 3.1.1.7) inhibitors|acetylcholinesterase inhibitor|acetylcholinesterase inhibitors|acetylthiocholinesterase inhibitor|acetylthiocholinesterase inhibitors|choline esterase I inhibitor|choline esterase I inhibitors|cholinesterase inhibitor|cholinesterase inhibitors|true cholinesterase inhibitor|true cholinesterase inhibitors http://purl.obolibrary.org/obo/CHEBI_38462 3_STAR
CHEBI:38466 biolink:ChemicalSubstance imidazolyl carboxylic acid anion A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of an imidazolyl carboxylic acid. phenio.json imidazolyl carboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_38466 3_STAR
CHEBI:38467 biolink:ChemicalSubstance indolyl alcohol phenio.json indolyl alcohols http://purl.obolibrary.org/obo/CHEBI_38467 3_STAR
CHEBI:38468 biolink:ChemicalSubstance indol-3-yl carboxylic acid anion phenio.json indol-3-yl carboxylic acid anions http://purl.obolibrary.org/obo/CHEBI_38468 3_STAR
CHEBI:38472 biolink:ChemicalSubstance acetonitrile A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. Beilstein:741857|CAS:75-05-8|Gmelin:895|PDBeChem:CCN|PMID:17347819|PMID:19100763|PMID:20370615|PMID:985423|PPDB:1349|Reaxys:741857|Wikipedia:Acetonitrile phenio.json ACETONITRILE|CH3-C#N|MeCN|NCMe|acetonitrile|cyanomethane|ethanenitrile|methyl cyanide http://purl.obolibrary.org/obo/CHEBI_38472 3_STAR
CHEBI:38473 biolink:ChemicalSubstance azadirachtin A family of terpenoids isolated from the neem tree (Azadirachta indica). PMID:16619609|PMID:24357500 phenio.json azadirachtins http://purl.obolibrary.org/obo/CHEBI_38473 3_STAR
CHEBI:38481 biolink:ChemicalSubstance alkaloid ester phenio.json alkaloid esters http://purl.obolibrary.org/obo/CHEBI_38481 3_STAR
CHEBI:38482 biolink:ChemicalSubstance indole alkaloid fundamental parent phenio.json indole alkaloid fundamental parents http://purl.obolibrary.org/obo/CHEBI_38482 3_STAR
CHEBI:38484 biolink:ChemicalSubstance ergoline An indole alkaloid whose structural skeleton is found in many naturally occurring and synthetic ergolines which are known to bind to neurotransmitter receptors, such as dopamine, noradrenaline and serotonin receptors and function as unselective agonists or antagonists at these receptors. CAS:478-88-6|Chemspider:5256873|PMID:13217|PMID:16944356|PMID:18031017|PMID:19783143|PMID:23659323|PMID:31621316|PMID:423180|Wikipedia:Ergoline phenio.json (2R,7R)-6,11-diazatetracyclo[7.6.1.0(2,7).0(12,16)]hexadeca-1(16),9,12,14-tetraene|(6aR,10aR)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline|(6aR-trans)-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline|ergoline|ergoline I http://purl.obolibrary.org/obo/CHEBI_38484 3_STAR
CHEBI:38485 biolink:ChemicalSubstance indolizines phenio.json http://purl.obolibrary.org/obo/CHEBI_38485 3_STAR
CHEBI:38496 biolink:ChemicalSubstance electron-transport chain inhibitor phenio.json http://purl.obolibrary.org/obo/CHEBI_38496 1_STAR
CHEBI:38497 biolink:ChemicalSubstance respiratory-chain inhibitor phenio.json http://purl.obolibrary.org/obo/CHEBI_38497 1_STAR
CHEBI:38498 biolink:ChemicalSubstance mitochondrial NADH:ubiquinone reductase inhibitor phenio.json mitochondrial NADH dehydrogenase inhibitor|mitochondrial complex I inhibitor|mitochondrial complex I inhibitors http://purl.obolibrary.org/obo/CHEBI_38498 3_STAR
CHEBI:38499 biolink:ChemicalSubstance mitochondrial cytochrome-bc1 complex inhibitor phenio.json mitochondrial complex III inhibitor|mitochondrial complex III inhibitors http://purl.obolibrary.org/obo/CHEBI_38499 3_STAR
CHEBI:38500 biolink:ChemicalSubstance EC 1.9.3.1 (cytochrome c oxidase) inhibitor An EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor that interferes with the action of cytochrome c oxidase (EC 1.9.3.1). PMID:12969439|Wikipedia:Cytochrome_c_oxidase phenio.json CcO inhibitor|EC 1.9.3.1 (cytochrome c oxidase) inhibitors|EC 1.9.3.1 inhibitor|EC 1.9.3.1 inhibitors|NADH cytochrome c oxidase inhibitor|NADH cytochrome c oxidase inhibitors|Warburg's respiratory enzyme inhibitor|Warburg's respiratory enzyme inhibitors|complex IV (mitochondrial electron transport) inhibitor|complex IV (mitochondrial electron transport) inhibitors|cytochrome a3 inhibitor|cytochrome a3 inhibitors|cytochrome aa3 inhibitor|cytochrome aa3 inhibitors|cytochrome c oxidase (EC 1.9.3.1) inhibitor|cytochrome c oxidase (EC 1.9.3.1) inhibitors|cytochrome c oxidase inhibitor|cytochrome c oxidase inhibitors|cytochrome oxidase inhibitor|cytochrome oxidase inhibitors|cytochrome-c oxidase inhibitor|cytochrome-c oxidase inhibitors|ferrocytochrome c oxidase inhibitor|ferrocytochrome c oxidase inhibitors|ferrocytochrome-c:oxygen oxidoreductase inhibitor|ferrocytochrome-c:oxygen oxidoreductase inhibitors|indophenol oxidase inhibitor|indophenol oxidase inhibitors|indophenolase inhibitor|indophenolase inhibitors|mitochondrial complex IV inhibitor|mitochondrial complex IV inhibitors|mitochondrial cytochrome-c oxidase inhibitors http://purl.obolibrary.org/obo/CHEBI_38500 3_STAR
CHEBI:38502 biolink:ChemicalSubstance cytochrome-bc1 complex inhibitor phenio.json http://purl.obolibrary.org/obo/CHEBI_38502 1_STAR
CHEBI:38503 biolink:ChemicalSubstance EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitor A respiratory-chain inhibitor that interferes with the action of the the enzyme NADH:ubiquinone reductase (H(+)-translocating), EC 1.6.5.3. Wikipedia:NADH_dehydrogenase_(ubiquinone) phenio.json DPNH-coenzyme Q reductase inhibitor|DPNH-ubiquinone reductase inhibitor|EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitor|EC 1.6.5.3 (NADH:ubiquinone reductase (H(+)-translocating)) inhibitors|EC 1.6.5.3 [NADH:ubiquinone reductase (H(+)-translocating)] inhibitors|EC 1.6.5.3 inhibitor|EC 1.6.5.3 inhibitors|NADH coenzyme Q1 reductase inhibitor|NADH coenzyme Q1 reductase inhibitors|NADH dehydrogenase (ubiquinone) inhibitor|NADH dehydrogenase (ubiquinone) inhibitors|NADH-CoQ oxidoreductase inhibitor|NADH-CoQ oxidoreductase inhibitors|NADH-CoQ reductase inhibitor|NADH-CoQ reductase inhibitors|NADH-Q6 oxidoreductase inhibitor|NADH-coenzyme Q oxidoreductase inhibitors|NADH-coenzyme Q reductase inhibitor|NADH-coenzyme Q reductase inhibitors|NADH-ubiquinone oxidoreductase inhibitor|NADH-ubiquinone oxidoreductase inhibitors|NADH-ubiquinone reductase inhibitor|NADH-ubiquinone reductase inhibitors|NADH-ubiquinone-1 reductase inhibitor|NADH-ubiquinone-1 reductase inhibitors|NADH2 dehydrogenase (ubiquinone) inhibitor|NADH:ubiquinone oxidoreductase complex inhibitor|NADH:ubiquinone oxidoreductase inhibitor|NADH:ubiquinone