id category name description xref provided_by synonym iri object predicate relation same_as subject subsets CHEBI:51503 biolink:ChemicalSubstance (eta(5)-cyclopentadienyl)methylzinc MolBase:1642|Gmelin:142021 chebi.json (cyclopentadienyl)methylzinc|(eta(5)-cyclopentadienyl)(methyl)zinc|[ZnMeCp]|(eta(5)-cyclopenta-2,4-dien-1-yl)(methyl)zinc http://purl.obolibrary.org/obo/CHEBI_51503 3_STAR CHEBI:26547 biolink:ChemicalSubstance rhamnoside chebi.json rhamnosides|rhamnoside http://purl.obolibrary.org/obo/CHEBI_26547 3_STAR CHEBI:51504 biolink:ChemicalSubstance rhodium carbene An organorhodium compound containing a carbon-rhodium double bond. chebi.json rhodium carbenes http://purl.obolibrary.org/obo/CHEBI_51504 3_STAR CHEBI:26548 biolink:ChemicalSubstance rhamnosylglucoside chebi.json rhamnosylglucosides|rhamnosylglucoside http://purl.obolibrary.org/obo/CHEBI_26548 3_STAR CHEBI:51505 biolink:ChemicalSubstance chloro(diphenylmethylidene)bis[tris(isopropyl)phosphane]rhodium Gmelin:909656 chebi.json chlorido(diphenylmethylidene)bis[tris(propan-2-yl)phosphane]rhodium|chloro(diphenylmethylidene)bis[tris(1-methylethyl)phosphane]rhodium|[Rh(=CPh2)Cl(PiPr3)2] http://purl.obolibrary.org/obo/CHEBI_51505 3_STAR CHEBI:26549 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26549 CHEBI:51506 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_51506 CHEBI:26543 biolink:ChemicalSubstance rhamnogalacturonan chebi.json http://purl.obolibrary.org/obo/CHEBI_26543 1_STAR CHEBI:26544 biolink:ChemicalSubstance rhamnonate chebi.json http://purl.obolibrary.org/obo/CHEBI_26544 3_STAR CHEBI:51501 biolink:ChemicalSubstance diarylzinc compound An organozinc compound where the zinc atom is bound to two aryl groups. chebi.json diarylzinc compounds http://purl.obolibrary.org/obo/CHEBI_51501 3_STAR CHEBI:26545 biolink:ChemicalSubstance rhamnonolactone chebi.json rhamnonolactones http://purl.obolibrary.org/obo/CHEBI_26545 3_STAR CHEBI:51502 biolink:ChemicalSubstance cryptocyanin CAS:4727-50-8|CAS:4727-50-8|Beilstein:4116840 chebi.json Kryptocyanin|Cryptocyanine iodide|Kryptocyanine iodide|Kryptocyanine|1-ethyl-4-[3-(1-ethylquinolin-4(1H)-ylidene)prop-1-en-1-yl]quinolinium iodide|Cryptocyanine|1,1'-Diethyl-4,4'-carbocyanine iodide|1,1'-Diethylquino-(4)-carbocyanine iodide|1,1'-Diethyl-4,4'-quinocarbocyanine iodide http://purl.obolibrary.org/obo/CHEBI_51502 3_STAR CHEBI:26546 biolink:ChemicalSubstance rhamnose A deoxymannose sugar that is the 6-deoxy derivative of hexose. PMID:24211429|PMID:24831810 chebi.json ramnose http://purl.obolibrary.org/obo/CHEBI_26546 3_STAR CHEBI:26540 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26540 CHEBI:26541 biolink:ChemicalSubstance all-trans-retinyl group A prenyl group obtained by removal of the hydroxy group from all-trans-retinol. chebi.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|retinyl http://purl.obolibrary.org/obo/CHEBI_26541 3_STAR CHEBI:26542 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26542 CHEBI:51507 biolink:ChemicalSubstance benzil An alpha-diketone that is ethane-1,2-dione substituted by phenyl groups at positions 1 and 2 respectively. Beilstein:608047|Reaxys:608047|CAS:134-81-6|CAS:134-81-6|MetaCyc:CPD-13931|PMID:24468984|PMID:22805786|KEGG:C20226|Wikipedia:Benzil chebi.json Diphenylglyoxal|Diphenylethanedione|1,2-diphenylethane-1,2-dione|benzil|Bibenzoyl http://purl.obolibrary.org/obo/CHEBI_51507 3_STAR CHEBI:51508 biolink:ChemicalSubstance carbonyl(eta(5)-cyclopentadienyl)(1,3-dimethylimidazolidin-2-ylidene)rhodium Gmelin:794506 chebi.json carbonyl(eta(5)-cyclopentadienyl)(1,3-dimethylimidazolidin-2-ylidene)rhodium http://purl.obolibrary.org/obo/CHEBI_51508 3_STAR CHEBI:51509 biolink:ChemicalSubstance (R)-benzoin Beilstein:3200191 chebi.json (2R)-2-hydroxy-1,2-diphenylethanone|(R)-benzoin|(R)-(-)-benzoin http://purl.obolibrary.org/obo/CHEBI_51509 3_STAR CHEBI:26558 biolink:ChemicalSubstance ribonucleoside monophosphate chebi.json ribonucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26558 3_STAR CHEBI:26559 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26559 CHEBI:26554 biolink:ChemicalSubstance ribitol phosphate chebi.json ribitol phosphates|ribitol phosphate http://purl.obolibrary.org/obo/CHEBI_26554 3_STAR CHEBI:26556 biolink:ChemicalSubstance 1-ribosylimidazolecarboxamide chebi.json 1-ribosylimidazolecarboxamides http://purl.obolibrary.org/obo/CHEBI_26556 3_STAR CHEBI:26557 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26557 CHEBI:26550 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26550 CHEBI:26551 biolink:ChemicalSubstance ribaric acid chebi.json http://purl.obolibrary.org/obo/CHEBI_26551 1_STAR CHEBI:26552 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26552 CHEBI:26553 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26553 CHEBI:26525 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26525 CHEBI:26526 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26526 CHEBI:26527 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26527 CHEBI:26528 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26528 CHEBI:26521 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26521 CHEBI:26522 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26522 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 chebi.json ROS http://purl.obolibrary.org/obo/CHEBI_26523 3_STAR CHEBI:26524 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26524 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). PMID:24506204|LINCS:LSM-2135 chebi.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. chebi.json retinoids|retinoids|retinoid http://purl.obolibrary.org/obo/CHEBI_26537 3_STAR CHEBI:26538 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26538 CHEBI:26539 biolink:ChemicalSubstance retinoyl group chebi.json retinoyl|(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoyl http://purl.obolibrary.org/obo/CHEBI_26539 3_STAR CHEBI:26532 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26532 CHEBI:26533 biolink:ChemicalSubstance reticuline PMID:25973480|CAS:485-19-8|Beilstein:6004801|Beilstein:95672|Beilstein:338033|KEGG:C12328 chebi.json 1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol|(R,S)-Reticuline http://purl.obolibrary.org/obo/CHEBI_26533 3_STAR CHEBI:26534 biolink:ChemicalSubstance retinals chebi.json http://purl.obolibrary.org/obo/CHEBI_26534 3_STAR CHEBI:26535 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26535 CHEBI:26530 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26530 CHEBI:26531 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26531 CHEBI:26503 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26503 CHEBI:26504 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26504 CHEBI:26505 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26505 CHEBI:26506 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26506 CHEBI:26500 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26500 CHEBI:26501 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26501 CHEBI:26502 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26502 CHEBI:9728 biolink:ChemicalSubstance trimethaphan A complex heterocyclic sulfonium compound with an imidazolium core, used to treat hypertension. CAS:7187-66-8|CAS:7187-66-8|KEGG:C07174|Drug_Central:2752|DrugBank:DB01116 chebi.json Trimetaphanum|Trimethaphan|Trimetaphan|1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium http://purl.obolibrary.org/obo/CHEBI_9728 3_STAR CHEBI:9729 biolink:ChemicalSubstance trimethaphan camsylate The (S)-camphorsulfonate salt of trimethaphan. CAS:68-91-7|Reaxys:4114455|PMID:98729|PMID:734220|PMID:6196640|PMID:938175|KEGG:D00612|PMID:14160165|Beilstein:4114455 chebi.json Trimetaphan camsylate|Trimethaphan 10-camphorsulfonate|d-3,4-(1',3'-Dibenzyl-2'-ketoimidazolido)-1,2-trimethylenethiophanium d-camphorsulfonate|trimetaphani camsilas|1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)thiolium 10-camphorsulfonate|Trimetaphan camsilate|Trimetaphan camphorsulfonate|(+)-1,3-Dibenzyldecahydro-2-oxoimidazo(4,5-c)thieno(1,2-a)-thiolium 2-oxo-10-bornanesulfonate (1:1)|camsilate de trimetaphan|1,3-dibenzyl-2-oxodecahydrothieno[1',2':1,2]thieno[3,4-d]imidazol-5-ium [(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulfonate|trimetaphan camsilate|trimethaphan camphorsulphonate|Trimethaphan camphorsulfonate|cansilato de trimetafano|1,3-Dibenzyldecahydro-2-oxo-imidazo(4,5-c)thieno(1,2-a)thiolium 2-oxo-10-boranesulfonate http://purl.obolibrary.org/obo/CHEBI_9729 3_STAR CHEBI:9724 biolink:ChemicalSubstance Trilobolide CAS:50657-07-3|KNApSAcK:C00003377|KEGG:C09563 chebi.json Trilobolide http://purl.obolibrary.org/obo/CHEBI_9724 2_STAR CHEBI:9725 biolink:ChemicalSubstance Trimeprazine HMDB:HMDB0015376|LINCS:LSM-1599|KEGG:C07172|CAS:84-96-8|Drug_Central:2749|KEGG:D07125 chebi.json alimemazine tartrate|alimezine|Alimemazine|teralene|Methylpromazine|trimeprazine|temaril|Trimeprazine http://purl.obolibrary.org/obo/CHEBI_9725 2_STAR CHEBI:9726 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9726 CHEBI:9727 biolink:ChemicalSubstance Trimethadione HMDB:HMDB0014491|KEGG:D00392|LINCS:LSM-5345|CAS:127-48-0|Drug_Central:2751|CAS:127-48-0 chebi.json Trimethadione|Tridione (TN)|tridione|trimetin|trimetadione http://purl.obolibrary.org/obo/CHEBI_9727 2_STAR CHEBI:9720 biolink:ChemicalSubstance Trihexyphenidyl HMDB:HMDB0014520|CAS:144-11-6|LINCS:LSM-5060|KEGG:D08638|Drug_Central:2745|KEGG:C07171 chebi.json benzhexol hydrochloride|trihexyphenidyl HCl|Trihexyphenidyl|benzhexol HCl|benzhexol|trihexyphenidyl hydrochloride http://purl.obolibrary.org/obo/CHEBI_9720 2_STAR CHEBI:9721 biolink:ChemicalSubstance Trihexyphenidyl hydrochloride CAS:52-49-3|KEGG:D00787 chebi.json Artane|Trihexyphenidyl hydrochloride http://purl.obolibrary.org/obo/CHEBI_9721 2_STAR CHEBI:9722 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9722 CHEBI:9723 biolink:ChemicalSubstance Trilobine KEGG:C09669|CAS:6138-73-4|KNApSAcK:C00001926 chebi.json Trilobine http://purl.obolibrary.org/obo/CHEBI_9723 2_STAR CHEBI:26507 biolink:ChemicalSubstance dihydroxyquinoline Any hydroxyquinoline in which the number of hydroxy substituents is specified as two. chebi.json dihydroxyquinolines http://purl.obolibrary.org/obo/CHEBI_26507 3_STAR CHEBI:26508 biolink:ChemicalSubstance quinoline N-oxide chebi.json quinoline N-oxides http://purl.obolibrary.org/obo/CHEBI_26508 3_STAR CHEBI:26509 biolink:ChemicalSubstance quinoline alkaloid chebi.json quinoline alkaloids http://purl.obolibrary.org/obo/CHEBI_26509 3_STAR CHEBI:26514 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26514 CHEBI:26515 biolink:ChemicalSubstance quinolizidine alkaloid chebi.json quinolizidine alkaloids http://purl.obolibrary.org/obo/CHEBI_26515 3_STAR CHEBI:26516 biolink:ChemicalSubstance quinolizidines chebi.json http://purl.obolibrary.org/obo/CHEBI_26516 3_STAR CHEBI:26517 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26517 CHEBI:26511 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26511 CHEBI:26512 biolink:ChemicalSubstance quinolinemonocarboxylic acid Any aromatic carboxylic acid that contains a quinoline moiety that is substituted by one carboxy substituent. chebi.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. chebi.json http://purl.obolibrary.org/obo/CHEBI_26513 3_STAR CHEBI:9739 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9739 CHEBI:9735 biolink:ChemicalSubstance Trimethylenetetraurea KEGG:C06386 chebi.json Trimethylenetetraurea http://purl.obolibrary.org/obo/CHEBI_9735 2_STAR CHEBI:9736 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9736 CHEBI:9737 biolink:ChemicalSubstance trimetrexate Drug_Central:2757|CAS:52128-35-5|PDBeChem:TMQ|KEGG:C11154|KEGG:D06238 chebi.json trimetrexate hydrate|CI-898|Trimetrexate|trimetrexate glucuronate|TRIMETREXATE|2,4-diamino-5-methyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}quinazolin-1-ium|JB-11 http://purl.obolibrary.org/obo/CHEBI_9737 2_STAR CHEBI:9738 biolink:ChemicalSubstance trimipramine A dibenzoazepine that is 10,11-dihydro-5H-dibenzo[b,f]azepine substituted by a 3-(dimethylamino)-2-methylpropyl group at the nitrogen atom. It is used as an antidepressant. Beilstein:1321466|CAS:739-71-9|Reaxys:1321466|PMID:25178259|KEGG:D00394|Drug_Central:2758|PMID:22642681|DrugBank:DB00726|LINCS:LSM-1371|HMDB:HMDB0014864|Patent:CN103893187|CAS:739-71-9|Wikipedia:Trimipramine chebi.json trimeproprimine|5-(gamma-dimethylamino-beta-methylpropyl)-10,11-dihydro-5H-dibenzo[b,f]azepine|Trimipramine|RP-7162|Sapilent|3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N,2-trimethylpropan-1-amine|5-[3-(dimethylamino)-2-methylpropyl]-10,11-dihydro-5H-dibenz[b,f]azepine|Trimeprimine|10,11-dihydro-N,N,beta-trimethyl-5H-dibenz[b,f]azepine-5-propanamine|beta-methylimipramine http://purl.obolibrary.org/obo/CHEBI_9738 3_STAR CHEBI:9731 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9731 CHEBI:9732 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9732 CHEBI:9733 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9733 CHEBI:26518 biolink:ChemicalSubstance quinuclidines chebi.json http://purl.obolibrary.org/obo/CHEBI_26518 3_STAR CHEBI:26519 biolink:ChemicalSubstance radical A molecular entity possessing an unpaired electron. chebi.json radicales libres|radical libre|free radical|radicals|Radikale|Radikal|freies Radikal|radical http://purl.obolibrary.org/obo/CHEBI_26519 3_STAR CHEBI:9730 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9730 CHEBI:99503 biolink:ChemicalSubstance (3S,6aS,8R,10aS)-3-hydroxy-N-(2-methoxyphenyl)-8-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide LINCS:LSM-10882 chebi.json http://purl.obolibrary.org/obo/CHEBI_99503 2_STAR CHEBI:99504 biolink:ChemicalSubstance N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-1-methyl-4-imidazolesulfonamide LINCS:LSM-10883 chebi.json http://purl.obolibrary.org/obo/CHEBI_99504 2_STAR CHEBI:99505 biolink:ChemicalSubstance N-[(5S,6S,9S)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide LINCS:LSM-10884 chebi.json http://purl.obolibrary.org/obo/CHEBI_99505 2_STAR CHEBI:99506 biolink:ChemicalSubstance N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide LINCS:LSM-10885 chebi.json http://purl.obolibrary.org/obo/CHEBI_99506 2_STAR CHEBI:99507 biolink:ChemicalSubstance 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(2-methoxy-1-oxoethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide LINCS:LSM-10886 chebi.json http://purl.obolibrary.org/obo/CHEBI_99507 2_STAR CHEBI:99508 biolink:ChemicalSubstance LSM-10887 LINCS:LSM-10887 chebi.json http://purl.obolibrary.org/obo/CHEBI_99508 2_STAR CHEBI:99509 biolink:ChemicalSubstance N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide LINCS:LSM-10888 chebi.json http://purl.obolibrary.org/obo/CHEBI_99509 2_STAR CHEBI:9706 biolink:ChemicalSubstance Trientine hydrochloride KEGG:D00736|CAS:38260-01-4 chebi.json Trientine hydrochloride|Triethylenetetramine dihydrochloride|Syprine http://purl.obolibrary.org/obo/CHEBI_9706 2_STAR CHEBI:9707 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9707 CHEBI:9708 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9708 CHEBI:9709 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9709 CHEBI:9702 biolink:ChemicalSubstance tridihexethyl bromide DrugBank:DB00505|KEGG:C11761|Beilstein:3804036 chebi.json 3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium bromide|Tridihexethyl bromide http://purl.obolibrary.org/obo/CHEBI_9702 3_STAR CHEBI:9703 biolink:ChemicalSubstance tridihexethyl chloride KEGG:D00723|CAS:4310-35-4|DrugBank:DB00505|Beilstein:4067320 chebi.json (3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium chloride|3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium chloride http://purl.obolibrary.org/obo/CHEBI_9703 3_STAR CHEBI:9704 biolink:ChemicalSubstance tridihexethyl iodide Patent:US2913494|KEGG:C07862|Beilstein:3802106|DrugBank:DB00505|CAS:125-99-5 chebi.json 3-Diethylamino-1-cyclohexyl-1-phenyl-1-propanol ethiodide|Trihexethyl iodide|tridihexethyli iodidum|(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)triethylammonium iodide|Tridihexethyl iodide|alpha-(2-Diethylaminoethyl)-alpha-phenylcyclohexanemethanol ethiodide|3-Diethylamino-1-phenyl-1-cyclohexyl-1-propanol ethiodide|ioduro de tridihexetilo|3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium iodide|iodure de tridihexethyl|1-Cyclohexyl-3-diethylamino-1-phenyl-1-propanol ethiodide|Propethonum iodide|tridihexethyl iodide http://purl.obolibrary.org/obo/CHEBI_9704 3_STAR CHEBI:9705 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9705 CHEBI:9700 biolink:ChemicalSubstance tridemorph A mixture of 4-alkyl-2,6-dimethylmorpholines, where 'alkyl' is a mixture of C11 to C14 homologues of which 60-70% is tridecyl. A systemic fungicide, it is no longer approved for use within the European Union. AGR:IND84012971|PMID:1841872|CAS:81412-43-3|Reaxys:8389338|Patent:BE614214|KEGG:C11285|Patent:US3468885|Wikipedia:Tridemorph|AGR:IND93043841|Pesticides:tridemorph|CAS:81412-43-3|PMID:15092713|HMDB:HMDB0031810|PMID:6740510 chebi.json Tridemorph|Calixin|tridemorphe|BAS 2203F http://purl.obolibrary.org/obo/CHEBI_9700 3_STAR CHEBI:9701 biolink:ChemicalSubstance tridihexethyl Drug_Central:2737|CAS:60-49-1|LINCS:LSM-4996|DrugBank:DB00505|Beilstein:3911680|Wikipedia:Tridihexethyl|KEGG:C07861 chebi.json Propethonum|3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium|Tridihexethyl http://purl.obolibrary.org/obo/CHEBI_9701 3_STAR CHEBI:99500 biolink:ChemicalSubstance LSM-10879 LINCS:LSM-10879 chebi.json http://purl.obolibrary.org/obo/CHEBI_99500 2_STAR CHEBI:99501 biolink:ChemicalSubstance 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide LINCS:LSM-10880 chebi.json http://purl.obolibrary.org/obo/CHEBI_99501 2_STAR CHEBI:99502 biolink:ChemicalSubstance 2-[(2S,4aS,12aR)-8-[[(4-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[2-(1-piperidinyl)ethyl]acetamide LINCS:LSM-10881 chebi.json http://purl.obolibrary.org/obo/CHEBI_99502 2_STAR CHEBI:9717 biolink:ChemicalSubstance Triglochinin KEGG:C08342|CAS:28876-11-1|KNApSAcK:C00001457 chebi.json 2-Hexenedioic acid,4-(cyano(beta-D-glucopyranosyloxy)methylene)-, (E,Z)-|Triglochinin http://purl.obolibrary.org/obo/CHEBI_9717 2_STAR CHEBI:9718 biolink:ChemicalSubstance Trigonelloside C CAS:60478-69-5|KEGG:C08917|KNApSAcK:C00003596 chebi.json Trigonelloside C|Asparasaponin I http://purl.obolibrary.org/obo/CHEBI_9718 2_STAR CHEBI:9719 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9719 CHEBI:9713 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9713 CHEBI:9714 biolink:ChemicalSubstance Trifolirhizin CAS:6807-83-6|KEGG:C10538|KNApSAcK:C00010186 chebi.json (-)-Maackiain 3-O-glucoside|Trifolirhizin http://purl.obolibrary.org/obo/CHEBI_9714 2_STAR CHEBI:9715 biolink:ChemicalSubstance triforine A member of the class of N-alkylpiperazines in which the two amino groups of piperazine are replaced by 1-formamido-2,2,2-trichloroethyl groups. A fungicide active against a range of diseases including powdery mildew, scab and rust. PMID:2471555|PMID:7821004|PMID:15052559|Pesticides:triforine|Patent:EP0031454|PMID:1267484|PMID:597629|KEGG:C10960|PMID:24122157|PMID:890154|CAS:26644-46-2|Patent:US3975527|Reaxys:626358|PMID:1002932|PPDB:669|CAS:26644-46-2|PMID:680740 chebi.json N,N'-(Piperazine-1,4-diylbis((trichloromethyl)methylene))diformamide|1,4-Bis(1-formamido-2,2,2-trichloroethyl)piperazine|1,4-Bis(2,2,2-trichloro-1-formamidoethyl)piperazine|N,N'-(1,4-Piperazinediylbis(2,2,2-trichloroethylidene))bisformamide|N,N'-[piperazine-1,4-diylbis(2,2,2-trichloroethane-1,1-diyl)]diformamide|Funginex|Biformylchlorazin http://purl.obolibrary.org/obo/CHEBI_9715 3_STAR CHEBI:9710 biolink:ChemicalSubstance trifluoperazine hydrochloride Beilstein:3820024|DrugBank:DB00831|KEGG:D00799|CAS:440-17-5 chebi.json Trifluoroperazine dihydrochloride|Trifluoperazine dihydrochloride|Trifluperazine dihydrochloride|2-Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine dihydrochloride|10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine dihydrochloride|Trifluoperazine HCl http://purl.obolibrary.org/obo/CHEBI_9710 3_STAR CHEBI:9711 biolink:ChemicalSubstance triflupromazine A member of the class of phenothiazines that is 10H-phenothiazine having a trifluoromethyl subsitituent at the 2-position and a 3-(dimethylamino)propyl group at the N-10 position. Beilstein:335308|Reaxys:335308|KEGG:D00390|Drug_Central:2742|DrugBank:DB00508|PMID:24959397|Wikipedia:Triflupromazine|HMDB:HMDB0014650|CAS:146-54-3|Patent:GB813861|LINCS:LSM-3421|PMID:1650428 chebi.json triflupromazine|triflupromazina|N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-amine|2-(Trifluoromethyl)promazine|trifluopromazine|10-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)phenothiazine|2-Trifluoromethyl-10-(gamma-dimethylaminopropyl)phenothiazine|triflupromazinum http://purl.obolibrary.org/obo/CHEBI_9711 3_STAR CHEBI:9712 biolink:ChemicalSubstance triflupromazine hydrochloride DrugBank:DB00508|KEGG:D00800|CAS:1098-60-8|Beilstein:3801519 chebi.json 10-(3-Dimethylaminopropyl)-2-(trifluoromethyl)phenothiazine hydrochloride|Triflupromazine hydrochloride|Fluopromazine monohydrochloride|Triflupromazine HCl|Triflupromazine monohydrochloride|Trifluopromazine hydrochloride|10-(3-(Dimethylamino)propyl)-2-(trifluoromethyl)phenothiazine monohydrochloride|N,N-dimethyl-3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propan-1-amine hydrochloride http://purl.obolibrary.org/obo/CHEBI_9712 3_STAR CHEBI:9770 biolink:ChemicalSubstance Tsukushinamine A CAS:70711-82-9|KEGG:C10791|KNApSAcK:C00002240 chebi.json Tsukushinamine A http://purl.obolibrary.org/obo/CHEBI_9770 2_STAR CHEBI:145600 biolink:ChemicalSubstance 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranose An alpha-L-arabinofuranoside resulting from the formal condensation of the 6-hydroxy group of beta-D-glucopyranose with the anomeric hydroxy group of alpha-L-arabinofuranose. GlyTouCan:G27854BF|GlyGen:G27854BF chebi.json 6-O-alpha-L-arabinofuranosyl-beta-D-glucopyranose|Araf(a1-6)b-Glc|(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol|beta-D-glucopyranose-6-O-alpha-L-arabinofuranoside|alpha-D-Araf-(1->6)-beta-D-Glcp|WURCS=2.0/2,2,1/[a2122h-1b_1-5][a211h-1a_1-4]/1-2/a6-b1 http://purl.obolibrary.org/obo/CHEBI_145600 3_STAR CHEBI:51587 biolink:ChemicalSubstance subphthalocyanine A cyclic tripyrrole derivative that consists of three isoindole-type units, with the connecting carbon atoms replaced by nitrogen. The parent of the class of subphthalocyanines. chebi.json (2Z,10Z,20Z)-2,11,20,28,29,30-hexaazaheptacyclo[19.6.1.1(3,10).1(12,19).0(4,9).0(13,18).0(22,27)]triaconta-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene http://purl.obolibrary.org/obo/CHEBI_51587 3_STAR CHEBI:51588 biolink:ChemicalSubstance 1,4-diphenylbutadiyne CAS:886-66-8|CAS:886-66-8|PMID:21799968|PMID:26634234|PMID:7012855|PMID:32900188|PMID:18072790|PMID:22068565|PMID:22684250|Beilstein:1910105 chebi.json 1,4-diphenyl-1,3-butadiyne|diphenylbutadiyne|1,1'-buta-1,3-diyne-1,4-diyldibenzene|diphenyl-1,3-butadiyne|(4-phenyl-1,3-butadiynyl)benzene|diphenyldiacetylene http://purl.obolibrary.org/obo/CHEBI_51588 3_STAR CHEBI:145601 biolink:ChemicalSubstance beta-D-Galp-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-Glcp A branched trisaccharide that is beta-D-Galp-(1->3)-beta-D-Glcp in which the hydroxy group at position 4 of the gluocopyranose moiety has been converted to the corresponding beta-D-glucopyranoside. GlyTouCan:G29084XK|GlyGen:G29084XK chebi.json WURCS=2.0/2,3,2/[a2122h-1b_1-5][a2112h-1b_1-5]/1-2-1/a3-b1_a4-c1|(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|beta-D-galactopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranose|Gal(b1-3)[Glc(b1-4)]b-Glc http://purl.obolibrary.org/obo/CHEBI_145601 3_STAR CHEBI:145602 biolink:ChemicalSubstance beta-D-Glcp-(1->2)-[beta-D-Glcp-(1->4)]-beta-D-Glcp A glucotriose that is beta-D-glucose in which the hydroxy groups at positions 2 and 4 have each been converted to the corresponding beta-D-glucoside. GlyTouCan:G30567WW|GlyGen:G30567WW chebi.json WURCS=2.0/1,3,2/[a2122h-1b_1-5]/1-1-1/a2-b1_a4-c1|beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->4)]-beta-D-glucopyranose|(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol|Glc(b1-2)[Glc(b1-4)]b-Glc http://purl.obolibrary.org/obo/CHEBI_145602 3_STAR CHEBI:51589 biolink:ChemicalSubstance subphthalocyanines Compounds containing a subphthalocyanine skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51589 3_STAR CHEBI:145603 biolink:ChemicalSubstance beta-D-Galp-(1->3)-beta-D-Glcp A beta-D-Galp-(1->3)-D-Glcp in which the carbon bearing the anomeric hydroxy group has beta configuration. GlyGen:G31761VE|GlyTouCan:G31761VE|KEGG:G12482 chebi.json Gal(b1-3)b-Glc|(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,5-triol|3-O-beta-D-galactopyranosyl-beta-D-glucopyranose|WURCS=2.0/2,2,1/[a2122h-1b_1-5][a2112h-1b_1-5]/1-2/a3-b1 http://purl.obolibrary.org/obo/CHEBI_145603 3_STAR CHEBI:9768 biolink:ChemicalSubstance Tryptanthrine KEGG:C10742|KNApSAcK:C00002200|CAS:13220-57-0 chebi.json Tryptanthrine http://purl.obolibrary.org/obo/CHEBI_9768 2_STAR CHEBI:9769 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9769 CHEBI:145604 biolink:ChemicalSubstance beta-D-Galp-(1->3)-alpha-D-GalpNAc-(1->3)-alpha-D-GalpNAc A beta-D-Galp-(1->3)-D-GalpNAc-(1->3)-D-GalpNAc in which both of the N-acetylgalactose units have alpha configuration at position 1. GlyTouCan:G32397EL|GlyGen:G32397EL chebi.json N-[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranose|Gal(b1-3)GalNAc(a1-3)a-GalNAc|WURCS=2.0/2,3,2/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-1-2/a3-b1_b3-c1 http://purl.obolibrary.org/obo/CHEBI_145604 3_STAR CHEBI:51583 biolink:ChemicalSubstance 1,4-diphenylbutadiene CAS:886-65-7|CAS:886-65-7 chebi.json Bistyryl|1,4-Diphenylerythrene|1,1'-buta-1,3-diene-1,4-diyldibenzene|1,4-Diphenyl-1,3-butadiene http://purl.obolibrary.org/obo/CHEBI_51583 3_STAR CHEBI:9764 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9764 CHEBI:145605 biolink:ChemicalSubstance methyl beta-D-glucopyranuronate A methyl D-glucopyranuronate in which the carbon bearing the anomeric hydroxy group has beta configuration. Patent:US5510243|MetaCyc:CPD-3611|PMID:10747220|GlyTouCan:G32430MQ|PMID:4568840|GlyGen:G32430MQ|PMID:15659677 chebi.json beta-D-glucopyranuronic acid methyl ester|beta-D-glucuronic acid methyl ester|1-O-methyl-beta-D-glucuronic acid|methyl beta-D-glucopyranuronate|methyl-beta-D-glucopyranosiduronic acid|WURCS=2.0/1,1,0/[a2122A-1b_1-5_6*OC]/1/|methyl (2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylate|beta-D-GlcpA6Me|methyl-beta-D-glucuronide http://purl.obolibrary.org/obo/CHEBI_145605 3_STAR CHEBI:9765 biolink:ChemicalSubstance Trypsin KEGG:C00298|KEGG:D00056|CAS:9002-07-7 chebi.json Trypsin|Trypsin crystallized http://purl.obolibrary.org/obo/CHEBI_9765 2_STAR CHEBI:51584 biolink:ChemicalSubstance metallophthalocyanines chebi.json http://purl.obolibrary.org/obo/CHEBI_51584 3_STAR CHEBI:145606 biolink:ChemicalSubstance beta-D-glucofuranose A D-glucofuranose that has beta- configuration at the anomeric centre. GlyTouCan:G38419CD|GlyGen:G38419CD chebi.json WURCS=2.0/1,1,0/[a2122h-1b_1-4]/1/|b-Glcf|(2R,3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]tetrahydrofuran-2,3,4-triol http://purl.obolibrary.org/obo/CHEBI_145606 3_STAR CHEBI:51585 biolink:ChemicalSubstance metallophthalocyanine chebi.json Metall-Phthalocyanin http://purl.obolibrary.org/obo/CHEBI_51585 3_STAR CHEBI:145607 biolink:ChemicalSubstance alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)]-a-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc A polysaccharide consisting of alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc in which the hydroxy group at position 6 of the beta-D-Manp group is substituted by an alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-]-alpha-D-Manp group. GlyTouCan:G39578OU|GlyGen:G39578OU|KEGG:G00007 chebi.json Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)a-GlcNAc|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-glucopyranose|WURCS=2.0/4,11,10/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4-4-4-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1_g3-h1_g6-j1_h2-i1_j2-k1 http://purl.obolibrary.org/obo/CHEBI_145607 3_STAR CHEBI:51586 biolink:ChemicalSubstance benzoins An aromatic ketone containing a benzoin (2-hydroxy-1,2-diphenylethanone) skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51586 3_STAR CHEBI:9767 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9767 CHEBI:145608 biolink:ChemicalSubstance alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp An alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-D-Manp in which the carbon bearing the anomeric hydroxy group has beta- configuration. GlyGen:G39767HX|GlyTouCan:G39767HX chebi.json alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-beta-D-mannopyranose|WURCS=2.0/2,4,3/[a1122h-1b_1-5][a1122h-1a_1-5]/1-2-2-2/a3-b1_b2-c1_c2-d1|(2R,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol|Man(a1-2)Man(a1-2)Man(a1-3)b-Man http://purl.obolibrary.org/obo/CHEBI_145608 3_STAR CHEBI:9760 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9760 CHEBI:145609 biolink:ChemicalSubstance beta-D-Xylp-(1->2)-alpha-L-Arap-(1->6)-beta-D-Glcp A trisaccharide consisting of beta-D-xylopyranose, alpha-L-arabinopyranose and beta-D-glucopyranose joined together in sequence by (1->2) and (1->6)-glycosidic bonds, respectively. GlyGen:G39851TR|GlyTouCan:G39851TR chebi.json WURCS=2.0/3,3,2/[a2122h-1b_1-5][a211h-1a_1-5][a212h-1b_1-5]/1-2-3/a6-b1_b2-c1|Xyl(b1-2)Ara(a1-6)b-Glc|(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-4,5-Dihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol|beta-D-xylopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_145609 3_STAR CHEBI:51580 biolink:ChemicalSubstance phthalocyanines Compounds containing a phthalocyanine skeleton. chebi.json Phthalocyanine|Phthalozyanine|ftalocianinas http://purl.obolibrary.org/obo/CHEBI_51580 3_STAR CHEBI:51581 biolink:ChemicalSubstance benzimidazole-4,7-quinone Beilstein:4484|CAS:7711-39-9 chebi.json 4,7-benzimidazolequinone|4,7-Benzimidazoledione|1H-benzimidazole-4,7-dione http://purl.obolibrary.org/obo/CHEBI_51581 3_STAR CHEBI:51582 biolink:ChemicalSubstance 5,6-bis[(2-hydroxyethyl)sulfanyl]benzimidazole-4,7-quinone CAS:26558-07-6|Beilstein:672754 chebi.json 5,6-bis[(2-hydroxyethyl)sulfanyl]-1H-benzimidazole-4,7-dione|5,6-bis[(2-hydroxyethyl)thio]benzimidazole-4,7-quinone http://purl.obolibrary.org/obo/CHEBI_51582 3_STAR CHEBI:9763 biolink:ChemicalSubstance trovafloxacin A 1,8-naphthyridine derivative that is 4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid bearing additional 2,4-difluorophenyl, fluoro and 6-amino-3-azabicyclo[3.1.0]hex-3-yl substituents at positions 1, 6 and 7 respectively. A broad-spectrum antibiotic that was withdrawn from the market due to risk of liver failure. PMID:21151465|PMID:23727874|PMID:20538741|Reaxys:8172628|DrugBank:DB00685|Wikipedia:Trovafloxacin|PMID:20462743|KEGG:C07664|PMID:20022474|PMID:20655887|KEGG:D08654|CAS:147059-72-1|PMID:24525298|Drug_Central:2777|HMDB:HMDB0014823|PMID:22305082|PMID:24097668|CAS:147059-72-1 chebi.json trovafloxacine|trovafloxacinum|trovafloxacin|trovafloxacino|7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_9763 3_STAR CHEBI:9780 biolink:ChemicalSubstance Turgorin CAS:80220-30-0|KNApSAcK:C00002679|KEGG:C10837 chebi.json Turgorin http://purl.obolibrary.org/obo/CHEBI_9780 2_STAR CHEBI:9781 biolink:ChemicalSubstance Turricolol E KNApSAcK:C00002680|KEGG:C10838|CAS:101392-12-5 chebi.json Turricolol E http://purl.obolibrary.org/obo/CHEBI_9781 2_STAR CHEBI:51576 biolink:ChemicalSubstance 4-bromopyridine Beilstein:1563|CAS:1120-87-2|CAS:1120-87-2 chebi.json 4-pyridyl bromide http://purl.obolibrary.org/obo/CHEBI_51576 3_STAR CHEBI:51577 biolink:ChemicalSubstance partial prostacyclin agonist A compound which binds and activates the prostacyclin receptor IP1, but has only partial efficacy at the receptor relative to a full agonist. chebi.json http://purl.obolibrary.org/obo/CHEBI_51577 3_STAR CHEBI:51578 biolink:ChemicalSubstance benzimidazolequinone Compounds containing an imidazole ring fused to a benzoquinone. chebi.json benzimidazolequinones http://purl.obolibrary.org/obo/CHEBI_51578 3_STAR CHEBI:51579 biolink:ChemicalSubstance biphenylacetylene An arylacetylene