oxidoreductase inhibitors|NADH:ubiquinone reductase (H(+)-translocating) inhibitor|NADH:ubiquinone reductase (H(+)-translocating) inhibitors|NADH:ubiquinone reductase (H+-translocating) inhibitor|NADH:ubiquinone reductase inhibitor|coenzyme Q reductase|complex 1 dehydrogenase inhibitor|complex I (NADH:Q1 oxidoreductase) inhibitors|complex I (electron transport chain) inhibitors|complex I (mitochondrial electron transport) inhibitors|dihydronicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor|electron transfer complex I inhibitor|electron transfer complex I inhibitors|mitochondrial electron transport complex 1 inhibitor|mitochondrial electron transport complex I inhibitor|mitochondrial electron transport complex I inhibitors|reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitor|reduced nicotinamide adenine dinucleotide-coenzyme Q reductase inhibitors|type 1 dehydrogenase inhibitor|type 1 dehydrogenase inhibitors|ubiquinone reductase inhibitor|ubiquinone reductase inhibitors http://purl.obolibrary.org/obo/CHEBI_38503 3_STAR
CHEBI:38506 biolink:ChemicalSubstance 2-isopropylphenol A member of the class of phenols carrying an isopropyl group at position 2. AGR:IND92001800|CAS:88-69-7|HMDB:HMDB0032029|MetaCyc:CPD-14150|PMID:14758593|PMID:7811094|Reaxys:1363322 phenio.json 1-Hydroxy-2-isopropylbenzene|2-(1-Methylethyl)phenol|2-(propan-2-yl)phenol|2-isopropylphenol|o-Cumenol|o-Hydroxycumene|o-Isopropylphenol http://purl.obolibrary.org/obo/CHEBI_38506 3_STAR
CHEBI:38511 biolink:ChemicalSubstance indolizidine alkaloid Patent:WO9106547 phenio.json indolizidine alkaloids|indolizine alkaloids http://purl.obolibrary.org/obo/CHEBI_38511 3_STAR
CHEBI:38512 biolink:ChemicalSubstance dibenzoquinolizine phenio.json dibenzoquinolizines http://purl.obolibrary.org/obo/CHEBI_38512 3_STAR
CHEBI:38513 biolink:ChemicalSubstance indolizine alkaloid fundamental parent phenio.json indolizine alkaloid fundamental parents http://purl.obolibrary.org/obo/CHEBI_38513 3_STAR
CHEBI:38514 biolink:ChemicalSubstance quinoline alkaloid fundamental parent phenio.json quinoline alkaloid fundamental parents http://purl.obolibrary.org/obo/CHEBI_38514 3_STAR
CHEBI:38515 biolink:ChemicalSubstance isoquinoline alkaloid fundamental parent phenio.json isoquinoline alkaloid fundamental parents http://purl.obolibrary.org/obo/CHEBI_38515 3_STAR
CHEBI:38516 biolink:ChemicalSubstance steroid alkaloid fundamental parent phenio.json steroid alkaloid fundamental parents http://purl.obolibrary.org/obo/CHEBI_38516 3_STAR
CHEBI:38517 biolink:ChemicalSubstance benzophenanthridine alkaloid A specific group of isoquinoline alkaloids that occur only in higher plants and are constituents mainly of the Papaveraceae family. phenio.json benzophenanthridine alkaloids http://purl.obolibrary.org/obo/CHEBI_38517 3_STAR
CHEBI:38518 biolink:ChemicalSubstance benzophenanthridine phenio.json benzophenanthridines http://purl.obolibrary.org/obo/CHEBI_38518 3_STAR
CHEBI:38521 biolink:ChemicalSubstance pyrrolizine alkaloid phenio.json pyrrolizine alkaloids http://purl.obolibrary.org/obo/CHEBI_38521 3_STAR
CHEBI:38522 biolink:ChemicalSubstance pyrrolizines phenio.json http://purl.obolibrary.org/obo/CHEBI_38522 3_STAR
CHEBI:38523 biolink:ChemicalSubstance benzazepine alkaloid phenio.json benzazepine alkaloids http://purl.obolibrary.org/obo/CHEBI_38523 3_STAR
CHEBI:38525 biolink:ChemicalSubstance terpene alkaloid fundamental parent phenio.json terpene alkaloid fundamental parents http://purl.obolibrary.org/obo/CHEBI_38525 3_STAR
CHEBI:38526 biolink:ChemicalSubstance quinolizidine alkaloid fundamental parent phenio.json quinolizidine alkaloid fundamental parents http://purl.obolibrary.org/obo/CHEBI_38526 3_STAR
CHEBI:38527 biolink:ChemicalSubstance benzazepine alkaloid fundamental parent phenio.json benzazepine alkaloid fundamental parents http://purl.obolibrary.org/obo/CHEBI_38527 3_STAR
CHEBI:38530 biolink:ChemicalSubstance quinazolines Any organic heterobicyclic compound based on a quinazoline skeleton and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_38530 3_STAR
CHEBI:38532 biolink:ChemicalSubstance hydrazone Compounds having the structure R2C=NNR2, formally derived from aldehydes or ketones by replacing =O by =NNH2 (or substituted analogues). phenio.json hydrazones http://purl.obolibrary.org/obo/CHEBI_38532 3_STAR
CHEBI:38534 biolink:ChemicalSubstance 1-(methylsulfanyl)acetaldoxime Beilstein:1901214|CAS:13749-94-5 phenio.json 1-(Methylthio)acetaldehyde oxime|1-(Methylthio)acetaldoxime|Methomyl oxime|Methyl N-hydroxyacetimidothioate|Methyl N-hydroxyethanimidothioate|Methyl thioacetohydroxamate|methyl N-hydroxyethanimidothioate http://purl.obolibrary.org/obo/CHEBI_38534 3_STAR
CHEBI:38545 biolink:ChemicalSubstance rosuvastatin A dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer). CAS:287714-41-4|DrugBank:DB01098|Drug_Central:2406|HMDB:HMDB0015230|KEGG:D08492|PMID:17970755|PMID:18509206|PMID:19724024|PMID:19956889|PMID:23806820|PMID:23881596|PMID:23944632|PMID:24072337|PMID:24076283|PMID:24076297|PMID:24156555|PMID:24163149|PMID:24230979|PMID:24253250|PMID:24259612|PMID:24304551|PMID:24333476|PMID:24353409|PMID:24410968|PMID:24417785|PMID:24434545|PMID:24440231|PMID:24440960|PMID:24444439|PMID:24452083|PMID:24456217|PMID:24467235|Patent:US2013035316|Reaxys:9670765|Wikipedia:Rosuvastatin phenio.json (3R,5S,6E)-7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(ethyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid|(3R,5S,6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid|(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid|rosuvastatin http://purl.obolibrary.org/obo/CHEBI_38545 3_STAR
CHEBI:38551 biolink:ChemicalSubstance cytochrome b COMe:PRX000153 phenio.json b-type cytochrome|cytochrome b http://purl.obolibrary.org/obo/CHEBI_38551 3_STAR
CHEBI:38553 biolink:ChemicalSubstance cytochrome b5 COMe:PRX000121 phenio.json http://purl.obolibrary.org/obo/CHEBI_38553 3_STAR
CHEBI:38560 biolink:ChemicalSubstance simple protein phenio.json simple proteins http://purl.obolibrary.org/obo/CHEBI_38560 3_STAR
CHEBI:38561 biolink:ChemicalSubstance fluvastatin A racemate comprising equimolar amounts of (3R,5S)- and (3S,5R)-fluvastatin. An HMG-CoA reductase inhibitor, it is used (often as the corresponding sodium salt) to reduce triglycerides and LDL-cholesterol, and increase HDL-chloesterol, in the treatment of hyperlipidaemia. Beilstein:9168031|CAS:93957-54-1|DrugBank:DB01095|KEGG:C07014|KEGG:D07983|PMID:11273020|PMID:12147804|PMID:18410471|PMID:18413661|PMID:18452779|PMID:18936176|PMID:23212095|PMID:23846727|Patent:US4739073|Patent:WO8402131|Wikipedia:Fluvastatin phenio.json (+-)-fluvastatin|(6E)-erythro7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid|Cranoc|erythro-(E)-3,5-dihydroxy-7-[3'-(4''-fluorophenyl)-1'-(1''-methylethyl)indol-2'-yl]hept-6-enoic acid|fluvastatin|fluvastatina|fluvastatine|fluvastatinum|rac-(3R,5S)-fluvastatin|rac-(3R,5S,6E)-7-(3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl)-3,5-dihydroxy-6-heptenoic acid|rac-(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid http://purl.obolibrary.org/obo/CHEBI_38561 3_STAR
CHEBI:38562 biolink:ChemicalSubstance (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid A dihydroxy monocarboxylic acid that is N-isopropylindole which is substituted at position 3 by a p-fluorophenyl group and at position 2 by a 6-carboxy-3,5-dihydroxyhex-1-en-1-yl group. It has four possible diastereoisomers. phenio.json (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid|(6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid http://purl.obolibrary.org/obo/CHEBI_38562 3_STAR
CHEBI:38565 biolink:ChemicalSubstance (3R,5S)-fluvastatin A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which the stereocentres beta- and delta- to the carboxy group have R and S configuration, respectively. The drug fluvastatin is an equimolar mixture of this compound and its enantiomer. PMID:11817313|PMID:12489926|PMID:12891229|PMID:16480934|Reaxys:8169392 phenio.json (+)-(3R,5S)-fluvastatin|(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid|(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid http://purl.obolibrary.org/obo/CHEBI_38565 3_STAR
CHEBI:38573 biolink:ChemicalSubstance ferroheme Any iron(II)--porphyrin coordination complex. phenio.json ferrohaem http://purl.obolibrary.org/obo/CHEBI_38573 3_STAR
CHEBI:38574 biolink:ChemicalSubstance ferriheme Any iron(III)--porphyrin coordination complex. phenio.json ferrihaem http://purl.obolibrary.org/obo/CHEBI_38574 3_STAR
CHEBI:38579 biolink:ChemicalSubstance peptide pheromone phenio.json peptide pheromones http://purl.obolibrary.org/obo/CHEBI_38579 3_STAR
CHEBI:38582 biolink:ChemicalSubstance difluorobenzene Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying two fluorine atoms. phenio.json Difluorbenzol|difluorobenzene|difluorobenzenes http://purl.obolibrary.org/obo/CHEBI_38582 3_STAR
CHEBI:38584 biolink:ChemicalSubstance 1,3-difluorobenzene A difluorobenzene carrying fluoro groups at positions 1 and 3. CAS:372-18-9|Gmelin:200891|PMID:15535712|PMID:22707282|Patent:CN101607874|Patent:CN1634895|Patent:CN1765887|Reaxys:1904537 phenio.json 1,3-Difluorbenzol|1,3-difluorobenzene|m-difluorobenzene|meta-difluorobenzene http://purl.obolibrary.org/obo/CHEBI_38584 3_STAR
CHEBI:38595 biolink:ChemicalSubstance 3H-pyrazole Beilstein:506329 phenio.json 3H-Pyrazol|3H-pyrazole http://purl.obolibrary.org/obo/CHEBI_38595 3_STAR
CHEBI:38596 biolink:ChemicalSubstance pyrazolide An organic anion with formula C3H3N2 resulting from the removal of a proton from 1H, 3H, or 4H-pyrazole. phenio.json pyrazolide http://purl.obolibrary.org/obo/CHEBI_38596 3_STAR
CHEBI:38597 biolink:ChemicalSubstance triazole phenio.json triazole http://purl.obolibrary.org/obo/CHEBI_38597 3_STAR
CHEBI:38598 biolink:ChemicalSubstance chlorfenvinfos Beilstein:2338385|CAS:470-90-6|KEGG:C18654|KEGG:D07722|PPDB:138|VSDB:138 phenio.json 2,4-dichloro-alpha-(chloromethylene)benzyl diethyl phosphate|2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate|2-chloro-1-(2,4-dichlorophenyl)vinyl diethyl phosphate|beta-2-chloro-1-(2',4'-dichlorophenyl) vinyl diethylphosphate|chlorfenvinphos|diethyl 1-(2,4-dichlorophenyl)-2-chlorovinyl phosphate|phosphoric acid, 2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl ester http://purl.obolibrary.org/obo/CHEBI_38598 3_STAR
CHEBI:38599 biolink:ChemicalSubstance 4H-pyrazole Beilstein:5860011|Gmelin:2355958 phenio.json 4H-Pyrazol|4H-pyrazole http://purl.obolibrary.org/obo/CHEBI_38599 3_STAR
CHEBI:38600 biolink:ChemicalSubstance 4H-pyrazol-4-ide Beilstein:5493743 phenio.json 4H-pyrazol-4-ide http://purl.obolibrary.org/obo/CHEBI_38600 3_STAR
CHEBI:38605 biolink:ChemicalSubstance phenethylamine alkaloid phenio.json phenethylamine alkaloids http://purl.obolibrary.org/obo/CHEBI_38605 3_STAR
CHEBI:38606 biolink:ChemicalSubstance cyclopentapyran phenio.json cyclopentapyrans http://purl.obolibrary.org/obo/CHEBI_38606 3_STAR
CHEBI:38607 biolink:ChemicalSubstance dibenzazecine phenio.json dibenzazecines http://purl.obolibrary.org/obo/CHEBI_38607 3_STAR
CHEBI:38608 biolink:ChemicalSubstance dibenzazecine alkaloid phenio.json dibenzazecine alkaloids http://purl.obolibrary.org/obo/CHEBI_38608 3_STAR
CHEBI:38609 biolink:ChemicalSubstance indolecarboxylate phenio.json indolecarboxylates http://purl.obolibrary.org/obo/CHEBI_38609 3_STAR
CHEBI:38610 biolink:ChemicalSubstance indolecarboxylic acid phenio.json indolecarboxylic acids http://purl.obolibrary.org/obo/CHEBI_38610 3_STAR
CHEBI:38615 biolink:ChemicalSubstance cyclopiazonic acid phenio.json Cyclopiazonsaeuren|Zyklopiazonsaeuren|cyclopiazonic acids http://purl.obolibrary.org/obo/CHEBI_38615 3_STAR
CHEBI:38620 biolink:ChemicalSubstance chlorferron Beilstein:156298|CAS:6174-86-3 phenio.json 3-Chloro-4-methyl-7-hydroxycoumarin|3-Chloro-7-hydroxy-4-methyl-2-benzopyrone|3-chloro-7-hydroxy-4-methyl-2H-1-benzopyran-2-one|3-chloro-7-hydroxy-4-methyl-2H-chromen-2-one|7-Hydroxy-4-methyl-3-chlorocoumarin|Chlorferone http://purl.obolibrary.org/obo/CHEBI_38620 3_STAR
CHEBI:38623 biolink:ChemicalSubstance EC 1.4.3.4 (monoamine oxidase) inhibitor An EC 1.4.3.* (oxidoreductase acting on donor CH-NH2 group, oxygen as acceptor) inhibitor that interferes with the action of monoamine oxidase (EC 1.4.3.4). Wikipedia:Monoamine_oxidase_inhibitor phenio.json EC 1.4.3.4 (monoamine oxidase) inhibitors|EC 1.4.3.4 inhibitor|EC 1.4.3.4 inhibitors|MAO A inhibitor|MAO A inhibitors|MAO B inhibitor|MAO B inhibitors|MAO inhibitor|MAO inhibitors|MAO-A inhibitor|MAO-A inhibitors|MAO-B inhibitor|MAO-B inhibitors|adrenalin oxidase inhibitor|adrenalin oxidase inhibitors|adrenaline oxidase inhibitor|adrenaline oxidase inhibitors|amine oxidase (flavin-containing) inhibitor|amine oxidase (flavin-containing) inhibitors|amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitor|amine:oxygen oxidoreductase (deaminating) (flavin-containing) inhibitors|amine:oxygen oxidoreductase (deaminating) inhibitor|amine:oxygen oxidoreductase (deaminating) inhibitors|epinephrine oxidase inhibitor|epinephrine oxidase inhibitors|monoamine oxidase (EC 1.4.3.4) inhibitor|monoamine oxidase (EC 1.4.3.4) inhibitors|monoamine oxidase A inhibitor|monoamine oxidase A inhibitors|monoamine oxidase B inhibitor|monoamine oxidase B inhibitors|monoamine oxidase inhibitor|monoamine oxidase inhibitors|monoamine:O2 oxidoreductase (deaminating) inhibitor|monoamine:O2 oxidoreductase (deaminating) inhibitors|serotonin deaminase inhibitor|serotonin deaminase inhibitors|tyraminase inhibitor|tyraminase inhibitors|tyramine oxidase inhibitor|tyramine oxidase inhibitors http://purl.obolibrary.org/obo/CHEBI_38623 3_STAR