that is acetylene in which the hydrogens are replaced by phenyl groups. CAS:501-65-5|PMID:23046054|Beilstein:606478|Reaxys:606478|PMID:24150873|Chemspider:9961|Wikipedia:Diphenylacetylene|CAS:501-65-5 chebi.json Tolane|Tolan|Diphenylethyne|1,2-Diphenylacetylene|1,1'-ethyne-1,2-diyldibenzene|diphenylacetylene http://purl.obolibrary.org/obo/CHEBI_51579 3_STAR CHEBI:9779 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9779 CHEBI:9775 biolink:ChemicalSubstance tubulosine A member of the class of beta-carbolines that is tubulosan bearing methoxy groups at positions 10 and 11 and a hydroxy group at the 8' position. PMID:1982768|KNApSAcK:C00001778|PMID:1895202|CAS:2632-29-3|CAS:2632-29-3|PMID:15195303|PMID:776609|KEGG:C09248|Beilstein:772464|Reaxys:772464|PMID:9834903 chebi.json 10,11-dimethoxytubulosan-8'-ol|Tubulosine http://purl.obolibrary.org/obo/CHEBI_9775 3_STAR CHEBI:51572 biolink:ChemicalSubstance bromopyridine Compounds containing a pyridine nucleus substituted with one or more bromine atoms. chebi.json bromopyridines http://purl.obolibrary.org/obo/CHEBI_51572 3_STAR CHEBI:9776 biolink:ChemicalSubstance tulipinolide A germacranolide based on a 2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl skeleton. Beilstein:1626295|KNApSAcK:C00003378|CAS:24164-12-3|KEGG:C09564|PMID:5810209|Reaxys:1626295|PMID:5446985|PMID:6476889 chebi.json (3aR,4S,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl acetate|epitulipinolide|Tulipinolide|8alpha-acetoxycostunolide http://purl.obolibrary.org/obo/CHEBI_9776 3_STAR CHEBI:51573 biolink:ChemicalSubstance monobromopyridine chebi.json http://purl.obolibrary.org/obo/CHEBI_51573 3_STAR CHEBI:9777 biolink:ChemicalSubstance Tuliposide A CAS:19870-30-5|KNApSAcK:C00001327|KEGG:C08561 chebi.json Tuliposide A http://purl.obolibrary.org/obo/CHEBI_9777 2_STAR CHEBI:51574 biolink:ChemicalSubstance 2-bromopyridine Beilstein:105789|CAS:109-04-6 chebi.json 2-Pyridyl bromide|alpha-bromopyridine|o-bromopyridine|2-bromopyridine http://purl.obolibrary.org/obo/CHEBI_51574 3_STAR CHEBI:51575 biolink:ChemicalSubstance 3-bromopyridine A monobromopyridine in which the bromo substituent is located at position 3. CAS:626-55-1|Beilstein:105880|Reaxys:105880 chebi.json 3-bromopyridine|3-pyridyl bromide http://purl.obolibrary.org/obo/CHEBI_51575 3_STAR CHEBI:9778 biolink:ChemicalSubstance Tuliposide B KNApSAcK:C00001328|CAS:19870-33-8|KEGG:C08570 chebi.json Tuliposide B http://purl.obolibrary.org/obo/CHEBI_9778 2_STAR CHEBI:9771 biolink:ChemicalSubstance Tubeimoside I CAS:102040-03-9|KNApSAcK:C00003557|KEGG:C08987 chebi.json Tubeimoside I http://purl.obolibrary.org/obo/CHEBI_9771 2_STAR CHEBI:9772 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9772 CHEBI:51570 biolink:ChemicalSubstance biotins Compounds containing a biotin (5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid) skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51570 3_STAR CHEBI:9774 biolink:ChemicalSubstance tubocurarine A benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare. LINCS:LSM-4245|Wikipedia:Tubocurarine_chloride|Drug_Central:2781|CAS:57-95-4|DrugBank:DB01199|Reaxys:3898737|PMID:8166227|PMID:6196640|KNApSAcK:C00001927|PMID:7911306|PMID:2215478|PDBeChem:TC9|KEGG:C07547|Beilstein:3898737 chebi.json Tubocurarin|d-tubocurarine|7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraran-2'-ium|Tubocurarine|7',12'-dihydroxy-6,6'-dimethoxy-2,2',2'-trimethyltubocuraranium|(+)-tubocurarine http://purl.obolibrary.org/obo/CHEBI_9774 3_STAR CHEBI:51571 biolink:ChemicalSubstance diphenylethane Compounds containing two phenyl groups connected by an ethyl linker. chebi.json diphenylethanes http://purl.obolibrary.org/obo/CHEBI_51571 3_STAR CHEBI:51569 biolink:ChemicalSubstance N-acyl-amino acid A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid. chebi.json N-acylamino acid|acyl-amino-acids|N-acyl-amino-acids|N-acyl amino acid|acyl-amino-acid|acylamino acids|N-acyl amino acids|N-acyl-amino-acid|N-acylamino acids http://purl.obolibrary.org/obo/CHEBI_51569 3_STAR CHEBI:51565 biolink:ChemicalSubstance sodium tetrachloroaurate CAS:15189-51-2|Gmelin:41458 chebi.json tetrachloroauric(3+) acid, sodium salt|Na[AuCl4]|tetrachloroaurate(1-) sodium|gold sodium chloride|sodium chloroaurate|sodium gold(III) chloride|sodium tetrachloridoaurate(III)|hydrochloroauric acid, sodium salt|sodium tetrachloridoaurate(1-)|sodium tetrachloroaurate(1-)|sodium tetrachloridoaurate|sodium tetrachloroaurate(III)|natrium tetrachloroauratum|sodium gold chloride|gold chloride sodium http://purl.obolibrary.org/obo/CHEBI_51565 3_STAR CHEBI:51566 biolink:ChemicalSubstance rubidium tetrachloroaurate Gmelin:133247|CAS:13682-62-7 chebi.json rubidium tetrachloridoaurate(1-)|rubidium tetrachloridoaurate|rubidium tetrachloridoaurate(III)|Rb[AuCl4]|rubidium tetrachloroaurate(III)|rubidium tetrachloroaurate(1-) http://purl.obolibrary.org/obo/CHEBI_51566 3_STAR CHEBI:51567 biolink:ChemicalSubstance potassium triiodomercurate Gmelin:107673|CAS:22330-18-3 chebi.json potassium triiodomercurate(II)|potassium triiodidomercurate(1-)|potassium triiodidomercurate(II)|potassium triiodidomercurate|K[HgI3]|potassium triiodomercurate(1-) http://purl.obolibrary.org/obo/CHEBI_51567 3_STAR CHEBI:51568 biolink:ChemicalSubstance dipotassium tetraiodomercurate Gmelin:37029|CAS:7783-33-7 chebi.json potassium tetraiodomercurate|potassium tetraiodidomercurate(2-)|Kaliumtetraiodomercurat(II)|Nesslers Reagenz|mercury(II) potassium iodide|potassium mercuric iodide|K2[HgI4]|Nessler's reagent|mercuric potassium iodide|potassium tetraiodomercurate(II)|potassium iodomercurate|potassium tetraiodidomercurate(II)|potassium tetraiodidomercurate|Channing's solution|mercury potassium iodide|dipotassium tetraiodomercurate(2-)|reactivo de Nessler http://purl.obolibrary.org/obo/CHEBI_51568 3_STAR CHEBI:106020 biolink:ChemicalSubstance 3-ethyl-2-[2-(2-methyl-1H-indol-3-yl)ethenyl]-4-quinazolinone LINCS:LSM-17381 chebi.json http://purl.obolibrary.org/obo/CHEBI_106020 2_STAR CHEBI:106010 biolink:ChemicalSubstance N-(2-methyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1,4-benzodioxin-6-sulfonamide LINCS:LSM-17371 chebi.json http://purl.obolibrary.org/obo/CHEBI_106010 2_STAR CHEBI:106011 biolink:ChemicalSubstance N-(1-propyl-3-pyrazolo[3,4-b]quinolinyl)butanamide LINCS:LSM-17372 chebi.json http://purl.obolibrary.org/obo/CHEBI_106011 2_STAR CHEBI:106012 biolink:ChemicalSubstance 2-[3-(2-oxo-1-pyrrolidinyl)propyliminomethyl]indene-1,3-dione LINCS:LSM-17373 chebi.json http://purl.obolibrary.org/obo/CHEBI_106012 2_STAR CHEBI:106013 biolink:ChemicalSubstance 4-[3-[oxo(1-pyrrolidinyl)methyl]-2H-isoxazol-5-ylidene]-1-cyclohexa-2,5-dienone LINCS:LSM-17374 chebi.json http://purl.obolibrary.org/obo/CHEBI_106013 2_STAR CHEBI:9746 biolink:ChemicalSubstance tripteroside A xanthone glycoside that is norathyriol attached to a beta-D-glucopyranosyl residue at position 6 via a glycosidic linkage. KNApSAcK:C00002977|KEGG:C10095|Reaxys:6544073|CAS:82855-00-3 chebi.json 2,6,8-trihydroxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranoside|Norathyriol-6-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_9746 3_STAR CHEBI:106014 biolink:ChemicalSubstance 2-hydroxy-N'-[[2,4,6-trioxo-1-(2-phenylethyl)-1,3-diazinan-5-ylidene]methyl]benzohydrazide LINCS:LSM-17375 chebi.json http://purl.obolibrary.org/obo/CHEBI_106014 2_STAR CHEBI:106015 biolink:ChemicalSubstance 2-[(2-cyclopropyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]-N-(2-furanylmethyl)acetamide LINCS:LSM-17376 chebi.json http://purl.obolibrary.org/obo/CHEBI_106015 2_STAR CHEBI:9747 biolink:ChemicalSubstance Triptolide KNApSAcK:C00003494|KEGG:C09204|LINCS:LSM-5518|Wikipedia:Triptolide|CAS:38748-32-2 chebi.json Triptolide http://purl.obolibrary.org/obo/CHEBI_9747 2_STAR CHEBI:106016 biolink:ChemicalSubstance 2-[[[[(1-ethyl-4-pyrazolyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid methyl ester LINCS:LSM-17377 chebi.json http://purl.obolibrary.org/obo/CHEBI_106016 2_STAR CHEBI:9748 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9748 CHEBI:106017 biolink:ChemicalSubstance 4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-N-(2-oxolanylmethyl)-2-thiazolamine LINCS:LSM-17378 chebi.json http://purl.obolibrary.org/obo/CHEBI_106017 2_STAR CHEBI:9749 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9749 CHEBI:51561 biolink:ChemicalSubstance rubidium tetrabromoaurate CAS:13464-73-8|Gmelin:168500 chebi.json Rb[AuBr4]|rubidium tetrabromoaurate(III)|rubidium tetrabromidoaurate(III)|rubidium tetrabromidoaurate(1-) http://purl.obolibrary.org/obo/CHEBI_51561 3_STAR CHEBI:106018 biolink:ChemicalSubstance N-[(1,2-dimethyl-5-indolyl)methyl]-2-(4-nitrophenyl)acetamide LINCS:LSM-17379 chebi.json http://purl.obolibrary.org/obo/CHEBI_106018 2_STAR CHEBI:9742 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9742 CHEBI:106019 biolink:ChemicalSubstance 3-(4-methylphenyl)-6-phenyl-1,4-dihydro-1,3,5-triazine-2-thione LINCS:LSM-17380 chebi.json http://purl.obolibrary.org/obo/CHEBI_106019 2_STAR CHEBI:51562 biolink:ChemicalSubstance bisoxazole Any ring assembly that is a compound with a structure based on two oxazole rings connected by a single bond. chebi.json bis-oxazoles|bioxazole|bioxazolyls|bioxazolyl|bioxazoles|bis-oxazole|bisoxazole http://purl.obolibrary.org/obo/CHEBI_51562 3_STAR CHEBI:51563 biolink:ChemicalSubstance caesium tetrachloroaurate Gmelin:86136|CAS:13682-60-5 chebi.json cesium tetrachloroaurate(III)|Cs[AuCl4]|caesium tetrachloroaurate(III)|caesium tetrachloroaurate(1-)|caesium tetrachloridoaurate(III)|caesium tetrachloridoaurate(1-)|caesium tetrachloridoaurate|cesium tetrachloroaurate http://purl.obolibrary.org/obo/CHEBI_51563 3_STAR CHEBI:9744 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9744 CHEBI:51564 biolink:ChemicalSubstance potassium tetrachloroaurate Gmelin:17551|CAS:13682-61-6 chebi.json K[AuCl4]|potassium tetrachloroaurate(1-)|potassium tetrachloridoaurate(III)|potassium tetrachloroaurate(III)|potassium tetrachloridoaurate(1-)|potassium tetrachloridoaurate http://purl.obolibrary.org/obo/CHEBI_51564 3_STAR CHEBI:9740 biolink:ChemicalSubstance Tripdiolide KEGG:C09202|CAS:38647-10-8|KNApSAcK:C00003493 chebi.json Tripdiolide http://purl.obolibrary.org/obo/CHEBI_9740 2_STAR CHEBI:9741 biolink:ChemicalSubstance Tripelennamine CAS:91-81-6|HMDB:HMDB0014930|LINCS:LSM-3271|KEGG:D08645|Drug_Central:2762|KEGG:C07180 chebi.json tripelenamine|tripelennamine HCl|tripelennamin|tripelennamine citrate|pyribenzamine|Tripelennamine|pyribenzamin|tripelennamine hydrochloride|pyrinamine base http://purl.obolibrary.org/obo/CHEBI_9741 2_STAR CHEBI:51560 biolink:ChemicalSubstance 3-phenyl-2,1-benzoxazole-5-sulfonamide Beilstein:1081824|CAS:33215-54-2 chebi.json 3-phenyl-2,1-benzisoxazole-5-sulfonamide|3-phenyl-2,1-benzoxazole-5-sulfonamide http://purl.obolibrary.org/obo/CHEBI_51560 3_STAR CHEBI:51558 biolink:ChemicalSubstance sodium tetrabromoaurate CAS:52495-41-7|Gmelin:168091 chebi.json sodium tetrabromoaurate(1-)|sodium gold bromide|sodium tetrabromoaurate(III)|sodium tetrabromidoaurate(III)|sodium tetrabromidoaurate(1-)|Na[AuBr4] http://purl.obolibrary.org/obo/CHEBI_51558 3_STAR CHEBI:51559 biolink:ChemicalSubstance caesium tetrabromoaurate Gmelin:167573|CAS:13682-59-2 chebi.json cesium tetrabromoaurate(III)|cesium tetrabromoaurate|caesium tetrabromoaurate(1-)|caesium tetrabromoaurate(III)|caesium tetrabromidoaurate(1-)|Cs[AuBr4]|caesium tetrabromidoaurate(III)|caesium tetrabromidoaurate http://purl.obolibrary.org/obo/CHEBI_51559 3_STAR CHEBI:51554 biolink:ChemicalSubstance 1,2-benzoxazole A benzoxazole in which the benzene ring is fused to a 1,2-oxazole ring across positions 4 and 5. Wikipedia:Benzisoxazole|Beilstein:2154|Reaxys:2154|CAS:271-95-4|CAS:271-95-4 chebi.json benzisoxazole|Indoxazene|1,2-benzoxazole|1-Oxa-2-aza-1H-indene|4,5-Benzisoxazole|benz(d)isoxazole http://purl.obolibrary.org/obo/CHEBI_51554 3_STAR CHEBI:51555 biolink:ChemicalSubstance 2,1-benzoxazole A benzoxazole in which the benzene ring is fused to a 1,2-oxazole ring across positions 3 and 4. CAS:271-58-9|CAS:271-58-9|Beilstein:2222|Reaxys:2222 chebi.json Anthranil|2,1-benzoxazole|Benz(c)isoxazole|2,1-Benzisoxazole http://purl.obolibrary.org/obo/CHEBI_51555 3_STAR CHEBI:51556 biolink:ChemicalSubstance dicaesium tetrabromochromate Gmelin:1010388 chebi.json caesium tetrabromidochromate(II)|caesium tetrabromochromate(2-)|caesium tetrabromidochromate(2-)|dicaesium tetrabromidochromate|caesium tetrabromochromate(II)|Cs2[CrBr4] http://purl.obolibrary.org/obo/CHEBI_51556 3_STAR CHEBI:51557 biolink:ChemicalSubstance potassium tetrabromoaurate CAS:14323-32-1|Gmelin:94574 chebi.json potassium tetrabromoaurate(III)|potassium tetrabromoaurate(1-)|K[AuBr4]|potassium tetrabromidoaurate(1-)|potassium tetrabromidoaurate(III) http://purl.obolibrary.org/obo/CHEBI_51557 3_STAR CHEBI:106000 biolink:ChemicalSubstance 1-[4-(2-fluorophenyl)-2-thiazolyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester LINCS:LSM-17361 chebi.json http://purl.obolibrary.org/obo/CHEBI_106000 2_STAR CHEBI:106001 biolink:ChemicalSubstance 3-acetamido-N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-[(4-methylphenyl)thio]benzamide LINCS:LSM-17362 chebi.json http://purl.obolibrary.org/obo/CHEBI_106001 2_STAR CHEBI:106002 biolink:ChemicalSubstance N-[(2-chloroanilino)-sulfanylidenemethyl]-2-furancarboxamide LINCS:LSM-17363 chebi.json http://purl.obolibrary.org/obo/CHEBI_106002 2_STAR CHEBI:9757 biolink:ChemicalSubstance Tropicamide Drug_Central:2774|HMDB:HMDB0014947|KEGG:D00397|CAS:1508-75-4|CAS:1508-75-4|LINCS:LSM-1814 chebi.json Tropicamide|Mydriacyl (TN)|mydriacyl|epitromina|bistropamide http://purl.obolibrary.org/obo/CHEBI_9757 2_STAR CHEBI:106003 biolink:ChemicalSubstance 2-(3-methylphenoxy)-N-[4-(4-methylsulfonyl-1-piperazinyl)phenyl]acetamide LINCS:LSM-17364 chebi.json http://purl.obolibrary.org/obo/CHEBI_106003 2_STAR CHEBI:106004 biolink:ChemicalSubstance 3,7-dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]quinoline LINCS:LSM-17365 chebi.json http://purl.obolibrary.org/obo/CHEBI_106004 2_STAR CHEBI:9758 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9758 CHEBI:106005 biolink:ChemicalSubstance N-(4-fluoro-3-nitrophenyl)-3-methyl-2-thiophenecarboxamide LINCS:LSM-17366 chebi.json http://purl.obolibrary.org/obo/CHEBI_106005 2_STAR CHEBI:106006 biolink:ChemicalSubstance 4-amino-N-(2-methoxyphenyl)benzamide LINCS:LSM-17367 chebi.json http://purl.obolibrary.org/obo/CHEBI_106006 2_STAR CHEBI:51550 biolink:ChemicalSubstance tetraiodo(oxo)molybdate(1-) Gmelin:2313103 chebi.json tetraiodooxomolybdate(1-)|tetraiodidooxidomolybdate(V)|tetraiodidooxidomolybdate(1-)|[MoI4O](-) http://purl.obolibrary.org/obo/CHEBI_51550 3_STAR CHEBI:106007 biolink:ChemicalSubstance N-(2-methoxyphenyl)-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]propanamide LINCS:LSM-17368 chebi.json http://purl.obolibrary.org/obo/CHEBI_106007 2_STAR CHEBI:9753 biolink:ChemicalSubstance troglitazone LINCS:LSM-4890|CAS:97322-87-7|Wikipedia:Troglitazone|Patent:US4572912|KEGG:D00395|Drug_Central:2767|DrugBank:DB00197|CAS:97322-87-7|Beilstein:4338399 chebi.json 5-(4-(6-Hydroxy-2,5,7,8-tetramethylchroman-2-ylmethoxy)benzyl)thiazolidine-2,4-dione|troglitazone|troglitazona|Troglitazone|(+-)-all-rac-5-(p-((6-Hydroxy-2,5,7,8-tetramethyl-2-chromanyl)methoxy)benzyl)-2,4-thiazolidinedione|troglitazonum|5-{4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)methoxy]benzyl}-1,3-thiazolidine-2,4-dione|Rezulin (TN)|Romglizone http://purl.obolibrary.org/obo/CHEBI_9753 3_STAR CHEBI:106008 biolink:ChemicalSubstance [2-(methylthio)phenyl]-[1-[oxo(4-thiadiazolyl)methyl]-3-piperidinyl]methanone LINCS:LSM-17369 chebi.json http://purl.obolibrary.org/obo/CHEBI_106008 2_STAR CHEBI:9754 biolink:ChemicalSubstance tris A primary amino compound that is tert-butylamine in which one hydrogen attached to each methyl group is replaced by a hydroxy group. A compound widely used as a biological buffer substance in the pH range 7--9; pKa = 8.3 at 20 degreeC; pKa = 7.82 at 37 degreeC. KEGG:C07182|PDBeChem:TRS|PMID:22553829|DrugBank:DB03754|Wikipedia:Tris|CAS:77-86-1|Gmelin:217857|Beilstein:741883|Reaxys:741883|Drug_Central:2771|CAS:77-86-1|CAS:77-86-1|KEGG:D00396 