CHEBI:38627 biolink:ChemicalSubstance diazine The parent structure of the diazines. phenio.json Diazin http://purl.obolibrary.org/obo/CHEBI_38627 3_STAR
CHEBI:38629 biolink:ChemicalSubstance 2-isopropyl-6-methylpyrimidin-4-ol A hydroxypyrimidine that is pyrimidine substituted by an isopropyl group at position 2, a methyl group at position 6 and a hydroxy group at position 4. PMID:16436313|Reaxys:742884 phenio.json 6-methyl-2-(1-methylethyl)pyrimidin-4-ol|6-methyl-2-(propan-2-yl)pyrimidin-4-ol http://purl.obolibrary.org/obo/CHEBI_38629 3_STAR
CHEBI:38631 biolink:ChemicalSubstance aminoalkylindole phenio.json aminoalkylindoles http://purl.obolibrary.org/obo/CHEBI_38631 3_STAR
CHEBI:38632 biolink:ChemicalSubstance membrane transport modulator Any agent that affects the transport of molecular entities across a biological membrane. phenio.json membrane transport modulators http://purl.obolibrary.org/obo/CHEBI_38632 3_STAR
CHEBI:38633 biolink:ChemicalSubstance sodium channel blocker An agent that inhibits sodium influx through cell membranes. phenio.json Na channel blocker|sodium channel blockers http://purl.obolibrary.org/obo/CHEBI_38633 3_STAR
CHEBI:38634 biolink:ChemicalSubstance voltage-gated sodium channel blocker Any sodium channel blocker that interferes with the activity of voltage-gated sodium channels. phenio.json Nav channel blocker|Nav channel blockers|voltage-dependent sodium channel blockers http://purl.obolibrary.org/obo/CHEBI_38634 3_STAR
CHEBI:38635 biolink:ChemicalSubstance 3-methyladenine A methyladenine that is adenine substituted with a methyl group at position N-3. CAS:5142-23-4|DrugBank:DB04104|Gmelin:279109|HMDB:HMDB0011600|KEGG:C00913|LINCS:LSM-4733|MetaCyc:3-Methyl-Adenines|PDBeChem:ADK|PMID:16139832|PMID:22770225|PMID:23819759|PMID:24297644|PMID:24830781|PMID:25708950|Reaxys:146087|Reaxys:6503822 phenio.json 3-METHYL-3H-PURIN-6-YLAMINE|3-Methyladenine|3-methyl-3H-adenine|3-methyl-3H-purin-6-amine|3-methyladenine|6-amino-3-methylpurine http://purl.obolibrary.org/obo/CHEBI_38635 3_STAR
CHEBI:38637 biolink:ChemicalSubstance tyrosine kinase inhibitor Any protein kinase inhibitor that interferes with the action of tyrosine kinase. Wikipedia:Tyrosine-kinase_inhibitor phenio.json TKI inhibitor|TKI inhibitors|protein tyrosine kinase inhibitor|protein tyrosine kinase inhibitors|tyrosine kinase inhibitors|tyrphostin|tyrphostins http://purl.obolibrary.org/obo/CHEBI_38637 3_STAR
CHEBI:38641 biolink:ChemicalSubstance trimethylbenzene CAS:25551-13-7 phenio.json methylxylene|trimethyl benzene|trimethylbenzene|trimethylbenzenes http://purl.obolibrary.org/obo/CHEBI_38641 3_STAR
CHEBI:38643 biolink:ChemicalSubstance 6-isopentenylaminopurine phenio.json 6-isopentenylaminopurines http://purl.obolibrary.org/obo/CHEBI_38643 3_STAR
CHEBI:38644 biolink:ChemicalSubstance O-beta-D-glucosylzeatins phenio.json http://purl.obolibrary.org/obo/CHEBI_38644 3_STAR
CHEBI:38646 biolink:ChemicalSubstance O-beta-D-glucosylzeatin phenio.json http://purl.obolibrary.org/obo/CHEBI_38646 1_STAR
CHEBI:38653 biolink:ChemicalSubstance methylbutyric acid A methyl-branched fatty acid comprising a butyric acid core carrying a single methyl substituent. PMID:13105653 phenio.json methylbutanoic acid http://purl.obolibrary.org/obo/CHEBI_38653 3_STAR
CHEBI:38655 biolink:ChemicalSubstance (S)-2-methylbutyric acid The (S)-enantiomer of 2-methylbutanoic acid. Beilstein:1720485|Beilstein:3648078|CAS:1730-91-2|Gmelin:532948|PMID:2026560 phenio.json (2S)-2-methylbutanoic acid|(S)-2-methylbutanoic acid|(S)-alpha-methylbutanoic acid http://purl.obolibrary.org/obo/CHEBI_38655 3_STAR
CHEBI:38656 biolink:ChemicalSubstance organochlorine pesticide Any organochlorine compound that has been used as a pesticide. phenio.json Chlororganische Pestizide|Organochlorpestizid|organochloride pesticide|organochloride pesticides|organochlorine pesticides http://purl.obolibrary.org/obo/CHEBI_38656 3_STAR
CHEBI:38657 biolink:ChemicalSubstance organochlorine acaricide Any organochlorine pesticide that has been used as an acaricide. phenio.json chlororganische Akarizide|organochloride acaricide|organochloride acaricides|organochlorine acaricides http://purl.obolibrary.org/obo/CHEBI_38657 3_STAR
CHEBI:38667 biolink:ChemicalSubstance purinemonocarboxylic acid phenio.json purinemonocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_38667 3_STAR
CHEBI:38668 biolink:ChemicalSubstance purinecarboxylate phenio.json purinecarboxylates http://purl.obolibrary.org/obo/CHEBI_38668 3_STAR
CHEBI:38669 biolink:ChemicalSubstance pyrazolopyrimidine phenio.json pyrazolopyrimidines http://purl.obolibrary.org/obo/CHEBI_38669 3_STAR
CHEBI:38670 biolink:ChemicalSubstance pyrrolopyrimidine phenio.json pyrrolopyrimidines http://purl.obolibrary.org/obo/CHEBI_38670 3_STAR
CHEBI:38672 biolink:ChemicalSubstance flavans Any flavonoid with a 3,4-dihydro-2-aryl-2H-1-benzopyran skeleton and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_38672 3_STAR
CHEBI:38674 biolink:ChemicalSubstance chromenemonocarboxylate phenio.json chromenemonocarboxylates http://purl.obolibrary.org/obo/CHEBI_38674 3_STAR
CHEBI:38677 biolink:ChemicalSubstance famphur CAS:52-85-7|KEGG:C18658|VSDB:1598 phenio.json Famophos|O-[4-(dimethylsulfamoyl)phenyl] O,O-dimethyl phosphorothioate|O-[4-(dimethylsulfamoyl)phenyl] O,O-dimethyl thiophosphate|Phosphorothioic acid, O-(4-((dimethylamino)sulfonyl)phenyl) O,O-dimethyl ester http://purl.obolibrary.org/obo/CHEBI_38677 3_STAR
CHEBI:38678 biolink:ChemicalSubstance 4-hydroxy-N,N-dimethylbenzenesulfonamide Beilstein:2103901|CAS:15020-57-2 phenio.json 4-Dimethylsulfamoylphenol|4-hydroxy-N,N-dimethylbenzenesulfonamide|p-(N,N-Dimethylsulfamoyl)phenol http://purl.obolibrary.org/obo/CHEBI_38678 3_STAR
CHEBI:38679 biolink:ChemicalSubstance fluorobiphenyl Any member of the class of biphenyls that is a mono or poly-substituted biphenyl having fluro group as one of the substituents. phenio.json fluorobiphenyls http://purl.obolibrary.org/obo/CHEBI_38679 3_STAR
CHEBI:38681 biolink:ChemicalSubstance 4-(methylsulfanyl)-m-cresol Beilstein:1210322|CAS:3120-74-9 phenio.json 3-Methyl-4-(1-methylthio)phenol|3-methyl-4-(methylsulfanyl)phenol|4-(Methylthio)-m-cresol|Methylthiomethylphenol http://purl.obolibrary.org/obo/CHEBI_38681 3_STAR
CHEBI:38684 biolink:ChemicalSubstance tetrahydroxyflavone Any hydroxyflavone carrying four hydroxy substituents. phenio.json tetrahydroxyflavone|tetrahydroxyflavones http://purl.obolibrary.org/obo/CHEBI_38684 3_STAR
CHEBI:38685 biolink:ChemicalSubstance 1,2-epoxypropane An epoxide that is oxirane substituted by a methyl group at position 2. Beilstein:79763|CAS:75-56-9|Gmelin:81761|HMDB:HMDB0031558|KEGG:C15508|MetaCyc:12-EPOXYPROPANE|PMID:23803541|PMID:24699862|Reaxys:79763|Wikipedia:Propylene_oxide phenio.json 1,2-Propylene oxide|1,2-epoxypropane|1,2-propylene oxide|2,3-epoxypropane|2-methyloxirane|Propylene oxide|epoxypropane|methyloxacyclopropane|methyloxirane|propylene oxide http://purl.obolibrary.org/obo/CHEBI_38685 3_STAR
CHEBI:38686 biolink:ChemicalSubstance dihydroxyflavone Any hydroxyflavone in which two ring hydrogens are replaced by hydroxy substituents. phenio.json dihydroxyflavones http://purl.obolibrary.org/obo/CHEBI_38686 3_STAR
CHEBI:38687 biolink:ChemicalSubstance monohydroxyflavone A hydroxyflavone carrying a single hydroxy substituent. phenio.json monohydroxyflavones http://purl.obolibrary.org/obo/CHEBI_38687 3_STAR
CHEBI:38691 biolink:ChemicalSubstance flavan The simplest member of the class of flavans that is chromane substituted by a phenyl group at position 2. Beilstein:383899|CAS:494-12-2|MetaCyc:CPD-13729|Reaxys:383899|Wikipedia:Flavan phenio.json 2-Phenylchroman|2-phenyl-3,4-dihydro-2H-chromene|2-phenylchromane|3,4-dihydro-2-phenyl-2H-1-benzopyran|flavan http://purl.obolibrary.org/obo/CHEBI_38691 3_STAR
CHEBI:38695 biolink:ChemicalSubstance anthocyanidin Any flavonoid that is a salt containing flavylium ion or 2-phenylchromenylium skeleton and its substituted derivatives together with an appropriate counterion. Aglycons of anthocyanins, they form a part of the large group of planr pigments. HMDB:HMDB0031460|KEGG:C02003|MetaCyc:Anthocyanidins|Wikipedia:Anthocyanidins phenio.json anthocyanidins http://purl.obolibrary.org/obo/CHEBI_38695 3_STAR
CHEBI:38697 biolink:ChemicalSubstance anthocyanin Any flavonoid that is a glycoside derivative of anthocyanidin. Anthocyanins are water-souluble plant pigments that generally occur as acidic salts exhibiting bright colours. phenio.json anthocyanins http://purl.obolibrary.org/obo/CHEBI_38697 3_STAR
CHEBI:38700 biolink:ChemicalSubstance organic sodium salt phenio.json organic sodium salt|organic sodium salts http://purl.obolibrary.org/obo/CHEBI_38700 3_STAR
CHEBI:38702 biolink:ChemicalSubstance inorganic sodium salt phenio.json inorganic sodium salts http://purl.obolibrary.org/obo/CHEBI_38702 3_STAR
CHEBI:38705 biolink:ChemicalSubstance thiomalic acid Beilstein:1099858|CAS:70-49-5|Gmelin:218084 phenio.json 2-mercaptosuccinic acid|2-sulfanylbutanedioic acid|2-sulfanylsuccinic acid|2-thiomalic acid|alpha-mercaptosuccinic acid|mercaptosuccinic acid|monomercaptosuccinic acid|thiomalic acid http://purl.obolibrary.org/obo/CHEBI_38705 3_STAR
CHEBI:38706 biolink:ChemicalSubstance pediculicide Substance used to treat lice (genus Pediculus) infestation. phenio.json pediculicides http://purl.obolibrary.org/obo/CHEBI_38706 3_STAR
CHEBI:38708 biolink:ChemicalSubstance thiomalate(1-) phenio.json http://purl.obolibrary.org/obo/CHEBI_38708 3_STAR
CHEBI:38710 biolink:ChemicalSubstance thiomalate(2-) phenio.json http://purl.obolibrary.org/obo/CHEBI_38710 3_STAR
CHEBI:38715 biolink:ChemicalSubstance thiomalate(3-) Beilstein:4181562|Gmelin:327564 phenio.json 2-sulfidobutanedioate|2-sulfidosuccinate http://purl.obolibrary.org/obo/CHEBI_38715 3_STAR
CHEBI:38716 biolink:ChemicalSubstance carboxylic acid dianion Any dianion containing at least one carboxy group. phenio.json carboxylic acid dianion|carboxylic acid dianions http://purl.obolibrary.org/obo/CHEBI_38716 3_STAR
CHEBI:38717 biolink:ChemicalSubstance carboxylic acid trianion A trianion containing at least one carboxy group. phenio.json carboxylic acid trianion|carboxylic acid trianions http://purl.obolibrary.org/obo/CHEBI_38717 3_STAR
CHEBI:38723 biolink:ChemicalSubstance 5-methoxy-1,3,4-thiadiazol-2(3H)-one Beilstein:509707|CAS:17605-27-5 phenio.json 2-methoxy-5-oxo-Delta(2)-1,3,4-thiadiazoline|5-methoxy-1,3,4-thiadiazol-2(3H)-one|GS 12956|GS-12956 http://purl.obolibrary.org/obo/CHEBI_38723 3_STAR
CHEBI:38724 biolink:ChemicalSubstance pentamethoxyflavone A methoxyflavone that is flavone substituted by a five methoxy groups. phenio.json pentamethoxyflavones http://purl.obolibrary.org/obo/CHEBI_38724 3_STAR
CHEBI:38733 biolink:ChemicalSubstance benzodioxole phenio.json benzodioxole http://purl.obolibrary.org/obo/CHEBI_38733 3_STAR
CHEBI:38737 biolink:ChemicalSubstance tribufos Beilstein:1910992|CAS:78-48-8|PPDB:656 phenio.json Butifos|DEF|DEF defoliant|S,S,S-tributyl phosphorotrithioate|S,S,S-tributyl trithiophosphate|butyl phosphorotrithioate|phosphorotrithioic acid, S,S,S-tributyl ester|tribufos|tributylphosphorotrithioate http://purl.obolibrary.org/obo/CHEBI_38737 3_STAR
CHEBI:38738 biolink:ChemicalSubstance monomethoxyflavanone Any methoxyflavanone that is flavanone substituted by a methoxy group. phenio.json monomethoxyflavanones http://purl.obolibrary.org/obo/CHEBI_38738 3_STAR
CHEBI:38739 biolink:ChemicalSubstance trihydroxyflavanone A hydroxyflavanone carrying three hydroxy substituents. phenio.json trihydroxyflavanones http://purl.obolibrary.org/obo/CHEBI_38739 3_STAR
CHEBI:38740 biolink:ChemicalSubstance isoflavan The simplest member of the class of isoflavans that is chromane substituted by a phenyl substituent at position 3. Beilstein:152871 phenio.json 3-phenylchromane|isoflavan http://purl.obolibrary.org/obo/CHEBI_38740 3_STAR
CHEBI:38741 biolink:ChemicalSubstance isoflavanones Members of the class of isoflavans that have a 3,4-dihydro-3-aryl-2H-1-benzopyran-4-one skeleton and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_38741 3_STAR
CHEBI:38742 biolink:ChemicalSubstance tetrahydroxyflavanone A hydroxyflavanone with at least four hydroxy substituents. phenio.json tetrahydroxyflavanones http://purl.obolibrary.org/obo/CHEBI_38742 3_STAR