chebi.json Tris buffer|Trizma|Tris base|tris(hydroxymethyl)aminomethane|2-amino-2-(hydroxymethyl)propane-1,3-diol|Trometamol|1,1,1-tris(hydroxymethyl)methanamine|Tris-base|aminotris(hydroxymethyl)methane|Tris|Tromethamine|Tris amino|2-Amino-2-(hydroxymethyl)-1,3-propanediol|THAM http://purl.obolibrary.org/obo/CHEBI_9754 3_STAR CHEBI:51551 biolink:ChemicalSubstance bromooxometallate anion An anionic coordination entity where bromido and oxido ligands are coordinated to a metal centre. chebi.json bromooxometallate anions|bromidooxidometallate anion http://purl.obolibrary.org/obo/CHEBI_51551 3_STAR CHEBI:51552 biolink:ChemicalSubstance pentabromo(oxo)molybdate(2-) Gmelin:305846 chebi.json pentabromidooxidomolybdate(V)|pentabromidooxidomolybdate(2-)|[MoBr5O](2-)|pentabromooxomolybdate(2-) http://purl.obolibrary.org/obo/CHEBI_51552 3_STAR CHEBI:9755 biolink:ChemicalSubstance Tropacocaine KNApSAcK:C00002305|KEGG:C10848|CAS:537-26-8 chebi.json Tropacocaine http://purl.obolibrary.org/obo/CHEBI_9755 2_STAR CHEBI:106009 biolink:ChemicalSubstance 3-methyl-6-thiophen-2-yl-4-isoxazolo[5,4-b]pyridinecarboxylic acid ethyl ester LINCS:LSM-17370 chebi.json http://purl.obolibrary.org/obo/CHEBI_106009 2_STAR CHEBI:51553 biolink:ChemicalSubstance tetrabromo(dioxo)molybdate(2-) Gmelin:326077 chebi.json [MoBr4O2](2-)|tetrabromodioxomolybdate(2-)|tetrabromidodioxidomolybdate(VI)|tetrabromidodioxidomolybdate(2-) http://purl.obolibrary.org/obo/CHEBI_51553 3_STAR CHEBI:9756 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9756 CHEBI:9750 biolink:ChemicalSubstance Triton X-100 A poly(ethylene glycol) derivative that is poly(ethylene glycol) in which one of the terminal hydroxy groups has been converted into the corresponding p-(2,4,4-trimethylpentan-3-yl)phenyl ether. Beilstein:10243793|CAS:9002-93-1|Beilstein:8299849|CAS:9002-93-1|KEGG:D05229 chebi.json Polyethylene glycol mono(p-(1,1,3,3-tetramethylbutyl)phenyl) ether|Polyoxyethylene 4-(1,1,3,3-tetramethylbutyl)phenyl ether|4-(1,1,3,3-Tetramethylbutyl)phenyl hydroxypoly(oxyethylene)|Octoxynol 9|Polyethylene glycol mono(p-tert-octylphenyl) ether|octoxinolum|Polyoxyethylene mono(octylphenyl) ether|4-tert-Octylphenyl peg ether|Poly(oxyethylene)-p-tert-octylphenyl ether|octoxinol|Peg 4-isooctylphenyl ether|Peg (p-(1,1,3,3-tetramethylbutyl)phenyl) ether|Peg 4-tert-octylphenyl ether http://purl.obolibrary.org/obo/CHEBI_9750 3_STAR CHEBI:9751 biolink:ChemicalSubstance tritriacontane A long-chain alkane consisting of an unbranched chain of 33 carbon atoms. CAS:630-05-7|CAS:630-05-7|KNApSAcK:C00001270|Beilstein:1786920|KEGG:C08393|CAS:630-05-7 chebi.json n-tritriacontane|CH3-[CH2]31-CH3|Tritriacontane http://purl.obolibrary.org/obo/CHEBI_9751 3_STAR CHEBI:9752 biolink:ChemicalSubstance tritriacontane-16,18-dione A beta-diketone that is tritriacontane with oxo groups at positions 16 and 18. KEGG:C08394|Reaxys:1890841|CAS:24514-86-1|Beilstein:1890841|CAS:24514-86-1|KNApSAcK:C00001271 chebi.json tritriacontane-16,18-dione|Tritriacontane-16,18-dione|N-Tritriacontane-16,18-dione http://purl.obolibrary.org/obo/CHEBI_9752 3_STAR CHEBI:51547 biolink:ChemicalSubstance iodo(trioxo)chromate(1-) Gmelin:324179 chebi.json iodidotrioxidochromate(VI)|[CrIO3](-)|iodidotrioxidochromate(1-) http://purl.obolibrary.org/obo/CHEBI_51547 3_STAR CHEBI:51548 biolink:ChemicalSubstance 1,3-benzoxazoles Compounds based on a fused 1,3-oxazole and benzene bicyclic ring skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51548 3_STAR CHEBI:51549 biolink:ChemicalSubstance benzisoxazole Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton. chebi.json benzisoxazoles http://purl.obolibrary.org/obo/CHEBI_51549 3_STAR CHEBI:51543 biolink:ChemicalSubstance iodooxometallate anion An anionic coordination entity where iodido and oxido ligands are coordinated to a metal centre. chebi.json iodooxometallate anions|iodidooxidometallate anion http://purl.obolibrary.org/obo/CHEBI_51543 3_STAR CHEBI:26587 biolink:ChemicalSubstance rutinoside chebi.json rutinosides|rutinoside http://purl.obolibrary.org/obo/CHEBI_26587 3_STAR CHEBI:51544 biolink:ChemicalSubstance BMY 45778 LINCS:LSM-3901|CAS:152575-66-1|Beilstein:6671146 chebi.json Bmy-45778|Bmy 45778|[3-(4,5-diphenyl-2,4'-bi-1,3-oxazol-5'-yl)phenoxy]acetic acid http://purl.obolibrary.org/obo/CHEBI_51544 3_STAR CHEBI:420128 biolink:ChemicalSubstance 5-chlorosalicylic acid A monohydroxybenzoic acid that is 2-hydroxybenzoic acid (salicylic acid) in which the hydrogen at position 5 is replaced by chlorine. PMID:1650428|CAS:321-14-2|PMID:28166217|CAS:321-14-2|PMID:20062845|PMID:22365879|AGR:IND43635496|PMID:18819808|PMID:1944396|Gmelin:561203|Beilstein:2046665|PMID:22476141|Patent:CN101684061|Reaxys:2046665|PMID:21689976 chebi.json 5 CSA|2-Hydroxy-5-chlorobenzoic acid|5-Chloro-2-hydroxybenzoic acid|5-chloro-2-hydroxybenzoic acid http://purl.obolibrary.org/obo/CHEBI_420128 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. chebi.json s-triazines http://purl.obolibrary.org/obo/CHEBI_26588 3_STAR CHEBI:51545 biolink:ChemicalSubstance 1,2-benzoxazoles Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton, with the O atom positioned adjacent to one of the positions of ring fusion. chebi.json http://purl.obolibrary.org/obo/CHEBI_51545 3_STAR CHEBI:26589 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26589 CHEBI:51546 biolink:ChemicalSubstance 2,1-benzoxazoles Compounds based on a fused 1,2-oxazole and benzene bicyclic ring skeleton, with the N atom positioned adjacent to one of the positions of ring fusion. chebi.json http://purl.obolibrary.org/obo/CHEBI_51546 3_STAR CHEBI:26583 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26583 CHEBI:26584 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26584 CHEBI:26585 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26585 CHEBI:26586 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26586 CHEBI:26580 biolink:ChemicalSubstance rifamycins Wikipedia:Rifamycin chebi.json rifamycin http://purl.obolibrary.org/obo/CHEBI_26580 3_STAR CHEBI:26581 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26581 CHEBI:26582 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26582 CHEBI:51540 biolink:ChemicalSubstance chlorooxometallate anion An anionic coordination entity where chlorido and oxido ligands are coordinated to a metal centre. chebi.json chlorooxometallate anions|chloridooxidometallate anion http://purl.obolibrary.org/obo/CHEBI_51540 3_STAR CHEBI:51541 biolink:ChemicalSubstance fluorooxometallate anion An anionic coordination entity where fluorido and oxido ligands are coordinated to a metal centre. chebi.json fluoridooxidometallate anion|fluorooxometallate anions http://purl.obolibrary.org/obo/CHEBI_51541 3_STAR CHEBI:51542 biolink:ChemicalSubstance dicarbonyl(triiodo)ruthenate(1-) MolBase:1885 chebi.json [Ru(CO)2I3](-)|dicarbonyltriiodidoruthenate(1-)|dicarbonyltriiodidoruthenate(II)|[RuI3(CO)2](-) http://purl.obolibrary.org/obo/CHEBI_51542 3_STAR CHEBI:51536 biolink:ChemicalSubstance periodometallate salt A salt where the anion is a periodometallate anion. chebi.json periodometallate salts http://purl.obolibrary.org/obo/CHEBI_51536 3_STAR CHEBI:51537 biolink:ChemicalSubstance bromometallate salt A salt where the anion is an bromometallate anion. chebi.json bromometallate salts|bromidometallate salt http://purl.obolibrary.org/obo/CHEBI_51537 3_STAR CHEBI:51538 biolink:ChemicalSubstance perbromometallate salt A salt where the anion is a perbromometallate anion. chebi.json perbromometallate salts http://purl.obolibrary.org/obo/CHEBI_51538 3_STAR CHEBI:51539 biolink:ChemicalSubstance halooxometallate anion An anionic coordination entity where halido and oxido ligands are coordinated to a metal centre. chebi.json halooxometallate anions http://purl.obolibrary.org/obo/CHEBI_51539 3_STAR CHEBI:51532 biolink:ChemicalSubstance fluorometallate salt A salt where the anion is an fluorometallate anion. chebi.json fluoridometallate salt|fluorometallate salts http://purl.obolibrary.org/obo/CHEBI_51532 3_STAR CHEBI:26598 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26598 CHEBI:51533 biolink:ChemicalSubstance chlorometallate salt A salt where the anion is a chlorometallate anion. chebi.json chlorometallate salts|chloridometallate salt http://purl.obolibrary.org/obo/CHEBI_51533 3_STAR CHEBI:26599 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26599 CHEBI:51534 biolink:ChemicalSubstance perchlorometallate salt A salt where the anion is a perchlorometallate anion. chebi.json perchlorometallate salts http://purl.obolibrary.org/obo/CHEBI_51534 3_STAR CHEBI:51535 biolink:ChemicalSubstance iodometallate salt A salt where the anion is an iodometallate anion. chebi.json iodidometallate salt|iodometallate salts http://purl.obolibrary.org/obo/CHEBI_51535 3_STAR CHEBI:26595 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26595 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 chebi.json http://purl.obolibrary.org/obo/CHEBI_26596 3_STAR CHEBI:26597 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26597 CHEBI:26590 biolink:ChemicalSubstance sabinol chebi.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:26591 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26591 CHEBI:26592 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26592 CHEBI:26593 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26593 CHEBI:51530 biolink:ChemicalSubstance perhalometallate salt A salt where the anion is a perhalometallate anion. chebi.json perhalometallate salts http://purl.obolibrary.org/obo/CHEBI_51530 3_STAR CHEBI:51531 biolink:ChemicalSubstance perfluorometallate salt A salt where the anion is a perfluorometallate anion. chebi.json perfluorometallate salts http://purl.obolibrary.org/obo/CHEBI_51531 3_STAR CHEBI:26569 biolink:ChemicalSubstance 5'-ribothymidylyl group chebi.json ribothymidylyl group|5-methyl-5'-uridylyl http://purl.obolibrary.org/obo/CHEBI_26569 3_STAR CHEBI:51525 biolink:ChemicalSubstance periodometallate anion An anionic coordination entity where all of the ligands coordinated to the metal atom are iodido ligands. chebi.json periodometallate anions http://purl.obolibrary.org/obo/CHEBI_51525 3_STAR CHEBI:9790 biolink:ChemicalSubstance Type H1 glycolipid KEGG:C06131|PMID:60462 chebi.json Fuc-alpha1->2Gal-beta1->3GlcNAc-beta1->3Gal-beta1->4Glc-beta1-1'Cer http://purl.obolibrary.org/obo/CHEBI_9790 2_STAR CHEBI:51526 biolink:ChemicalSubstance iodometallate anion An anionic coordination entity where iodido ligands are coordinated to a metal centre. chebi.json iodometallate anions|iodidometallate anion http://purl.obolibrary.org/obo/CHEBI_51526 3_STAR CHEBI:51527 biolink:ChemicalSubstance fluorometallate anion An anionic coordination entity where fluorido ligands are coordinated to a metal centre. chebi.json fluoridometallate anion|fluorometallate anions http://purl.obolibrary.org/obo/CHEBI_51527 3_STAR CHEBI:9791 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9791 CHEBI:51528 biolink:ChemicalSubstance perfluorometallate anion An anionic coordination entity where all of the ligands coordinated to the metal atom are fluorido ligands. chebi.json perfluorometallate anions http://purl.obolibrary.org/obo/CHEBI_51528 3_STAR CHEBI:9792 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9792 CHEBI:51521 biolink:ChemicalSubstance perchlorometallate anion An anionic coordination entity where all of the ligands coordinated to the metal atom are chlorido ligands. chebi.json perchlorometallate anions http://purl.obolibrary.org/obo/CHEBI_51521 3_STAR CHEBI:26565 biolink:ChemicalSubstance ribosyl group chebi.json ribofuranosyl|ribosyl http://purl.obolibrary.org/obo/CHEBI_26565 3_STAR CHEBI:51522 biolink:ChemicalSubstance N-benzoyl-1-methylpyridin-4(1H)-imine Beilstein:160141 chebi.json N-(1-methylpyridin-4(1H)-ylidene)benzamide http://purl.obolibrary.org/obo/CHEBI_51522 3_STAR CHEBI:26566 biolink:ChemicalSubstance ribosyl groups A glycosyl group obtained by removing the hydroxy group from the hemiacetal function of a ribose and, by extension, of a lower oligosaccharide having ribose at the reducing end. chebi.json http://purl.obolibrary.org/obo/CHEBI_26566 3_STAR CHEBI:51523 biolink:ChemicalSubstance bromometallate anion An anionic coordination entity where bromido ligands are coordinated to a metal centre. chebi.json bromidometallate anion|bromometallate anions http://purl.obolibrary.org/obo/CHEBI_51523 3_STAR CHEBI:26567 biolink:ChemicalSubstance N-ribosyl-N(6)-isopentenyladenine chebi.json http://purl.obolibrary.org/obo/CHEBI_26567 1_STAR CHEBI:51524 biolink:ChemicalSubstance perbromometallate anion An anionic coordination entity where all of the ligands coordinated to the metal atom are bromido ligands. chebi.json perbromometallate anions http://purl.obolibrary.org/obo/CHEBI_51524 3_STAR CHEBI:26568 biolink:ChemicalSubstance ribosylamine chebi.json http://purl.obolibrary.org/obo/CHEBI_26568 1_STAR CHEBI:26561 biolink:ChemicalSubstance ribonucleotide chebi.json ribonucleotides http://purl.obolibrary.org/obo/CHEBI_26561 3_STAR CHEBI:26562 biolink:ChemicalSubstance ribose phosphate chebi.json ribose phosphates|ribose phosphate http://purl.obolibrary.org/obo/CHEBI_26562 3_STAR CHEBI:26563 biolink:ChemicalSubstance ribose triphosphate chebi.json ribose triphosphates|ribose triphosphate http://purl.obolibrary.org/obo/CHEBI_26563 3_STAR CHEBI:26564 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26564 CHEBI:51529 biolink:ChemicalSubstance halometallate salt A salt where the anion is a halometallate anion. chebi.json halometallate salts http://purl.obolibrary.org/obo/CHEBI_51529 3_STAR CHEBI:26560 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26560 CHEBI:9786 biolink:ChemicalSubstance Tylophorine CAS:482-20-2|KEGG:C10623|KNApSAcK:C00002367 chebi.json Tylophorine http://purl.obolibrary.org/obo/CHEBI_9786 2_STAR CHEBI:9787 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9787 CHEBI:9788 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9788 CHEBI:9789 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9789 CHEBI:51520 biolink:ChemicalSubstance chlorometallate anion An anionic coordination entity where chlorido ligands are coordinated to a metal centre. chebi.json chloridometallate anion|chlorometallate anions http://purl.obolibrary.org/obo/CHEBI_51520 3_STAR CHEBI:9782 biolink:ChemicalSubstance Tussilagine CAS:80151-77-5|KNApSAcK:C00002125|KEGG:C10411 chebi.json Tussilagine http://purl.obolibrary.org/obo/CHEBI_9782 2_STAR CHEBI:9783 biolink:ChemicalSubstance Tutin KNApSAcK:C00003381|CAS:2571-22-4|KEGG:C09570 chebi.json Tutin http://purl.obolibrary.org/obo/CHEBI_9783 2_STAR CHEBI:9785 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9785 CHEBI:51514 biolink:ChemicalSubstance N-acylamide An acylamide having the general structure R(1)C(=O)NR(2)R(3) where one or both of R(2) and R(2) is an acyl group. chebi.json N-acylamides http://purl.obolibrary.org/obo/CHEBI_51514 3_STAR CHEBI:51515 biolink:ChemicalSubstance N-butyrylbenzamide Beilstein:2048076|CAS:7473-90-7 chebi.json N-(1-oxobutyl)benzamide|N-butanoylbenzamide http://purl.obolibrary.org/obo/CHEBI_51515 3_STAR CHEBI:51516 biolink:ChemicalSubstance acylimine An imine having the general structure RN=CR2 where one or more of the R groups is an acyl group. chebi.json acylimines http://purl.obolibrary.org/obo/CHEBI_51516 3_STAR CHEBI:51517 biolink:ChemicalSubstance N-acylimine An acylimine having the general structure R'N=CR2 where R' is an acyl group. chebi.json N-acylimines http://purl.obolibrary.org/obo/CHEBI_51517 3_STAR CHEBI:26576 biolink:ChemicalSubstance ricinoleate ester chebi.json http://purl.obolibrary.org/obo/CHEBI_26576 1_STAR CHEBI:51510 biolink:ChemicalSubstance (S)-benzoin Beilstein:2211318 chebi.json (S)-(+)-benzoin|(2S)-2-hydroxy-1,2-diphenylethanone|(S)-benzoin http://purl.obolibrary.org/obo/CHEBI_51510 3_STAR CHEBI:51511 biolink:ChemicalSubstance lithium coordination entity chebi.json lithium coordination entities|lithium coordination compounds http://purl.obolibrary.org/obo/CHEBI_51511 3_STAR CHEBI:26577 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26577 CHEBI:51512 biolink:ChemicalSubstance