CHEBI:38744 biolink:ChemicalSubstance hexahydroxyflavanone phenio.json hexahydroxyflavanones http://purl.obolibrary.org/obo/CHEBI_38744 3_STAR
CHEBI:38745 biolink:ChemicalSubstance pentahydroxyflavanone phenio.json pentahydroxyflavanone|pentahydroxyflavanones http://purl.obolibrary.org/obo/CHEBI_38745 3_STAR
CHEBI:38747 biolink:ChemicalSubstance taxifolin A pentahydroxyflavanone that is the 2,3-dihydro derivative of quercetin. Beilstein:9812168 phenio.json rel-(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one|taxifolin http://purl.obolibrary.org/obo/CHEBI_38747 3_STAR
CHEBI:38748 biolink:ChemicalSubstance monohydroxyflavanone Any hydroxyflavanone carrying a single hydroxy substituent. phenio.json hydroxyflavanone http://purl.obolibrary.org/obo/CHEBI_38748 3_STAR
CHEBI:38749 biolink:ChemicalSubstance dihydroxyflavanone Any hydroxyflavanone carrying two hydroxy substituents. phenio.json dihydroxyflavanones http://purl.obolibrary.org/obo/CHEBI_38749 3_STAR
CHEBI:38751 biolink:ChemicalSubstance triamine Any polyamine that contained three amino groups. phenio.json triamines http://purl.obolibrary.org/obo/CHEBI_38751 3_STAR
CHEBI:38752 biolink:ChemicalSubstance benzenetriamine phenio.json benzenetriamine|triaminobenzene http://purl.obolibrary.org/obo/CHEBI_38752 3_STAR
CHEBI:38755 biolink:ChemicalSubstance hydroxyisoflavone Member of the class of isoflavones bearing at least one hydroxy group. phenio.json hydroxyisoflavones http://purl.obolibrary.org/obo/CHEBI_38755 3_STAR
CHEBI:38756 biolink:ChemicalSubstance methoxyisoflavone Members of the class of isoflavones with at least one methoxy substituent. phenio.json methoxyisoflavones http://purl.obolibrary.org/obo/CHEBI_38756 3_STAR
CHEBI:38757 biolink:ChemicalSubstance isoflavones Any isoflavonoid with a 3-aryl-1-benzopyran-4-one (3-aryl-4H-chromen-4-one) skeleton and its substituted derivatives. MetaCyc:Isoflavones phenio.json an isoflavone|isoflavones http://purl.obolibrary.org/obo/CHEBI_38757 3_STAR
CHEBI:38758 biolink:ChemicalSubstance isocoumarins phenio.json http://purl.obolibrary.org/obo/CHEBI_38758 3_STAR
CHEBI:38759 biolink:ChemicalSubstance isocoumarin The simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1. CAS:491-31-6|Reaxys:114343|Wikipedia:Isocoumarin phenio.json 1H-2-benzopyran-1-one|1H-isochromen-1-one|3,4-Benzo-2-pyrone http://purl.obolibrary.org/obo/CHEBI_38759 3_STAR
CHEBI:38760 biolink:ChemicalSubstance mellein An isochromane that is 3,4-dihydroisocoumarin bearing methyl and hydroxy substituents at positions 3 and 8 respectively. CAS:17397-85-2|PMID:17363259|PMID:18213494|PMID:18838830|PMID:19072711|PMID:20479969|Reaxys:83703 phenio.json 3,4-Dihydro-8-hydroxy-3-methyl-(1H)-2-benzopyran-1-one|3,4-Dihydro-8-hydroxy-3-methylisocoumarin|3,4-dihydro-8-hydroxy-3-methyl-1H-2-benzopyran-1-one|8-hydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one|8-hydroxy-3-methylisochroman-1-one|Ochracin http://purl.obolibrary.org/obo/CHEBI_38760 3_STAR
CHEBI:38761 biolink:ChemicalSubstance isochromenes phenio.json http://purl.obolibrary.org/obo/CHEBI_38761 3_STAR
CHEBI:38762 biolink:ChemicalSubstance isochromanes phenio.json http://purl.obolibrary.org/obo/CHEBI_38762 3_STAR
CHEBI:38763 biolink:ChemicalSubstance chromanone phenio.json chromanones http://purl.obolibrary.org/obo/CHEBI_38763 3_STAR
CHEBI:38767 biolink:ChemicalSubstance benzothiophenes phenio.json http://purl.obolibrary.org/obo/CHEBI_38767 3_STAR
CHEBI:38768 biolink:ChemicalSubstance phthalazines phenio.json http://purl.obolibrary.org/obo/CHEBI_38768 3_STAR
CHEBI:38769 biolink:ChemicalSubstance indazoles phenio.json http://purl.obolibrary.org/obo/CHEBI_38769 3_STAR
CHEBI:38770 biolink:ChemicalSubstance cinnolines Any organic heteropolycyclic compound based on the 1,2-diaza analogue of naphthalene and its substituted derivatives. phenio.json http://purl.obolibrary.org/obo/CHEBI_38770 3_STAR
CHEBI:38771 biolink:ChemicalSubstance quinoxaline derivative Any naphthyridine derivative that is a derivative of quinoxaline (1,4-naphthyridine). phenio.json quinoxaline derivatives|quinoxalines http://purl.obolibrary.org/obo/CHEBI_38771 3_STAR
CHEBI:38773 biolink:ChemicalSubstance quinolinemonocarboxylate A monocarboxylic acid anion that is the monoanion obtained by the deprotonation of the carboxy group attached to the quinoline skeleton phenio.json quinolinemonocarboxylates http://purl.obolibrary.org/obo/CHEBI_38773 3_STAR
CHEBI:38774 biolink:ChemicalSubstance hydroxyquinoline phenio.json hydroxyquinolines http://purl.obolibrary.org/obo/CHEBI_38774 3_STAR
CHEBI:38775 biolink:ChemicalSubstance monohydroxyquinoline A hydroxyquinoline carrying a single hydroxy substituent. phenio.json monohydroxyquinolines http://purl.obolibrary.org/obo/CHEBI_38775 3_STAR
CHEBI:38776 biolink:ChemicalSubstance imidazoquinoline phenio.json imidazoquinolines http://purl.obolibrary.org/obo/CHEBI_38776 3_STAR
CHEBI:38777 biolink:ChemicalSubstance azetidines phenio.json http://purl.obolibrary.org/obo/CHEBI_38777 3_STAR
CHEBI:38778 biolink:ChemicalSubstance triazinanes phenio.json http://purl.obolibrary.org/obo/CHEBI_38778 3_STAR
CHEBI:38779 biolink:ChemicalSubstance 1,3,5-triazinanes phenio.json http://purl.obolibrary.org/obo/CHEBI_38779 3_STAR
CHEBI:38780 biolink:ChemicalSubstance N-nitro compound A compound having the nitro group (-NO2) attached to a nitrogen atom. phenio.json N-nitro compounds http://purl.obolibrary.org/obo/CHEBI_38780 3_STAR
CHEBI:38785 biolink:ChemicalSubstance morpholines Any compound containing morpholine as part of its structure. phenio.json http://purl.obolibrary.org/obo/CHEBI_38785 3_STAR
CHEBI:38791 biolink:ChemicalSubstance azocanes phenio.json http://purl.obolibrary.org/obo/CHEBI_38791 3_STAR
CHEBI:38792 biolink:ChemicalSubstance azocane Beilstein:102615|CAS:1121-92-2|Gmelin:130714 phenio.json azacyclooctane|azocane|heptamethyleneimine|heptamethylenimine|octahydroazocine|perhydroazocine http://purl.obolibrary.org/obo/CHEBI_38792 3_STAR
CHEBI:38793 biolink:ChemicalSubstance pteroate phenio.json http://purl.obolibrary.org/obo/CHEBI_38793 3_STAR
CHEBI:38794 biolink:ChemicalSubstance pteroic acid CAS:119-24-4|DrugBank:DB04196 phenio.json Pteroic acid|Pteroinsaeure http://purl.obolibrary.org/obo/CHEBI_38794 3_STAR
CHEBI:38795 biolink:ChemicalSubstance pteroic acids phenio.json http://purl.obolibrary.org/obo/CHEBI_38795 3_STAR
CHEBI:38796 biolink:ChemicalSubstance pteroates phenio.json http://purl.obolibrary.org/obo/CHEBI_38796 3_STAR
CHEBI:38797 biolink:ChemicalSubstance dihydropterin phenio.json dihydropterins http://purl.obolibrary.org/obo/CHEBI_38797 3_STAR
CHEBI:38807 biolink:ChemicalSubstance calcium channel agonist Agents that increase calcium influx into calcium channels of excitable tissues. phenio.json calcium channel activator|calcium channel activators|calcium channel agonists http://purl.obolibrary.org/obo/CHEBI_38807 3_STAR
CHEBI:38808 biolink:ChemicalSubstance calcium channel modulator A membrane transport modulator that is able to regulate intracellular calcium levels. phenio.json calcium channel modulators http://purl.obolibrary.org/obo/CHEBI_38808 3_STAR
CHEBI:38809 biolink:ChemicalSubstance ryanodine receptor modulator phenio.json RyR modulator|ryanodine receptor modulators|ryanodine-sensitive calcium channel modulator|ryanodine-sensitive calcium-release channel modulator http://purl.obolibrary.org/obo/CHEBI_38809 3_STAR
CHEBI:38818 biolink:ChemicalSubstance N-methylcoclaurine phenio.json http://purl.obolibrary.org/obo/CHEBI_38818 1_STAR
CHEBI:38821 biolink:ChemicalSubstance quinoxaline pesticide A quinoxaline derivative that has pesticidal properties. phenio.json quinoxaline pesticides http://purl.obolibrary.org/obo/CHEBI_38821 3_STAR
CHEBI:38823 biolink:ChemicalSubstance diazepane phenio.json diazepanes http://purl.obolibrary.org/obo/CHEBI_38823 3_STAR
CHEBI:38824 biolink:ChemicalSubstance fluorocarbon Compounds consisting wholly of fluorine and carbon. phenio.json fluorocarbon|fluorocarbons http://purl.obolibrary.org/obo/CHEBI_38824 3_STAR
CHEBI:38825 biolink:ChemicalSubstance tetrafluoromethane Beilstein:1697288|CAS:75-73-0|Gmelin:2016 phenio.json CF4|Freon 14|Halon 14|Tetrafluorkohlenstoff|Tetrafluormethan|carbon tetrafluoride|perfluoromethane|tetrafluoridocarbon|tetrafluorocarbon|tetrafluoromethane http://purl.obolibrary.org/obo/CHEBI_38825 3_STAR
CHEBI:38826 biolink:ChemicalSubstance perfluorooctane Beilstein:1717142|CAS:307-34-6|Gmelin:614859 phenio.json 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane|Perfluoroctan|n-perfluorooctane|octadecafluorooctane|perfluorooctane http://purl.obolibrary.org/obo/CHEBI_38826 3_STAR
CHEBI:38828 biolink:ChemicalSubstance nonionic surfactant A surfactant with an uncharged hydrophilic headgroup. phenio.json non-ionic surfactant|nonionic surfactants http://purl.obolibrary.org/obo/CHEBI_38828 3_STAR
CHEBI:38830 biolink:ChemicalSubstance 1-benzofurans A member of the class of benzofurans consisting of a 1-benzofuran skeleton and its substituted derivatives thereof. phenio.json http://purl.obolibrary.org/obo/CHEBI_38830 3_STAR
CHEBI:38831 biolink:ChemicalSubstance 2-benzofurans phenio.json http://purl.obolibrary.org/obo/CHEBI_38831 3_STAR
CHEBI:38834 biolink:ChemicalSubstance benzofurochromene An organic heteropolycyclic compound whose skeleton consists of a chromene ring fused onto a 1-benzofuran ring, together with their substituted derivatives. phenio.json benzofurochromenes http://purl.obolibrary.org/obo/CHEBI_38834 3_STAR
CHEBI:38835 biolink:ChemicalSubstance xanthenes phenio.json http://purl.obolibrary.org/obo/CHEBI_38835 3_STAR
CHEBI:38836 biolink:ChemicalSubstance 1-benzothiophenes phenio.json http://purl.obolibrary.org/obo/CHEBI_38836 3_STAR
CHEBI:3884 biolink:ChemicalSubstance corilagin An ellagitannin with a hexahydroxydiphenoyl group bridging over the 3-O and 6-O of the glucose core. Beilstein:76352|CAS:23094-69-1|KEGG:C10219|KNApSAcK:C00002915|PMID:18486919 phenio.json (beta-1-O-galloyl-3,6-(R)-hexahydroxydiphenoyl-d-glucose)|1-O-galloyl-3,6-hexahydroxydiphenic acid-beta-D-glucopyranose|3-O,6-O-[carbonyl(4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl)carbonyl]-1-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose|Corilagin|gallotannin http://purl.obolibrary.org/obo/CHEBI_3884 3_STAR
CHEBI:38846 biolink:ChemicalSubstance phenoxyacetate A monocarboxylic acid anion that is the conjugate base of phenoxyacetic acid. Gmelin:328350|Reaxys:3905583 phenio.json phenoxyacetate http://purl.obolibrary.org/obo/CHEBI_38846 3_STAR
CHEBI:38853 biolink:ChemicalSubstance decalin An ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene. CAS:91-17-8|Gmelin:185147|PMID:23263676|PMID:23510204|PMID:24689596|Reaxys:878165|Wikipedia:Decalin phenio.json Decahydronaphthalin|Dekahydronaphthalin|Dekalin|Naphthan|bicyclo[4.4.0]decane|decahydronaphthalene|decalin|naphthane|perhydronaphthalene http://purl.obolibrary.org/obo/CHEBI_38853 3_STAR
CHEBI:38856 biolink:ChemicalSubstance halophenol phenio.json halophenol|halophenols http://purl.obolibrary.org/obo/CHEBI_38856 3_STAR
CHEBI:38867 biolink:ChemicalSubstance anaesthetic Substance which produces loss of feeling or sensation. phenio.json Anaesthetika|Anaesthetikum|anaesthetic|anaesthetics|anesthetic agent|anesthetic drug|anesthetics http://purl.obolibrary.org/obo/CHEBI_38867 3_STAR
CHEBI:38869 biolink:ChemicalSubstance general anaesthetic Substance that produces loss of consciousness. phenio.json Allgemeinanaesthetika|Allgemeinanaesthetikum|general anaesthetic|general anaesthetics|general anesthetics http://purl.obolibrary.org/obo/CHEBI_38869 3_STAR
CHEBI:38870 biolink:ChemicalSubstance inhalation anaesthetic phenio.json Inhalationsanaesthetika|Inhalationsanaesthetikum|Inhalationsnarkotika|Inhalationsnarkotikum|anesthetic gases|inhalation anesthetics http://purl.obolibrary.org/obo/CHEBI_38870 3_STAR
CHEBI:38877 biolink:ChemicalSubstance intravenous anaesthetic phenio.json i.v.-Anaesthetika|i.v.-Anaesthetikum|intravenous anesthetics http://purl.obolibrary.org/obo/CHEBI_38877 3_STAR
CHEBI:38879 biolink:ChemicalSubstance 1-phenylpyrazole A member of the class of pyrazoles that is 1H-pyrazole substituted by a phenyl group at position 1. CAS:1126-00-7|PMID:22933047|PMID:23168081|PMID:23595881|Reaxys:2594 phenio.json 1-phenyl-1H-pyrazole http://purl.obolibrary.org/obo/CHEBI_38879 3_STAR
CHEBI:38884 biolink:ChemicalSubstance diphenylmethane A diarylmethane that is methane substituted by two phenyl groups. CAS:101-81-5|Gmelin:27805|PMID:23749969|Reaxys:1904982|Wikipedia:Diphenylmethane phenio.json (phenylmethyl)benzene|1,1'-dimethylenebis(benzene)|1,1'-methylenebisbenzene|1,1'-methylenedibenzene|Diphenylmethan|alpha-phenyltoluene|benzylbenzene|diphenylmethane|ditan http://purl.obolibrary.org/obo/CHEBI_38884 3_STAR
CHEBI:38906 biolink:ChemicalSubstance sodium cyanate Beilstein:3655041|CAS:917-61-3 phenio.json NaOCN|Natriumcyanat|Natriumzyanat|cyanic acid, sodium salt|sodium cyanate http://purl.obolibrary.org/obo/CHEBI_38906 3_STAR
CHEBI:38914 biolink:ChemicalSubstance imidothiocarbamic ester phenio.json http://purl.obolibrary.org/obo/CHEBI_38914 1_STAR