acylamide A carboxamide of general formula RC(=O)NR2 where one or more of the R groups is an acyl group. chebi.json acylamides http://purl.obolibrary.org/obo/CHEBI_51512 3_STAR CHEBI:26578 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26578 CHEBI:51513 biolink:ChemicalSubstance diiodo(methyl)bis(triphenylphosphane)rhodium Gmelin:1390219|Beilstein:4611528|Gmelin:1201402|MolBase:445 chebi.json diiodido(methyl)bis(triphenylphosphane)rhodium|[RhI2Me(PPh3)2] http://purl.obolibrary.org/obo/CHEBI_51513 3_STAR CHEBI:26579 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26579 CHEBI:26572 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26572 CHEBI:26573 biolink:ChemicalSubstance ribulose phosphate chebi.json ribulose phosphate|ribulose phosphates http://purl.obolibrary.org/obo/CHEBI_26573 3_STAR CHEBI:26574 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26574 CHEBI:26575 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26575 CHEBI:51518 biolink:ChemicalSubstance halometallate anion An anionic coordination entity where halido ligands are coordinated to a metal centre. chebi.json halometallate anions http://purl.obolibrary.org/obo/CHEBI_51518 3_STAR CHEBI:51519 biolink:ChemicalSubstance perhalometallate anion A halometallate anion where all of the ligands coordinated to the metal atom are halido ligands. chebi.json perhalometallate anions http://purl.obolibrary.org/obo/CHEBI_51519 3_STAR CHEBI:26570 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26570 CHEBI:26571 biolink:ChemicalSubstance ribulose 1-phosphate Any ribulose phosphate in which the phosphate is located at position 1. chebi.json ribulose 1-phosphates http://purl.obolibrary.org/obo/CHEBI_26571 3_STAR CHEBI:9797 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9797 CHEBI:9798 biolink:ChemicalSubstance ethyl L-tyrosinate An L-tyrosyl ester that is L-tyrosine in which the hydrogen of the carboxy group has been replaced by an ethyl group. KEGG:C01458|PMID:21698599|Reaxys:2696244|CAS:949-67-7 chebi.json ethyl L-tyrosinate|L-tyrosine ethyl ester|L-Tyr-OEt|ethyl tyrosine ester http://purl.obolibrary.org/obo/CHEBI_9798 3_STAR CHEBI:9799 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9799 CHEBI:9793 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9793 CHEBI:9794 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9794 CHEBI:9795 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9795 CHEBI:9796 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9796 CHEBI:145684 biolink:ChemicalSubstance notoamide E A pyranoindole that is notoamide S in which the phenolic hydrosy group at position 6 of the indole moiety has formal addition to the 3-methylbut-2-en-1-yl group at postion 7 of the indole moiety to give the corresponding 7,7-dimethyl-1,7-dihydropyrano[2,3-g]indole derivative. Isolated from a mussel-derived Aspergillus species. PMID:26287214|PMCID:PMC4300201|PMID:22188465|PMID:23213353|PMID:22140281|MetaCyc:CPD-17360|PMID:29622844|PMID:22140279|PMID:20930478|PMID:21967034|KNApSAcK:C00052019|PMID:19292484 chebi.json notoamide E|(3S,8aS)-3-{[7,7-dimethyl-2-(2-methylbut-3-en-2-yl)-1,7-dihydropyrano[2,3-g]indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione http://purl.obolibrary.org/obo/CHEBI_145684 3_STAR CHEBI:170640 biolink:ChemicalSubstance TG(16:0/20:2n6/14:1(9Z)) HMDB:HMDB0044310|Chemspider:59653741 chebi.json [(2S)-1-hexadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170640 2_STAR CHEBI:145685 biolink:ChemicalSubstance notoamide C A notoamide that is 7,7-dimethyl-1,7-dihydropyrano[2,3-g]indol-2(3H)-one which is substituted at position 3 by 3-methylbut-1-en-3-yl and [(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]methyl groups (the all-S stereoisomer). Isolated from a mussel-derived Aspergillus species. PMID:26287214|KNApSAcK:C00039873|PMID:22188465|PMID:23213353|PMID:24532297|PMID:22140281|CAS:937251-97-3|MetaCyc:CPD-17362|PMID:22140279|PMID:26061478 chebi.json notoamide C|(3S,8aS)-3-{[(3S)-7,7-dimethyl-3-(2-methylbut-3-en-2-yl)-2-oxo-1,2,3,7-tetrahydropyrano[2,3-g]indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione http://purl.obolibrary.org/obo/CHEBI_145685 3_STAR CHEBI:170641 biolink:ChemicalSubstance PE(18:2(9Z,12Z)/20:2(11Z,14Z)) Chemspider:24768562|LIPID_MAPS_instance:LMGP02010671|HMDB:HMDB0009099 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170641 2_STAR CHEBI:145686 biolink:ChemicalSubstance notoamide D An organic heterohexacyclic compound isolated from a mussel-derived Aspergillus species that is 3,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[2,3-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione which is substituted by two methyl groups at position 3, a hydroxy group at the 6b position, and a 2-methylbut-3-en-2-yl group at the 14a position (the 6bR, 7aS, 12aS, 14aS stereoisomer). PMID:26287214|PMID:22188465|PMID:23213353|PMID:22140281|CAS:937251-98-4|KNApSAcK:C00039874|MetaCyc:CPD-17361|PMID:26061478 chebi.json (-)-notoamide D|notoamide D|(6bR,7aS,12aS,14aS)-6b-hydroxy-3,3-dimethyl-14a-(2-methylbut-3-en-2-yl)-3,6b,7,7a,10,11,12,12a,14a,15-decahydro-8H,13H-pyrano[2,3-g]pyrrolo[1'',2'':4',5']pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-8,13-dione http://purl.obolibrary.org/obo/CHEBI_145686 3_STAR CHEBI:170642 biolink:ChemicalSubstance TG(16:0/18:3(6Z,9Z,12Z)/16:0) Chemspider:30777721|HMDB:HMDB0044277 chebi.json 1,3-di(hexadecanoyloxy)propan-2-yl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate http://purl.obolibrary.org/obo/CHEBI_170642 2_STAR CHEBI:145687 biolink:ChemicalSubstance (R)-propyromazine A 1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium that has R-configuration. chebi.json 1-methyl-1-[(2R)-1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium|1-methyl-1-[(2R)-1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidin-1-ium http://purl.obolibrary.org/obo/CHEBI_145687 3_STAR CHEBI:170643 biolink:ChemicalSubstance PE(18:1(9Z)/20:3(8Z,11Z,14Z)) HMDB:HMDB0009068|LIPID_MAPS_instance:LMGP02010648|Chemspider:24768533 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170643 2_STAR CHEBI:145688 biolink:ChemicalSubstance (S)-propyromazine A 1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium that has S-configuration. chebi.json 1-methyl-1-[(2S)-1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidin-1-ium|1-methyl-1-[(2S)-1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium http://purl.obolibrary.org/obo/CHEBI_145688 3_STAR CHEBI:170644 biolink:ChemicalSubstance TG(16:0/18:2(9Z,12Z)/16:1(9Z)) HMDB:HMDB0044255|Chemspider:59653692 chebi.json [(2S)-1-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate http://purl.obolibrary.org/obo/CHEBI_170644 2_STAR CHEBI:145689 biolink:ChemicalSubstance 1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium A member of the class of phenothiazines that is 10H-phenothiazine which is substituted by a 2-(1-methylpyrrolidin-1-ium-1-yl)propanoyl group at position 10. chebi.json 1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidin-1-ium|1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium http://purl.obolibrary.org/obo/CHEBI_145689 3_STAR CHEBI:170645 biolink:ChemicalSubstance PE(18:1(9Z)/20:3(5Z,8Z,11Z)) Chemspider:7825766|HMDB:HMDB0009067|LIPID_MAPS_instance:LMGP02010115 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170645 2_STAR CHEBI:170646 biolink:ChemicalSubstance TG(16:0/18:3(9Z,12Z,15Z)/16:0) HMDB:HMDB0044473|Chemspider:30777728 chebi.json 1,3-di(hexadecanoyloxy)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate http://purl.obolibrary.org/obo/CHEBI_170646 2_STAR CHEBI:170647 biolink:ChemicalSubstance PE(18:1(11Z)/20:3(8Z,11Z,14Z)) Chemspider:24768508|HMDB:HMDB0009035 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170647 2_STAR CHEBI:170648 biolink:ChemicalSubstance TG(16:0/14:1(9Z)/20:2n6) HMDB:HMDB0044040|Chemspider:59653501 chebi.json [(2S)-3-hexadecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170648 2_STAR CHEBI:106080 biolink:ChemicalSubstance N,N-dimethyl-N'-(2-methyl-4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)methanimidamide LINCS:LSM-17441 chebi.json http://purl.obolibrary.org/obo/CHEBI_106080 2_STAR CHEBI:170649 biolink:ChemicalSubstance PE(18:1(11Z)/20:3(5Z,8Z,11Z)) HMDB:HMDB0009034|Chemspider:24768507 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170649 2_STAR CHEBI:106081 biolink:ChemicalSubstance LSM-17442 LINCS:LSM-17442 chebi.json http://purl.obolibrary.org/obo/CHEBI_106081 2_STAR CHEBI:106082 biolink:ChemicalSubstance 1-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea LINCS:LSM-17443 chebi.json http://purl.obolibrary.org/obo/CHEBI_106082 2_STAR CHEBI:106083 biolink:ChemicalSubstance N-[[(4S,5R)-8-[2-(2-fluorophenyl)ethynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide LINCS:LSM-17444 chebi.json http://purl.obolibrary.org/obo/CHEBI_106083 2_STAR CHEBI:145680 biolink:ChemicalSubstance (+)-isomalbrancheamide C(1+) PMID:28777910 chebi.json (+)-isomalbrancheamide C http://purl.obolibrary.org/obo/CHEBI_145680 2_STAR CHEBI:106084 biolink:ChemicalSubstance N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide LINCS:LSM-17445 chebi.json http://purl.obolibrary.org/obo/CHEBI_106084 2_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 chebi.json salicylic acid beta-D-glucopyranosyl ester|1-O-salicyl-beta-D-glucose|1-O-(o-hydroxybenzoyl)-beta-D-glucopyranose|beta-D-glucopyranosyl salicylate|1-O-salicyl-beta-D-glucose|salicylic acid beta-D-glucose ester|salicylate-beta-D-glucose ester|1-O-(2-hydroxybenzoyl)-beta-D-glucopyranose|salicylic acid acyl beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_145681 3_STAR CHEBI:106085 biolink:ChemicalSubstance N-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide LINCS:LSM-17446 chebi.json http://purl.obolibrary.org/obo/CHEBI_106085 2_STAR CHEBI:145682 biolink:ChemicalSubstance 6-hydroxydeoxybrevianamide E PMID:22140281|PMID:20722388 chebi.json 6-hydroxydeoxybrevianamide E http://purl.obolibrary.org/obo/CHEBI_145682 2_STAR CHEBI:145683 biolink:ChemicalSubstance notoamide S A notoamide that is 2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-en-1-yl)-1H-indol-6-ol which has been substituted at position 3 by a [(3S,8aS)-1,4-dioxooctahydropyrrolo[1,2-a]pyrazin-3-yl]methyl group. Isolated from a mussel-derived Aspergillus species. The precursor of notoamide E. PMID:29235872|PMID:25615822|PMID:23213353|PMID:22140281|PMID:20722388|KNApSAcK:C00051826|PMID:22188465|PMID:21796227|MetaCyc:CPD-17357|PMID:29632911 chebi.json notoamide S|(3S,8aS)-3-{[6-hydroxy-2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione http://purl.obolibrary.org/obo/CHEBI_145683 3_STAR CHEBI:106086 biolink:ChemicalSubstance (2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17447 chebi.json http://purl.obolibrary.org/obo/CHEBI_106086 2_STAR CHEBI:106076 biolink:ChemicalSubstance 5-tert-butyl-3-(4-chlorophenyl)-7-(2-ethyl-1-imidazolyl)pyrazolo[1,5-a]pyrimidine LINCS:LSM-17437 chebi.json http://purl.obolibrary.org/obo/CHEBI_106076 2_STAR CHEBI:131032 biolink:ChemicalSubstance N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide LINCS:LSM-42580 chebi.json http://purl.obolibrary.org/obo/CHEBI_131032 2_STAR CHEBI:131033 biolink:ChemicalSubstance LSM-42581 LINCS:LSM-42581 chebi.json http://purl.obolibrary.org/obo/CHEBI_131033 2_STAR CHEBI:106077 biolink:ChemicalSubstance 1-(2,6-dichlorophenyl)-3-(6-methyl-3-pyridinyl)urea LINCS:LSM-17438 chebi.json http://purl.obolibrary.org/obo/CHEBI_106077 2_STAR CHEBI:131034 biolink:ChemicalSubstance [(1S,2aS,8bS)-2-[(2-chlorophenyl)methyl]-2a,3,4,8b-tetrahydro-1H-azeto[2,3-c]quinolin-1-yl]methanol LINCS:LSM-42582 chebi.json http://purl.obolibrary.org/obo/CHEBI_131034 2_STAR CHEBI:106078 biolink:ChemicalSubstance acetic acid [[1-methyl-2-(4-morpholinyl)-3-indolyl]methylideneamino] ester LINCS:LSM-17439 chebi.json http://purl.obolibrary.org/obo/CHEBI_106078 2_STAR CHEBI:106079 biolink:ChemicalSubstance 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-N-(2-furanylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide LINCS:LSM-17440 chebi.json http://purl.obolibrary.org/obo/CHEBI_106079 2_STAR CHEBI:131035 biolink:ChemicalSubstance N-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide LINCS:LSM-42583 chebi.json http://purl.obolibrary.org/obo/CHEBI_131035 2_STAR CHEBI:131036 biolink:ChemicalSubstance 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea LINCS:LSM-42584 chebi.json http://purl.obolibrary.org/obo/CHEBI_131036 2_STAR CHEBI:99480 biolink:ChemicalSubstance (2S,3S,3aR,9bR)-7-(2-fluorophenyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-4-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester LINCS:LSM-10859 chebi.json http://purl.obolibrary.org/obo/CHEBI_99480 2_STAR CHEBI:131037 biolink:ChemicalSubstance N-[(2R,3R)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide LINCS:LSM-42585 chebi.json http://purl.obolibrary.org/obo/CHEBI_131037 2_STAR CHEBI:99481 biolink:ChemicalSubstance (2R,3R,4R)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile LINCS:LSM-10860 chebi.json http://purl.obolibrary.org/obo/CHEBI_99481 2_STAR CHEBI:131038 biolink:ChemicalSubstance N-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-pyridinecarboxamide LINCS:LSM-42586 chebi.json http://purl.obolibrary.org/obo/CHEBI_131038 2_STAR CHEBI:99482 biolink:ChemicalSubstance N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide LINCS:LSM-10861 chebi.json http://purl.obolibrary.org/obo/CHEBI_99482 2_STAR CHEBI:131039 biolink:ChemicalSubstance [(1S,2aR,8bR)-2-[(2-chlorophenyl)methyl]-4-(4-fluorophenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol LINCS:LSM-42587 chebi.json http://purl.obolibrary.org/obo/CHEBI_131039 2_STAR CHEBI:99483 biolink:ChemicalSubstance 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid LINCS:LSM-10862 chebi.json http://purl.obolibrary.org/obo/CHEBI_99483 2_STAR CHEBI:99484 biolink:ChemicalSubstance N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(pyridin-4-ylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide LINCS:LSM-10863 chebi.json http://purl.obolibrary.org/obo/CHEBI_99484 2_STAR CHEBI:99485 biolink:ChemicalSubstance N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyrazinecarboxamide LINCS:LSM-10864 chebi.json http://purl.obolibrary.org/obo/CHEBI_99485 2_STAR CHEBI:99486 biolink:ChemicalSubstance 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide LINCS:LSM-10865 chebi.json http://purl.obolibrary.org/obo/CHEBI_99486 2_STAR CHEBI:99487 biolink:ChemicalSubstance 2-[(2S,5R,6S)-5-[(2-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetic acid methyl ester LINCS:LSM-10866 chebi.json http://purl.obolibrary.org/obo/CHEBI_99487 2_STAR CHEBI:99488 biolink:ChemicalSubstance (3S,6aR,8S,10aR)-8-[2-(cyclobutylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide LINCS:LSM-10867 chebi.json http://purl.obolibrary.org/obo/CHEBI_99488 2_STAR CHEBI:99489 biolink:ChemicalSubstance 2-[(2R,4aR,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-fluorophenyl)methyl]acetamide LINCS:LSM-10868 chebi.json http://purl.obolibrary.org/obo/CHEBI_99489 2_STAR CHEBI:131030 biolink:ChemicalSubstance N-[(3S,9S,10S)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide LINCS:LSM-42578 chebi.json http://purl.obolibrary.org/obo/CHEBI_131030 2_STAR CHEBI:131031 biolink:ChemicalSubstance (6R,7S,8S)-7-[4-(2-cyclohexylethynyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one LINCS:LSM-42579 chebi.json http://purl.obolibrary.org/obo/CHEBI_131031 2_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). KEGG:D08561|PMID:30628997|PMID:30822365|PMID:2897609|Drug_Central:2563|PMID:31509356|PMID:18062405|PMID:24207070|DrugBank:DB12833|PMID:1970610|PMID:2895201|PMID:1981263|PMID:25170231|PMID:2898033|PMID:25879718|CAS:87760-53-0|PMID:29433063|PMID:25804359|PMID:31643024|PMID:2572002|PMID:26027828|Wikipedia:Tandospirone|PMID:1971265|PMID:1974152|PMID:29254282|PMID:20676611|PMID:30204599 chebi.json SM-3997|tandospirone|tandospirona|(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|tandospironum http://purl.obolibrary.org/obo/CHEBI_145673 3_STAR CHEBI:170651 biolink:ChemicalSubstance PE(16:1(9Z)/20:3(8Z,11Z,14Z)) LIPID_MAPS_instance:LMGP02010532 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170651 2_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. chebi.