CHEBI:3892 biolink:ChemicalSubstance corticotropin A polypeptide hormone produced and secreted by the pituitary gland comprising 39 amino acid residues coupled in a linear sequence. The N-terminal 24-amino acid segment is identical in all species and contains the adrenocorticotrophic activity. Corticotropin stimulates the cortex of the adrenal gland and boosts the synthesis of corticosteroids, mainly glucocorticoids but also sex steroids (androgens). It is used in the treatment of certain neurological disorders such as infantile spasms and multiple sclerosis, and diagnostically to investigate adrenocortical insufficiency. CAS:9002-60-2|DrugBank:DB01285|Drug_Central:4931|KEGG:C02017|KEGG:D00146 phenio.json ACTH|Adrenocorticotropic hormone|Corticotropin|L-seryl-L-tyrosyl-L-seryl-L-methionyl-L-alpha-glutamyl-L-histidyl-L-phenylalanyl-L-arginyl-L-tryptophylglycyl-L-lysyl-L-prolyl-L-valylglycyl-L-lysyl-L-lysyl-L-arginyl-L-arginyl-L-prolyl-L-valyl-L-lysyl-L-valyl-L-tyrosyl-L-prolyl-L-alpha-aspartylglycyl-L-alanyl-L-alpha-glutamyl-L-alpha-aspartyl-L-alpha-glutamyl-L-seryl-L-alanyl-L-alpha-glutamyl-L-alanyl-L-phenylalanyl-L-prolyl-L-leucyl-L-alpha-glutamyl-L-phenylalanine|SYSMEHFRWGKPVGKKRRPVKVYPDGAEDQLAEAFPLEF|adrenocorticotropin|corticotrofina|corticotrophine|corticotrophinum|corticotropin|cortrophin http://purl.obolibrary.org/obo/CHEBI_3892 3_STAR
CHEBI:38920 biolink:ChemicalSubstance benzochromene phenio.json benzochromenes http://purl.obolibrary.org/obo/CHEBI_38920 3_STAR
CHEBI:38921 biolink:ChemicalSubstance pyridoquinoline phenio.json pyridoquinolines http://purl.obolibrary.org/obo/CHEBI_38921 3_STAR
CHEBI:38922 biolink:ChemicalSubstance dibenzofurans Any organic heterotricyclic compound based on a dibenzofuran skeleton and its substituted derivatives thereof. phenio.json http://purl.obolibrary.org/obo/CHEBI_38922 3_STAR
CHEBI:38924 biolink:ChemicalSubstance dibenzothiepine phenio.json dibenzothiepines http://purl.obolibrary.org/obo/CHEBI_38924 3_STAR
CHEBI:38925 biolink:ChemicalSubstance benzopteridine phenio.json benzopteridines http://purl.obolibrary.org/obo/CHEBI_38925 3_STAR
CHEBI:38926 biolink:ChemicalSubstance dibenzooxepine phenio.json dibenzooxepines http://purl.obolibrary.org/obo/CHEBI_38926 3_STAR
CHEBI:38927 biolink:ChemicalSubstance pelitinib CAS:257933-82-7 phenio.json (2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide|(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide|EKB-569|Pelitinib http://purl.obolibrary.org/obo/CHEBI_38927 3_STAR
CHEBI:38932 biolink:ChemicalSubstance pyridopyrimidine Any organic heterobicyclic compound consisting of a pyridine ring ortho-fused at any position to a pyrimidine ring. phenio.json pyridopyrimidine|pyridopyrimidines http://purl.obolibrary.org/obo/CHEBI_38932 3_STAR
CHEBI:38933 biolink:ChemicalSubstance 3-aminopropane-1-thiol Beilstein:1731100|CAS:462-47-5|Gmelin:323420 phenio.json 3-amino-1-propanethiol|3-aminopropane-1-thiol|3-aminopropanethiol|3-mercaptopropylamine|homocysteamine http://purl.obolibrary.org/obo/CHEBI_38933 3_STAR
CHEBI:38934 biolink:ChemicalSubstance purvalanol phenio.json purvalanols http://purl.obolibrary.org/obo/CHEBI_38934 3_STAR
CHEBI:38940 biolink:ChemicalSubstance sunitinib CAS:557795-19-4|DrugBank:DB01268|Drug_Central:2544|HMDB:HMDB0015397|PMID:12531805|PMID:16845442|PMID:16916320|PMID:17327610|PMID:17962201|PMID:18971320|PMID:19830602|PMID:20406969|PMID:21792888|PMID:24188025|PMID:24393200|PMID:24402960|PMID:24403097|PMID:24521256|Wikipedia:Sunitinib phenio.json N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide|SU-11248|Sunitinib|Sutent|sunitinib|sunitinibum http://purl.obolibrary.org/obo/CHEBI_38940 3_STAR
CHEBI:38941 biolink:ChemicalSubstance schistosomicide drug Drugs that used to treat infestations by flukes (trematodes) of the genus Schistosoma. phenio.json antischistosoma|antischistosomal drug|schistosomicide|schistosomicide drugs|schistosomicides http://purl.obolibrary.org/obo/CHEBI_38941 3_STAR
CHEBI:38956 biolink:ChemicalSubstance ectoparasiticide Wikipedia:Ectoparasiticide phenio.json ectoparasiticides http://purl.obolibrary.org/obo/CHEBI_38956 3_STAR
CHEBI:38958 biolink:ChemicalSubstance indole alkaloid An alkaloid containing an indole skeleton. KEGG:C06073|Wikipedia:Indole_alkaloid phenio.json Indole alkaloid|indole alkaloids http://purl.obolibrary.org/obo/CHEBI_38958 3_STAR
CHEBI:38967 biolink:ChemicalSubstance 1-phenyl-1H-1,2,4-triazole Beilstein:116495|CAS:13423-60-4 phenio.json 1-phenyl-1H-1,2,4-triazole http://purl.obolibrary.org/obo/CHEBI_38967 3_STAR
CHEBI:38975 biolink:ChemicalSubstance methylbenzene Any alkylbenzene that is benzene substituted with one or more methyl groups. phenio.json methylbenzenes http://purl.obolibrary.org/obo/CHEBI_38975 3_STAR
CHEBI:38976 biolink:ChemicalSubstance alkylbenzene A monocyclic arene that is benzene substituted with one or more alkyl groups. phenio.json Alkylbenzol|alkylbenzene|alkylbenzenes http://purl.obolibrary.org/obo/CHEBI_38976 3_STAR
CHEBI:38993 biolink:ChemicalSubstance anthroic acid Any aromatic carboxylic acid that is anthracene substituted by a carboxy group at unspecified position. phenio.json anthracenecarboxylic acid|anthroic acids http://purl.obolibrary.org/obo/CHEBI_38993 3_STAR
CHEBI:38999 biolink:ChemicalSubstance GABA-gated chloride channel antagonist phenio.json GABA-gated chloride channel antagonists http://purl.obolibrary.org/obo/CHEBI_38999 3_STAR
CHEBI:3900 biolink:ChemicalSubstance costunolide A germacranolide with anthelminthic, antiparasitic and antiviral activities. CAS:553-21-9|KEGG:C09382|KNApSAcK:C00003240|PMID:11534769|PMID:11912066|PMID:14510592|PMID:18409040|PMID:6476889|Patent:KR20000066932|Reaxys:14451|Wikipedia:Costunolide phenio.json (+)-costunolide|(10S,1R)-3,7-dimethyl-11-methylene-13-oxabicyclo[8.3.0]trideca-2,6-dien-12-one|(3aS,6E,10E)-3-methylene-6,10-dimethyl-2,3,3abeta,4,5,8,9,11aalpha-octahydrocyclodeca[b]furan-2-one|(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one|(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2(3H)-one|(E,E)-6-alpha-Hydroxygermacra-1(10),4,11(13)-trien-12-oic acid gamma-lactone|(E,E)-germacra-1(10),4,11(13)-trien-12-oic acid, 6-alpha-hydroxy-gamma-lactone|Costunlide|Costunolid|Costunolide|Costus lactone http://purl.obolibrary.org/obo/CHEBI_3900 3_STAR
CHEBI:39000 biolink:ChemicalSubstance sodium channel modulator phenio.json sodium channel modulators http://purl.obolibrary.org/obo/CHEBI_39000 3_STAR
CHEBI:3901 biolink:ChemicalSubstance cosyntropin