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:170652 biolink:ChemicalSubstance TG(16:0/14:0/20:3(5Z,8Z,11Z)) HMDB:HMDB0043839|Chemspider:59653329 chebi.json [(2S)-3-hexadecanoyloxy-2-tetradecanoyloxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170652 2_STAR CHEBI:145675 biolink:ChemicalSubstance 1-hydroxy-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-4H,6H,7H,8H-pyrrolo[1,2-a]pyrazin-2-ium A member of the class of indoles that is 1H-indole substituted by a 3-methylbut-1-en-3-yl group at position 2 and a (1-hydroxy-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazin-2-ium-3-yl)methyl group at position 3. PMID:31548667 chebi.json 1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-4H,6H,7H,8H-pyrrolo[1,2-a]pyrazin-2-ium|1-hydroxy-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-4H,6H,7H,8H-pyrrolo[1,2-a]pyrazine|3-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl]-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazin-2-ium-1-ol|1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrazin-2-ium http://purl.obolibrary.org/obo/CHEBI_145675 3_STAR CHEBI:170653 biolink:ChemicalSubstance PE(20:1(11Z)/18:3(9Z,12Z,15Z)) LIPID_MAPS_instance:LMGP02010856|Chemspider:24768711|HMDB:HMDB0009260 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170653 2_STAR CHEBI:145676 biolink:ChemicalSubstance adenosine 3'-diphosphate,5'-diphosphate(5-) Major species at pH 7.3. PMID:31695193 chebi.json ppApp|adenosine 3'-diphosphate,5'-diphosphate http://purl.obolibrary.org/obo/CHEBI_145676 2_STAR CHEBI:170654 biolink:ChemicalSubstance TG(16:0/14:0/20:3n6) Chemspider:59653334|HMDB:HMDB0043845 chebi.json [(2S)-3-hexadecanoyloxy-2-tetradecanoyloxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170654 2_STAR CHEBI:145677 biolink:ChemicalSubstance (+)-malbrancheamide B(1+) PMID:28777910|PMID:31548667 chebi.json (+)-malbrancheamide B http://purl.obolibrary.org/obo/CHEBI_145677 2_STAR CHEBI:170655 biolink:ChemicalSubstance PE(20:1(11Z)/18:3(6Z,9Z,12Z)) LIPID_MAPS_instance:LMGP02010855|Chemspider:24768710|HMDB:HMDB0009259 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170655 2_STAR CHEBI:145678 biolink:ChemicalSubstance (+)-isomalbrancheamide B(1+) PMID:28777910|PMID:31548667 chebi.json (+)-isomalbrancheamide B http://purl.obolibrary.org/obo/CHEBI_145678 2_STAR CHEBI:170656 biolink:ChemicalSubstance TG(15:0/20:3n6/15:0) HMDB:HMDB0043482|Chemspider:30777698 chebi.json 1,3-di(pentadecanoyloxy)propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170656 2_STAR CHEBI:145679 biolink:ChemicalSubstance (+)-malbrancheamide C(1+) PMID:28777910 chebi.json (+)-malbrancheamide C http://purl.obolibrary.org/obo/CHEBI_145679 2_STAR CHEBI:170657 biolink:ChemicalSubstance PE(18:0/20:4(8Z,11Z,14Z,17Z)) HMDB:HMDB0009004|Chemspider:24768481 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170657 2_STAR CHEBI:170658 biolink:ChemicalSubstance TG(15:0/20:3(5Z,8Z,11Z)/15:0) HMDB:HMDB0043308|Chemspider:30777690 chebi.json 1,3-di(pentadecanoyloxy)propan-2-yl (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170658 2_STAR CHEBI:170659 biolink:ChemicalSubstance PC(20:4(8Z,11Z,14Z,17Z)/15:0) HMDB:HMDB0008461|Chemspider:24767122 chebi.json [(2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170659 2_STAR CHEBI:106070 biolink:ChemicalSubstance [(2R,3R,4S)-4-(1-benzothiophen-3-yl)-2-ethoxy-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-yl]-[4-(phenylmethyl)-1-piperazinyl]methanone LINCS:LSM-17431 chebi.json http://purl.obolibrary.org/obo/CHEBI_106070 2_STAR CHEBI:106071 biolink:ChemicalSubstance 2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide LINCS:LSM-17432 chebi.json http://purl.obolibrary.org/obo/CHEBI_106071 2_STAR CHEBI:106072 biolink:ChemicalSubstance N-[5-(diethylsulfamoyl)-2-(4-morpholinyl)phenyl]-2-oxo-1-benzopyran-3-carboxamide LINCS:LSM-17433 chebi.json http://purl.obolibrary.org/obo/CHEBI_106072 2_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:9662552|PMID:30294315|PMID:19117519 chebi.json 2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}benzoate|2-(beta-D-glucosyloxy)benzoate|2-(beta-D-glucopyranosyloxy)benzoate|salicylate 2-O-beta-D-glucoside|salicylate 2-O-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_145670 3_STAR CHEBI:106073 biolink:ChemicalSubstance 5-(2-furanyl)-3-(3-pyridinyl)-1,2,4-oxadiazole LINCS:LSM-17434 chebi.json http://purl.obolibrary.org/obo/CHEBI_106073 2_STAR CHEBI:145671 biolink:ChemicalSubstance N,N-dimethyl-L-prolinium residue The N,N-dimethylated derivative of L-proliniumyl group chebi.json N-terminal N,N-dimethyl-L-proline residue http://purl.obolibrary.org/obo/CHEBI_145671 2_STAR CHEBI:106074 biolink:ChemicalSubstance N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-methyl-2-(3-pyridinyl)-4-quinazolinamine LINCS:LSM-17435 chebi.json http://purl.obolibrary.org/obo/CHEBI_106074 2_STAR CHEBI:145672 biolink:ChemicalSubstance propyromazine bromide An organic bromide salt of propyromazine. It is a muscarinic antagonist which has antispasmodic potential. CAS:145-54-0|PMID:13920549|PMID:13968529|PMID:13898019|PMID:14239521|PMID:14048701|PMID:14017623 chebi.json SD-104-19|1-methyl-1-(1-phenothiazin-10-ylcarbonylethyl)pyrrolidinium bromide|bromure de propyromazine|diospasmyl|SD 104|Diamant|propyromazini bromidum|propyromazine bromide|rac-1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium bromide|1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidin-1-ium bromide|SD-104|1-methyl-1-[1-oxo-1-(10H-phenothiazin-10-yl)propan-2-yl]pyrrolidinium bromide|LD 335|bromuro de propiromazina|Diaspasmyl|diaspasmol http://purl.obolibrary.org/obo/CHEBI_145672 3_STAR CHEBI:106075 biolink:ChemicalSubstance N-[2-(2-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-2-propenamide LINCS:LSM-17436 chebi.json http://purl.obolibrary.org/obo/CHEBI_106075 2_STAR CHEBI:131043 biolink:ChemicalSubstance 1-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea LINCS:LSM-42591 chebi.json http://purl.obolibrary.org/obo/CHEBI_131043 2_STAR CHEBI:106065 biolink:ChemicalSubstance N-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclohexanecarboxamide LINCS:LSM-17426 chebi.json http://purl.obolibrary.org/obo/CHEBI_106065 2_STAR CHEBI:106066 biolink:ChemicalSubstance N-[2-[(4-methylanilino)-oxomethyl]phenyl]-3-pyridinecarboxamide LINCS:LSM-17427 chebi.json http://purl.obolibrary.org/obo/CHEBI_106066 2_STAR CHEBI:131044 biolink:ChemicalSubstance (3R)-3-(2-hydroxyethyl)-4-[3-(2-methoxyphenyl)phenyl]-2-(1-oxopropyl)-N-(2-thiazolyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide LINCS:LSM-42592 chebi.json http://purl.obolibrary.org/obo/CHEBI_131044 2_STAR CHEBI:106067 biolink:ChemicalSubstance 6-methyl-2-oxo-5-[oxo-(1-phenylethylamino)methyl]-1H-pyridine-3-carboxylic acid ethyl ester LINCS:LSM-17428 chebi.json http://purl.obolibrary.org/obo/CHEBI_106067 2_STAR CHEBI:131045 biolink:ChemicalSubstance 1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-(1-naphthalenyl)urea LINCS:LSM-42593 chebi.json http://purl.obolibrary.org/obo/CHEBI_131045 2_STAR CHEBI:131046 biolink:ChemicalSubstance [(3aR,4R,9bR)-8-(3-fluorophenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(4-oxanyl)methanone LINCS:LSM-42594 chebi.json http://purl.obolibrary.org/obo/CHEBI_131046 2_STAR CHEBI:106068 biolink:ChemicalSubstance N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-1-propanesulfonamide LINCS:LSM-17429 chebi.json http://purl.obolibrary.org/obo/CHEBI_106068 2_STAR CHEBI:106069 biolink:ChemicalSubstance LSM-17430 LINCS:LSM-17430 chebi.json http://purl.obolibrary.org/obo/CHEBI_106069 2_STAR CHEBI:131047 biolink:ChemicalSubstance LSM-42595 LINCS:LSM-42595 chebi.json http://purl.obolibrary.org/obo/CHEBI_131047 2_STAR CHEBI:131048 biolink:ChemicalSubstance [(8R,9S,10R)-10-(hydroxymethyl)-9-[4-(2-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-(3-pyridinyl)methanone LINCS:LSM-42596 chebi.json http://purl.obolibrary.org/obo/CHEBI_131048 2_STAR CHEBI:99470 biolink:ChemicalSubstance LSM-10849 LINCS:LSM-10849 chebi.json http://purl.obolibrary.org/obo/CHEBI_99470 2_STAR CHEBI:99471 biolink:ChemicalSubstance LSM-10850 LINCS:LSM-10850 chebi.json http://purl.obolibrary.org/obo/CHEBI_99471 2_STAR CHEBI:131049 biolink:ChemicalSubstance (6R,7S,8S)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one LINCS:LSM-42597 chebi.json http://purl.obolibrary.org/obo/CHEBI_131049 2_STAR CHEBI:99472 biolink:ChemicalSubstance 1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea LINCS:LSM-10851 chebi.json http://purl.obolibrary.org/obo/CHEBI_99472 2_STAR CHEBI:99473 biolink:ChemicalSubstance (2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-6-oxo-N-phenyl-7-(3-pyridinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide LINCS:LSM-10852 chebi.json http://purl.obolibrary.org/obo/CHEBI_99473 2_STAR CHEBI:99474 biolink:ChemicalSubstance N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(1-oxopropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide LINCS:LSM-10853 chebi.json http://purl.obolibrary.org/obo/CHEBI_99474 2_STAR CHEBI:99475 biolink:ChemicalSubstance (2S,3S,3aR,9bR)-7-(1-cyclohexenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1-(2-pyridinylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide LINCS:LSM-10854 chebi.json http://purl.obolibrary.org/obo/CHEBI_99475 2_STAR CHEBI:99476 biolink:ChemicalSubstance LSM-10855 LINCS:LSM-10855 chebi.json http://purl.obolibrary.org/obo/CHEBI_99476 2_STAR CHEBI:99477 biolink:ChemicalSubstance N-[(2R,4aS,12aR)-2-[2-(cyclopentylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide LINCS:LSM-10856 chebi.json http://purl.obolibrary.org/obo/CHEBI_99477 2_STAR CHEBI:99478 biolink:ChemicalSubstance LSM-10857 LINCS:LSM-10857 chebi.json http://purl.obolibrary.org/obo/CHEBI_99478 2_STAR CHEBI:131040 biolink:ChemicalSubstance 1-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-[4-(trifluoromethyl)phenyl]urea LINCS:LSM-42588 chebi.json http://purl.obolibrary.org/obo/CHEBI_131040 2_STAR CHEBI:99479 biolink:ChemicalSubstance N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-[(1-methyl-4-imidazolyl)sulfonyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide LINCS:LSM-10858 chebi.json http://purl.obolibrary.org/obo/CHEBI_99479 2_STAR CHEBI:131041 biolink:ChemicalSubstance (5S,8R)-8-[(4-methoxyphenyl)methyl]-5-propan-2-yl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one LINCS:LSM-42589 chebi.json http://purl.obolibrary.org/obo/CHEBI_131041 2_STAR CHEBI:170650 biolink:ChemicalSubstance TG(16:0/16:0/18:3(6Z,9Z,12Z)) LIPID_MAPS_instance:LMGL03012981|Chemspider:75320469 chebi.json [(2R)-2,3-di(hexadecanoyloxy)propyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate http://purl.obolibrary.org/obo/CHEBI_170650 2_STAR CHEBI:131042 biolink:ChemicalSubstance (6S,7R,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-methylsulfonyl-1,4-diazabicyclo[4.2.0]octan-2-one LINCS:LSM-42590 chebi.json http://purl.obolibrary.org/obo/CHEBI_131042 2_STAR CHEBI:170662 biolink:ChemicalSubstance PC(15:0/20:4(8Z,11Z,14Z,17Z)) HMDB:HMDB0007950|Chemspider:24766625 chebi.json [(2R)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170662 2_STAR CHEBI:145662 biolink:ChemicalSubstance pibutidine An aromtic ether that is 4-(piperidin-1-ylmethyl)pyridin-2-ol in which the hydroxy group has been substituted by a {(2Z)-4-[(2-amino-3,4-dioxocyclobut-1-en-1-yl)amino]but-2-en-1-yl}oxy group. It is a H2 receptor antagonist which was developed for the treatment of peptic ulcers and duodenal ulcers. PMID:11130203|HMDB:HMDB0041986|CAS:103922-33-4|PMID:10421905|PMID:10821404|PMID:11816008|PMID:10028383 chebi.json pibutidine|pibutidina|3-amino-4-[[(Z)-4-[4-(piperidinomethyl)pyridin-2-yloxy]-2-butenyl]amino]-3-cyclobutene-1,2-dione|3-amino-4-{[(2Z)-4-{[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy}but-2-en-1-yl]amino}cyclobut-3-ene-1,2-dione|pibutidinum http://purl.obolibrary.org/obo/CHEBI_145662 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. PMID:26241499|PMID:30294315|PMID:19449088|PMID:19117519|PMID:19714359|PMID:22118617|CAS:10367-11-0|PMID:18182429|PMID:9662552 chebi.json 2-O-beta-glucopyranosylsalicylic acid|2-carboxyphenyl beta-D-glucopyranoside|2-(beta-D-glucopyranosyloxy)benzoic acid|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|2-O-(beta-D-glucosyl)salicylic acid|salicylic acid beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_145663 3_STAR CHEBI:170663 biolink:ChemicalSubstance TG(15:0/15:0/20:3(5Z,8Z,11Z)) Chemspider:59652533|HMDB:HMDB0043000 chebi.json [(2S)-2,3-di(pentadecanoyloxy)propyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170663 2_STAR CHEBI:145664 biolink:ChemicalSubstance D-glucofuranose The furanose form of D-glucose. GlyTouCan:G51256ID|GlyGen:G51256ID chebi.json (3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol|WURCS=2.0/1,1,0/[a2122h-1x_1-4]/1/ http://purl.obolibrary.org/obo/CHEBI_145664 3_STAR CHEBI:170664 biolink:ChemicalSubstance TG(14:0/18:3(9Z,12Z,15Z)/18:0) Chemspider:59652295|HMDB:HMDB0042754 chebi.json [(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-tetradecanoyloxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170664 2_STAR CHEBI:145665 biolink:ChemicalSubstance pibutidine(1+) A piperidinium ion resulting from the protonation of the piperidine nitrogen of pibutidine; major species at pH 7.3. chebi.json 1-{[2-({(2Z)-4-[(2-amino-3,4-dioxocyclobut-1-en-1-yl)amino]but-2-en-1-yl}oxy)pyridin-4-yl]methyl}piperidinium|pibutidine cation http://purl.obolibrary.org/obo/CHEBI_145665 3_STAR CHEBI:170665 biolink:ChemicalSubstance TG(14:0/22:2(13Z,16Z)/14:1(9Z)) Chemspider:59652212|HMDB:HMDB0042668 chebi.json [(2S)-1-tetradecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170665 2_STAR CHEBI:170666 biolink:ChemicalSubstance TG(14:0/20:3(5Z,8Z,11Z)/16:0) Chemspider:59651975|HMDB:HMDB0042423 chebi.json [(2S)-1-hexadecanoyloxy-3-tetradecanoyloxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170666 2_STAR CHEBI:145666 biolink:ChemicalSubstance N(2)-acetyl-L-argininium residue chebi.json N-terminal N(alpha)-acetyl-L-arginine residue http://purl.obolibrary.org/obo/CHEBI_145666 2_STAR CHEBI:145667 biolink:ChemicalSubstance fluopimomide A benzamide resulting from the formal condensation of the carboxy group of 2,3,5,6-tetrafluoro-4-methoxybenzoic acid with the amino group of 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methanamine. It is a benzamide fungicide, synthesized by Shandong Sino-Agri United Biotechnology Co., Ltd (China). Used for the control of cucumber and grape downy mildew, phytophthora capsici, litchi downy blight, potato late blight, rice sheath blight, and cotton rhizoctonia solani. Pesticides:fluopimomide|CAS:1309859-39-9|Reaxys:30171563|PMID:31169087 chebi.json N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide|N-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-2,3,5,6-tetrafluoro-4-methoxybenzamide|N-{[3-chloro-5-(trifluoromethyl)-2-pyridyl]methyl}-2,3,5,6-tetrafluoro-4-methoxybenzamide|Kanuozi http://purl.obolibrary.org/obo/CHEBI_145667 3_STAR CHEBI:170667 biolink:ChemicalSubstance PE(24:1(15Z)/14:1(9Z)) HMDB:HMDB0009746|Chemspider:24769186 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-tetracos-15-enoate http://purl.obolibrary.org/obo/CHEBI_170667 2_STAR CHEBI:170668 biolink:ChemicalSubstance TG(14:0/18:1(9Z)/18:2(9Z,12Z)) LIPID_MAPS_instance:LMGL03014362|Chemspider:75320234 chebi.json [(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetradecanoyloxypropan-2-yl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170668 2_STAR CHEBI:145668 biolink:ChemicalSubstance bromacil-sodium chebi.json http://purl.obolibrary.org/obo/CHEBI_145668 1_STAR CHEBI:170669 biolink:ChemicalSubstance PE(22:2(13Z,16Z)/16:0) HMDB:HMDB0009550|Chemspider:24768994|LIPID_MAPS_instance:LMGP02011077 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170669 2_STAR CHEBI:145669 biolink:ChemicalSubstance 2,6-diisopropylnaphthalene A member of the class of napthalenes that is naphthalene which is substituted by an isopropyl group at positions 2 and 6. It is a plant growth regulator which inhibits the sprouting of potatoes during storage. PMID:19680850|Wikipedia:2,6-Diisopropylnaphthalene|PMID:4074941|PMID:26716880|PMID:4006835|AGR:IND44620801|Reaxys:1932163|PMID:6126346|PMID:26682357|CAS:24157-81-1|PMID:12541589|CAS:24157-81-1|PMID:729105|PMID:2085898|HMDB:HMDB0059902|PMID:9585087 chebi.json 2,6-di(propan-2-yl)naphthalene|2,6-bis(1-methylethyl)naphthalene|Amplify|2,6-DIPN http://purl.obolibrary.org/obo/CHEBI_145669 3_STAR CHEBI:131018 biolink:ChemicalSubstance 1-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylphenyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea LINCS:LSM-42566 chebi.json http://purl.obolibrary.org/obo/CHEBI_131018 2_STAR CHEBI:131019 biolink:ChemicalSubstance [(1R,2aR,8bR)-4-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-cyclopentylmethanone LINCS:LSM-42567 chebi.json http://purl.obolibrary.org/obo/CHEBI_131019 2_STAR CHEBI:145660 biolink:ChemicalSubstance (R)-2-hydroxy-3-methylbutyrate A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (R)-2-hydroxy-3-methylbutyric acid. The major species at pH 7.3. PMID:19105175 chebi.json D-Hiv|D-2-hydroxyisovalerate|(R)-2-hydroxy-3-methylbutyrate|(2R)-2-hydroxy-3-methylbutanoate http://purl.obolibrary.org/obo/CHEBI_145660 3_STAR CHEBI:145661 biolink:ChemicalSubstance bolandiol A 3beta-hydroxy steroid that is estr-4-ene substituted by a beta-hydroxy group at positions 3 and 17. It is a synthetic anabolic steroid that is used as a dietary supplement by athletes to enhance performance. PMID:23258627|PMID:18423786|PMID:19888961|PMID:16814335|PMID:15902981|PMID:16714373|PMID:15370836|CAS:19793-20-5|PMID:19941958|DrugBank:DB01554|Wikipedia:Bolandiol|PMID:18763272|PMID:18096666 chebi.json 19-norandrosta-4-ene-3beta,17beta-diol|4-norendiol|(1S,3aS,3bR,7S,9aR,9bS,11aS)-11a-methyl-2,3,3a,3b,4,5,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-cyclopenta[a]phenanthrene-1,7-diol|3beta,17beta-dihydroxyestr-4-ene|19-nortestosterone-3beta,17beta-diol|3beta-dihydronandrolone|bolandiolum|4-estren-3beta,17beta-diol|19-nor-4-androstenediol|estr-4-ene-3beta,17beta-diol|bolandiol http://purl.obolibrary.org/obo/CHEBI_145661 3_STAR CHEBI:131010 biolink:ChemicalSubstance [(1S)-7-methoxy-2-[(3-methoxyphenyl)methyl]-1'-methyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanol LINCS:LSM-42558 chebi.json http://purl.obolibrary.org/obo/CHEBI_131010 2_STAR CHEBI:106098 biolink:ChemicalSubstance (2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(3-pyridinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17459 chebi.json http://purl.obolibrary.org/obo/CHEBI_106098 2_STAR CHEBI:106099 biolink:ChemicalSubstance N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-phenylacetamide LINCS:LSM-17460 chebi.json http://purl.obolibrary.org/obo/CHEBI_106099 2_STAR CHEBI:131011 biolink:ChemicalSubstance (2R,3R)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-42559 chebi.json http://purl.obolibrary.org/obo/CHEBI_131011 2_STAR CHEBI:131012 biolink:ChemicalSubstance N-[(3R,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide LINCS:LSM-42560 chebi.json http://purl.obolibrary.org/obo/CHEBI_131012 2_STAR CHEBI:131013 biolink:ChemicalSubstance 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-[(4-phenoxyphenyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-morpholinyl)ethanone LINCS:LSM-42561 chebi.json http://purl.obolibrary.org/obo/CHEBI_131013 2_STAR CHEBI:131014 biolink:ChemicalSubstance N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-(dimethylamino)butanamide LINCS:LSM-42562 chebi.json http://purl.obolibrary.org/obo/CHEBI_131014 2_STAR CHEBI:131015 biolink:ChemicalSubstance LSM-42563 LINCS:LSM-42563 chebi.json http://purl.obolibrary.org/obo/CHEBI_131015 2_STAR CHEBI:131016 biolink:ChemicalSubstance (2R,3R)-N-cyclohexyl-1-(cyclopentylmethyl)-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptane-6-carboxamide LINCS:LSM-42564 chebi.json http://purl.obolibrary.org/obo/CHEBI_131016 2_STAR CHEBI:131017 biolink:ChemicalSubstance 1-[(2S,3R)-2-(hydroxymethyl)-6-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone LINCS:LSM-42565 chebi.json http://purl.obolibrary.org/obo/CHEBI_131017 2_STAR CHEBI:170660 biolink:ChemicalSubstance TG(15:0/15:0/20:3n6) Chemspider:59652539|HMDB:HMDB0043006 chebi.json [(2S)-2,3-di(pentadecanoyloxy)propyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170660 2_STAR CHEBI:170661 biolink:ChemicalSubstance PC(20:4(5Z,8Z,11Z,14Z)/15:0) HMDB:HMDB0008428|LIPID_MAPS_instance:LMGP01011901|Chemspider:24767089 chebi.json [(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170661 2_STAR CHEBI:145651 biolink:ChemicalSubstance (+)-malbrancheamide(1+) PMID:31548667|PDBeChem:J6P chebi.json (+)-malbrancheamide http://purl.obolibrary.org/obo/CHEBI_145651 2_STAR CHEBI:170673 biolink:ChemicalSubstance PE(20:2(11Z,14Z)/18:0) Chemspider:24768739|LIPID_MAPS_instance:LMGP02010882|HMDB:HMDB0009288 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170673 2_STAR CHEBI:145652 biolink:ChemicalSubstance (S)-3-(indol-3-ylmethyl)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one A member of the class of indoles that is 1H-indole substituted by a [(8aS)-1-oxo-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl group at position 3. PMID:31548667 chebi.json (8aS)-3-(1H-indol-3-ylmethyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one|(8aS)-3-(1H-indol-3-ylmethyl)-2H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-1-one|(8aS)-3-(1H-indol-3-ylmethyl)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1(2H)-one|(S)-3-(indol-3-ylmethyl)-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one|(8aS)-3-[(1H-indol-3-yl)methyl]-1H,2H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-1-one http://purl.obolibrary.org/obo/CHEBI_145652 3_STAR CHEBI:170674 biolink:ChemicalSubstance TG(14:0/14:1(9Z)/22:2(13Z,16Z)) LIPID_MAPS_instance:LMGL03014161 chebi.json [(2R)-3-tetradecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170674 2_STAR CHEBI:145653 biolink:ChemicalSubstance carpronium A methyl ester resulting from the formal condensation of the carboxy group of 4-(trimethylammonio)butanoic acid with methanol. CAS:14075-13-9|PMID:6745806|Drug_Central:519 chebi.json carpronium ion|4-methoxy-N,N,N-trimethyl-4-oxobutan-1-aminium|carpronium cation http://purl.obolibrary.org/obo/CHEBI_145653 3_STAR CHEBI:170675 biolink:ChemicalSubstance PE(20:0/18:2(9Z,12Z)) HMDB:HMDB0009225|Chemspider:7825775|LIPID_MAPS_instance:LMGP02010125 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170675 2_STAR CHEBI:170676 biolink:ChemicalSubstance TG(14:0/18:0/18:3(9Z,12Z,15Z)) Chemspider:75320225|LIPID_MAPS_instance:LMGL03014344 chebi.json [(2R)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-tetradecanoyloxypropan-2-yl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170676 2_STAR CHEBI:145655 biolink:ChemicalSubstance (S)-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one A member of the class of indoles that is 1H-indole substituted by a 3-methylbut-1-en-3-yl group at position 2 and a [(8aS)-1-oxo-1,2,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl group at position 3. PMID:31548667 chebi.json (8aS)-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1(2H)-one|(S)-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one|(8aS)-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-1H,2H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-1-one|(S)-3-{[2-(2-methylbut-3-en-2-yl)-indol-3-yl]methyl}-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazin-1-one|(8aS)-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-2H,6H,7H,8H,8aH-pyrrolo[1,2-a]pyrazin-1-one http://purl.obolibrary.org/obo/CHEBI_145655 3_STAR CHEBI:170677 biolink:ChemicalSubstance PE(18:2(9Z,12Z)/20:0) Chemspider:24768560|HMDB:HMDB0009097|LIPID_MAPS_instance:LMGP02010669 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170677 2_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. PMID:21238568|PMID:6367980|PMID:16441437|PMID:18952901|PMID:19345342|PMID:19414751|PMID:20856869|PMID:21178496|PMID:19684080|PMID:9691456|CAS:70903-49-0|PMID:21843086|PMID:23308194 chebi.json glucuronoxylomannogalactan|GalXM http://purl.obolibrary.org/obo/CHEBI_145656 3_STAR CHEBI:170678 biolink:ChemicalSubstance TG(14:0/20:3n6/16:0) HMDB:HMDB0042603|Chemspider:59652149 chebi.json [(2S)-1-hexadecanoyloxy-3-tetradecanoyloxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170678 2_STAR CHEBI:170679 biolink:ChemicalSubstance PE(18:1(9Z)/20:1(11Z)) Chemspider:7825776|LIPID_MAPS_instance:LMGP02010126|HMDB:HMDB0009065 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170679 2_STAR CHEBI:145657 biolink:ChemicalSubstance 1-hydroxy-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazin-5-ylium A member of the class of indoles that is 1H-indole substituted by a 3-methylbut-1-en-3-yl group at position 2 and a (1-hydroxy-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-5-ium-3-yl)methyl group at position 3. PMID:31548667 chebi.json 1-hydroxy-3-{[2-(1,1-dimethylallyl)-indol-3-yl]methyl}-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazine|1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazin-5-ium|1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-indol-3-yl]methyl}-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazin-5-ylium|1-hydroxy-3-{[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methyl}-6H,7H,8H-5lambda(5)-pyrrolo[1,2-a]pyrazin-5-ylium http://purl.obolibrary.org/obo/CHEBI_145657 3_STAR CHEBI:145658 biolink:ChemicalSubstance (+)-premalbrancheamide(1+) PMID:31548667 chebi.json (+)-premalbrancheamide http://purl.obolibrary.org/obo/CHEBI_145658 2_STAR CHEBI:106090 biolink:ChemicalSubstance N-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-N-methylbenzamide LINCS:LSM-17451 chebi.json http://purl.obolibrary.org/obo/CHEBI_106090 2_STAR CHEBI:131029 biolink:ChemicalSubstance N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide LINCS:LSM-42577 chebi.json http://purl.obolibrary.org/obo/CHEBI_131029 2_STAR CHEBI:106091 biolink:ChemicalSubstance (2R)-2-[(4R,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17452 chebi.json http://purl.obolibrary.org/obo/CHEBI_106091 2_STAR CHEBI:106092 biolink:ChemicalSubstance N-[[(2S,3S)-8-(1-cyclopentenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridinecarboxamide LINCS:LSM-17453 chebi.json http://purl.obolibrary.org/obo/CHEBI_106092 2_STAR CHEBI:106093 biolink:ChemicalSubstance 1-[[(2R,3R)-8-(2-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea LINCS:LSM-17454 chebi.json http://purl.obolibrary.org/obo/CHEBI_106093 2_STAR CHEBI:106094 biolink:ChemicalSubstance LSM-17455 LINCS:LSM-17455 chebi.json http://purl.obolibrary.org/obo/CHEBI_106094 2_STAR CHEBI:106095 biolink:ChemicalSubstance N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-phenylacetamide LINCS:LSM-17456 chebi.json http://purl.obolibrary.org/obo/CHEBI_106095 2_STAR CHEBI:106096 biolink:ChemicalSubstance N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide LINCS:LSM-17457 chebi.json http://purl.obolibrary.org/obo/CHEBI_106096 2_STAR CHEBI:106097 biolink:ChemicalSubstance N-[[(2R,3S)-8-(1-cyclopentenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridinecarboxamide LINCS:LSM-17458 chebi.json http://purl.obolibrary.org/obo/CHEBI_106097 2_STAR CHEBI:145650 biolink:ChemicalSubstance deoxytalose A deoxyhexose resulting from the replacement of at least one hydroxy group of a talose by a hydrogen. chebi.json http://purl.obolibrary.org/obo/CHEBI_145650 3_STAR CHEBI:131021 biolink:ChemicalSubstance 1-[(1S,2aS,8bS)-2-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-methoxyethanone LINCS:LSM-42569 chebi.json http://purl.obolibrary.org/obo/CHEBI_131021 2_STAR CHEBI:106087 biolink:ChemicalSubstance (2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17448 chebi.json http://purl.obolibrary.org/obo/CHEBI_106087 2_STAR CHEBI:131022 biolink:ChemicalSubstance (6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one LINCS:LSM-42570 chebi.json http://purl.obolibrary.org/obo/CHEBI_131022 2_STAR CHEBI:106088 biolink:ChemicalSubstance N-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-phenylacetamide LINCS:LSM-17449 chebi.json http://purl.obolibrary.org/obo/CHEBI_106088 2_STAR CHEBI:131023 biolink:ChemicalSubstance N-[[(2R,3S,4S)-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-[4-(3-pyridinyl)phenyl]-2-azetidinyl]methyl]-N-methylacetamide LINCS:LSM-42571 chebi.json http://purl.obolibrary.org/obo/CHEBI_131023 2_STAR CHEBI:106089 biolink:ChemicalSubstance N-[[(2R,3R)-8-(2-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide LINCS:LSM-17450 chebi.json http://purl.obolibrary.org/obo/CHEBI_106089 2_STAR CHEBI:99490 biolink:ChemicalSubstance 2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-phenoxyphenyl)methyl]acetamide LINCS:LSM-10869 chebi.json http://purl.obolibrary.org/obo/CHEBI_99490 2_STAR CHEBI:131024 biolink:ChemicalSubstance N-[(2R,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide LINCS:LSM-42572 chebi.json http://purl.obolibrary.org/obo/CHEBI_131024 2_STAR CHEBI:131025 biolink:ChemicalSubstance 3-[(3aR,4S,9bR)-4-(hydroxymethyl)-5-methyl-1-(2-methylphenyl)sulfonyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-8-yl]benzonitrile LINCS:LSM-42573 chebi.json http://purl.obolibrary.org/obo/CHEBI_131025 2_STAR CHEBI:99491 biolink:ChemicalSubstance (2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-[(2-methoxyphenyl)methyl]-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide LINCS:LSM-10870 chebi.json http://purl.obolibrary.org/obo/CHEBI_99491 2_STAR CHEBI:131026 biolink:ChemicalSubstance 1-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(methylsulfonyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-propan-2-ylurea LINCS:LSM-42574 chebi.json http://purl.obolibrary.org/obo/CHEBI_131026 2_STAR CHEBI:99492 biolink:ChemicalSubstance N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(pyridin-4-ylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide LINCS:LSM-10871 chebi.json http://purl.obolibrary.org/obo/CHEBI_99492 2_STAR CHEBI:131027 biolink:ChemicalSubstance (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyridinyl)methyl]-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide LINCS:LSM-42575 chebi.json http://purl.obolibrary.org/obo/CHEBI_131027 2_STAR CHEBI:99493 biolink:ChemicalSubstance N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide LINCS:LSM-10872 chebi.json http://purl.obolibrary.org/obo/CHEBI_99493 2_STAR CHEBI:131028 biolink:ChemicalSubstance 1-cyclohexyl-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea LINCS:LSM-42576 chebi.json http://purl.obolibrary.org/obo/CHEBI_131028 2_STAR CHEBI:99494 biolink:ChemicalSubstance N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxybenzenesulfonamide LINCS:LSM-10873 chebi.json http://purl.obolibrary.org/obo/CHEBI_99494 2_STAR CHEBI:145659 biolink:ChemicalSubstance EtNP-6-alpha-D-Man-(1->2)-alpha-D-Man-(1->6)-[beta-D-GalNAc-(1->4)]-alpha-D-Man-(1->4)-alpha-D-GlcNAc-(1->6)-myo-inositol-phospholipid zwitterion chebi.json a GPI-phosphoethanolamine beta-D-GalNAc-(1->4)-mannose derivative http://purl.obolibrary.org/obo/CHEBI_145659 2_STAR CHEBI:99495 biolink:ChemicalSubstance LSM-10874 LINCS:LSM-10874 chebi.json http://purl.obolibrary.org/obo/CHEBI_99495 2_STAR CHEBI:99496 biolink:ChemicalSubstance 2-[(2S,4aR,12aR)-8-[[(2-chloroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide LINCS:LSM-10875 chebi.json http://purl.obolibrary.org/obo/CHEBI_99496 2_STAR CHEBI:99497 biolink:ChemicalSubstance N-[(2R,4aS,12aR)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide LINCS:LSM-10876 chebi.json http://purl.obolibrary.org/obo/CHEBI_99497 2_STAR CHEBI:99498 biolink:ChemicalSubstance (2R,3R,4R)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile LINCS:LSM-10877 chebi.json http://purl.obolibrary.org/obo/CHEBI_99498 2_STAR CHEBI:99499 biolink:ChemicalSubstance LSM-10878 LINCS:LSM-10878 chebi.json http://purl.obolibrary.org/obo/CHEBI_99499 2_STAR CHEBI:170670 biolink:ChemicalSubstance TG(14:0/18:1(11Z)/18:2(9Z,12Z)) HMDB:HMDB0042346|Chemspider:59651903 chebi.json [(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetradecanoyloxypropan-2-yl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170670 2_STAR CHEBI:170671 biolink:ChemicalSubstance PE(22:1(13Z)/16:1(9Z)) Chemspider:24768962|HMDB:HMDB0009518 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170671 2_STAR CHEBI:131020 biolink:ChemicalSubstance N-[(3R,9R,10R)-9-[[cyclohexylmethyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide LINCS:LSM-42568 chebi.json http://purl.obolibrary.org/obo/CHEBI_131020 2_STAR CHEBI:170672 biolink:ChemicalSubstance TG(14:0/16:1(9Z)/20:2n6) HMDB:HMDB0042318|Chemspider:59651876 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170672 2_STAR CHEBI:170684 biolink:ChemicalSubstance PE(16:1(9Z)/22:1(13Z)) HMDB:HMDB0008974|Chemspider:24768460 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170684 2_STAR CHEBI:145640 biolink:ChemicalSubstance beta-D-Glcp(1->2)-[beta-D-Glcp-(1->3)]-beta-D-Galp A trisaccharide that is beta-D-galactopyranose in which the hydroxy groups at positions 2 and 3 have each been converted into the corresponding beta-D-glucopyranoside. GlyTouCan:G87711HP|GlyGen:G87711HP chebi.json (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,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|beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-galactopyranose|Glc(b1-2)[Glc(b1-3)]b-Gal|WURCS=2.0/2,3,2/[a2112h-1b_1-5][a2122h-1b_1-5]/1-2-2/a2-b1_a3-c1 http://purl.obolibrary.org/obo/CHEBI_145640 3_STAR CHEBI:170685 biolink:ChemicalSubstance TG(14:0/18:2(9Z,12Z)/18:1(11Z)) Chemspider:59652069|HMDB:HMDB0042520 chebi.json [(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetradecanoyloxypropyl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170685 2_STAR CHEBI:145641 biolink:ChemicalSubstance beta-D-GalpNAc-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp An amino trisaccharide consisting of N-acetyl-beta-D-galactopyranosamine, beta-D-galactopyranose and beta-D-glucopyranose residues joined in sequence by (1->4) glycosidic bonds. KEGG:G00123|GlyTouCan:G90562PB|GlyGen:G90562PB|PMID:31537530 chebi.json 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose|beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc|N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactoyl-(1->4)-beta-D-glucose|WURCS=2.0/3,3,2/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3/a4-b1_b4-c1|GalNAc(b1-4)Gal(b1-4)b-Glc http://purl.obolibrary.org/obo/CHEBI_145641 3_STAR CHEBI:145642 biolink:ChemicalSubstance 6-PEA-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-alpha-D-Manp-(1->4)alpha-D-GlcpN An amino tetrasaccharide consisting of a 6-O-[(2-aminoethoxy)(hydroxy)phosphoryl-alpha-D-mannopyranosyl residue, two alpha-D-mannopyranosyl residues, and a 2-amino-alpha-D-glucose residue linked together in sequence by (1->2), (1->6) and (1->4) glycosidic bonds. GlyTouCan:G91079GH|GlyGen:G91079GH chebi.json [(2R,3S,4S,5S,6R)-6-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6S)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-aminoethyl hydrogen phosphate|WURCS=2.0/3,4,3/[a2122h-1a_1-5_2*N][a1122h-1a_1-5][a1122h-1a_1-5_6*OP^XOCCN/3O/3=O]/1-2-2-3/a4-b1_b6-c1_c2-d1|6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl-(1->4)-2-amino-2-deoxy-alpha-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_145642 3_STAR CHEBI:170686 biolink:ChemicalSubstance PE(16:0/22:2(13Z,16Z)) HMDB:HMDB0008942|LIPID_MAPS_instance:LMGP02010513|Chemspider:24768432 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170686 2_STAR CHEBI:145643 biolink:ChemicalSubstance beta-D-Xylp-(1->2)-beta-D-GlcpA A beta-D-Xylp-(1->2)-D-GlcpA in which the carbon bearing the anomeric hydroxy group has beta configuration. GlyTouCan:G91727DR|GlyGen:G91727DR chebi.json (2S,3S,4S,5R,6R)-3,4,6-trihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid|Xyl(b1-2)b-GlcA|WURCS=2.0/2,2,1/[a2122A-1b_1-5][a212h-1b_1-5]/1-2/a2-b1|2-O-beta-D-xylopyranosyl-beta-D-glucopyranuronic acid http://purl.obolibrary.org/obo/CHEBI_145643 3_STAR CHEBI:170687 biolink:ChemicalSubstance TG(14:0/18:0/18:3(6Z,9Z,12Z)) Chemspider:75320224|LIPID_MAPS_instance:LMGL03014343 chebi.json [(2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-tetradecanoyloxypropan-2-yl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170687 2_STAR CHEBI:145644 biolink:ChemicalSubstance alpha-D-Glcp-(1->3)-alpha-D-Glcp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc GlyGen:G98256YA|KEGG:G10599|GlyTouCan:G98256YA chebi.json WURCS=2.0/5,13,12/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1a_1-5]/1-2-3-4-4-4-5-5-4-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-i1_d2-e1_e2-f1_f3-g1_g3-h1_i3-j1_i6-l1_j2-k1_l2-m1|N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5R,6R)-4-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|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-glucopyranose|Glc(a1-3)Glc(a1-3)Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)a-GlcNAc http://purl.obolibrary.org/obo/CHEBI_145644 2_STAR CHEBI:170688 biolink:ChemicalSubstance PE(20:1(11Z)/18:1(9Z)) Chemspider:24768708|LIPID_MAPS_instance:LMGP02010853|HMDB:HMDB0009257 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170688 2_STAR CHEBI:145645 biolink:ChemicalSubstance alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-[alpha-Neu5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp GlyTouCan:G99524KA|KEGG:G00121|GlyGen:G99524KA chebi.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->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-glucopyranose|(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-4-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-6-[(1S,2R)-2-[(2S,4S,5R,6R)-5-acetamido-2-carboxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-2-carboxy-4-hydroxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid|WURCS=2.0/4,8,7/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-3-3-4-2-3/a4-b1_b3-c2_b4-f1_c8-d2_d8-e2_f3-g1_g3-h2|NeuAc(a2-8)NeuAc(a2-8)NeuAc(a2-3)[NeuAc(a2-3)Gal(b1-3)GalNAc(b1-4)]Gal(b1-4)b-Glc http://purl.obolibrary.org/obo/CHEBI_145645 2_STAR CHEBI:170689 biolink:ChemicalSubstance TG(18:2(9Z,12Z)/16:0/18:2(9Z,12Z)) HMDB:HMDB0052426|Chemspider:23255771 chebi.json [2-hexadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate http://purl.obolibrary.org/obo/CHEBI_170689 2_STAR CHEBI:145646 biolink:ChemicalSubstance beta-D-Glcp-(1->6)-beta-D-Glcp-(1->6)-beta-D-Glcp A glucotriose consisting of three molecules of beta-D-glucopyranose joined in a linear sequence by 1->6 glycosidic linkages. PMID:8839179|GlyGen:G87091WI|KEGG:G00305|PMID:24338885|PMID:19362709|GlyTouCan:G99739TG|PMID:29581147|GlyGen:G99739TG|GlyTouCan:G87091WI chebi.json (2R,3R,4S,5S,6R)-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl}oxan-2-yl]oxymethyl}oxane-2,3,4,5-tetrol|beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranose|gentiotriose|Glc(b1-6)Glc(b1-6)b-Glc|WURCS=2.0/1,3,2/[a2122h-1b_1-5]/1-1-1/a6-b1_b6-c1|beta-gentiotriose http://purl.obolibrary.org/obo/CHEBI_145646 3_STAR CHEBI:145647 biolink:ChemicalSubstance thymidine-cytidine dinucleotide(2-) residue MetaCyc:CPD-20737 chebi.json thymidine-cytidine dinucleotide residue http://purl.obolibrary.org/obo/CHEBI_145647 2_STAR CHEBI:106040 biolink:ChemicalSubstance 5-[[2-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxymethyl]-2-furancarboxylic acid methyl ester LINCS:LSM-17401 chebi.json http://purl.obolibrary.org/obo/CHEBI_106040 2_STAR CHEBI:106041 biolink:ChemicalSubstance 3-(2-furanylmethyl)-5-(2-methoxyethyl)-1,3,5-thiadiazinane-2-thione LINCS:LSM-17402 chebi.json http://purl.obolibrary.org/obo/CHEBI_106041 2_STAR CHEBI:106042 biolink:ChemicalSubstance 3-ethyl-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine LINCS:LSM-17403 chebi.json http://purl.obolibrary.org/obo/CHEBI_106042 2_STAR CHEBI:106032 biolink:ChemicalSubstance 2-[5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-2-phenylacetic acid LINCS:LSM-17393 chebi.json http://purl.obolibrary.org/obo/CHEBI_106032 2_STAR CHEBI:106033 biolink:ChemicalSubstance (5-hydroxy-2-phenyl-3-benzofuranyl)-(4-morpholinyl)methanone LINCS:LSM-17394 chebi.json http://purl.obolibrary.org/obo/CHEBI_106033 2_STAR CHEBI:106034 biolink:ChemicalSubstance 3-phenyl-1H-cinnolin-4-one LINCS:LSM-17395 chebi.json http://purl.obolibrary.org/obo/CHEBI_106034 2_STAR CHEBI:106035 biolink:ChemicalSubstance (6R)-6-(4-bromophenyl)-3-(2-furanylmethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester LINCS:LSM-17396 chebi.json http://purl.obolibrary.org/obo/CHEBI_106035 2_STAR CHEBI:106036 biolink:ChemicalSubstance 2-(2,3-dichlorophenoxy)-N-(2,3-dihydro-1H-inden-5-yl)acetamide LINCS:LSM-17397 chebi.json http://purl.obolibrary.org/obo/CHEBI_106036 2_STAR CHEBI:106037 biolink:ChemicalSubstance N-[1-(5,6-dicyano-3-methyl-2-pyrazinyl)ethyl]-N-phenylacetamide LINCS:LSM-17398 chebi.json http://purl.obolibrary.org/obo/CHEBI_106037 2_STAR CHEBI:106038 biolink:ChemicalSubstance 3-(difluoromethoxy)-N-(4,5-dihydrothiazol-2-yl)benzamide LINCS:LSM-17399 chebi.json http://purl.obolibrary.org/obo/CHEBI_106038 2_STAR CHEBI:106039 biolink:ChemicalSubstance 7-hydroxy-6-(4-morpholinylmethyl)-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one LINCS:LSM-17400 chebi.json http://purl.obolibrary.org/obo/CHEBI_106039 2_STAR CHEBI:145648 biolink:ChemicalSubstance cytidine-thymidine dinucleotide(2-) residue chebi.json cytidine-thymidine dinucleotide residue http://purl.obolibrary.org/obo/CHEBI_145648 2_STAR CHEBI:145649 biolink:ChemicalSubstance cytidine dimer(2-) residue MetaCyc:CPD-20735 chebi.json cytidine dimer residue http://purl.obolibrary.org/obo/CHEBI_145649 2_STAR CHEBI:170680 biolink:ChemicalSubstance TG(14:0/20:2n6/16:1(9Z)) Chemspider:59652126|HMDB:HMDB0042579 chebi.json [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170680 2_STAR CHEBI:170681 biolink:ChemicalSubstance TG(14:0/18:3(6Z,9Z,12Z)/18:0) HMDB:HMDB0042544|Chemspider:59652092 chebi.json [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-tetradecanoyloxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170681 2_STAR CHEBI:170682 biolink:ChemicalSubstance PE(18:1(11Z)/20:1(11Z)) HMDB:HMDB0009032|Chemspider:24768505 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170682 2_STAR CHEBI:170683 biolink:ChemicalSubstance TG(14:0/18:2(9Z,12Z)/18:1(9Z)) Chemspider:59652070|HMDB:HMDB0042521 chebi.json [(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-tetradecanoyloxypropyl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170683 2_STAR CHEBI:170695 biolink:ChemicalSubstance TG(20:1(11Z)/14:0/18:3(9Z,12Z,15Z)) HMDB:HMDB0050312|Chemspider:59660257 chebi.json [(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-tetradecanoyloxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170695 2_STAR CHEBI:170696 biolink:ChemicalSubstance PC(15:0/20:2(11Z,14Z)) Chemspider:24766621|LIPID_MAPS_instance:LMGP01011422|HMDB:HMDB0007946 chebi.json [(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170696 2_STAR CHEBI:145630 biolink:ChemicalSubstance CID 91859537 A polysaccharide consisting of alpha-D-Glcp-(1->2)-alpha-D-Glcp-(1->3)-alpha-D-Glcp-(1->3)-alpha-D-Manp-(1->2)-beta-D-Manp-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc in which the beta-D-Manp- residue attached to the beta-D-Glcp residue is glycosylated at position 6 by an alpha-D-mannopyranosyl group, which in turn is substituted at positions 3 and 6 by 2-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl groups. GlyTouCan:G72079JG|KEGG:G00008|GlyGen:G72079JG chebi.json 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-glucopyranose|WURCS=2.0/5,14,13/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1a_1-5]/1-2-3-4-4-4-5-5-5-4-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_e2-f1_f3-g1_g3-h1_h2-i1_j3-k1_j6-m1_k2-l1_m2-n1|Glc(a1-2)Glc(a1-3)Glc(a1-3)Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)a-GlcNAc http://purl.obolibrary.org/obo/CHEBI_145630 3_STAR CHEBI:170697 biolink:ChemicalSubstance TG(20:1(11Z)/14:0/18:3(6Z,9Z,12Z)) Chemspider:59660250|HMDB:HMDB0050305 chebi.json [(2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-tetradecanoyloxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170697 2_STAR CHEBI:145631 biolink:ChemicalSubstance alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc A high-mannose oligosaccharide and an amino nonasaccharide that is alpha-D-Manp-(1->3)-alpha-D-Manp-(1->6)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc in which position 2 of the alpha-D-mannopyranosyl group at the end of the shortest branch from the chitobiose moiety has been converted to the corresponding alpha-D-mannopyranoside. GlyTouCan:G72103RY|GlyGen:G72103RY|KEGG:G10596 chebi.json 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-glucopyranose|Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)a-GlcNAc|N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|WURCS=2.0/4,9,8/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1_g3-h1_h2-i1 http://purl.obolibrary.org/obo/CHEBI_145631 3_STAR CHEBI:170698 biolink:ChemicalSubstance PS(22:4(7Z,10Z,13Z,16Z)/16:0) LIPID_MAPS_instance:LMGP03010793|Chemspider:74876234|HMDB:HMDB0112791 chebi.json (2S)-2-amino-3-[[(2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-2-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170698 2_STAR CHEBI:145632 biolink:ChemicalSubstance beta-D-Glcp-(1->3)-beta-D-Xylp A glycosylxylose that is beta-D-xylopyranose in which the hydroxy group at position 3 has been converted into the corresponding beta-D-glucopyranoside. GlyTouCan:G74351TO|GlyGen:G74351TO chebi.json Glc(b1-3)b-Xyl|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5R)-2,3,5-trihydroxyoxan-4-yl]oxyoxane-3,4,5-triol|WURCS=2.0/2,2,1/[a212h-1b_1-5][a2122h-1b_1-5]/1-2/a3-b1|3-O-beta-D-glucopyranosyl-beta-D-xylopyranose http://purl.obolibrary.org/obo/CHEBI_145632 3_STAR CHEBI:51499 biolink:ChemicalSubstance diphenylzinc CAS:1078-58-6|CAS:1078-58-6|Beilstein:3603125|Gmelin:28161 chebi.json ZnPh2|Diphenylzink|diphenylzinc http://purl.obolibrary.org/obo/CHEBI_51499 3_STAR CHEBI:170699 biolink:ChemicalSubstance TG(18:1(9Z)/16:1(9Z)/18:2(9Z,12Z)) HMDB:HMDB0049866|Chemspider:59659853 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170699 2_STAR CHEBI:145633 biolink:ChemicalSubstance beta-D-Glcp-(1->2)-beta-D-Glcp-(1->2)-beta-D-Glcp A glucotriose consisting of three molecules of beta-D-glucopyranose joined in a linear sequence by 1->2 glycosidic linkages. GlyGen:G74665DT|GlyTouCan:G74665DT chebi.json beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranose|Glc(b1-2)Glc(b1-2)b-Glc|WURCS=2.0/1,3,2/[a2122h-1b_1-5]/1-1-1/a2-b1_b2-c1|(2R,3R,4S,5S,6R)-3-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol http://purl.obolibrary.org/obo/CHEBI_145633 3_STAR CHEBI:145634 biolink:ChemicalSubstance alpha-L-Arap-(1->6)-beta-D-Glcp A disaccharide that is beta-D-glucopyranose in which the hydroxy group at position 6 has been converted into the corresponding alpha-L-arabinopyranoside. GlyTouCan:G74740WV|GlyGen:G74740WV chebi.json (2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol|WURCS=2.0/2,2,1/[a2122h-1b_1-5][a211h-1a_1-5]/1-2/a6-b1|Ara(a1-6)b-Glc|6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_145634 3_STAR CHEBI:145635 biolink:ChemicalSubstance alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-alpha-D-GalpNAc-(1->3)-alpha-D-GalpNAc A tetrasaccharide derivative consisting of alpha-L-fucose, beta-D-galactose and two N-acetyl-alpha-D-galactosamine residues joined in sequence by (1->2), (1->3) and (1->3) glycosidic bonds. GlyTouCan:G74960IM|GlyGen:G74960IM chebi.json WURCS=2.0/3,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3/a3-b1_b3-c1_c2-d1|6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galactopyranose|N-[(2S,3R,4R,5R,6R)-4-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|Fuc(a1-2)Gal(b1-3)GalNAc(a1-3)a-GalNAc http://purl.obolibrary.org/obo/CHEBI_145635 3_STAR CHEBI:145636 biolink:ChemicalSubstance beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp An amino octasaccharide consisting of four beta-D-galactopyranosyl-(1->4)-beta-D-N-acetylglucosamine disaccharides linked together by (1->3) glycosidic linkage, but with beta-D-glucopyranose replacing beta-D-N-acetylglucosamine as the terminal monosaccharide. GlyGen:G77285LE|KEGG:G00069|GlyTouCan:G77285LE chebi.json WURCS=2.0/3,8,7/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2-3-2/a4-b1_b3-c1_c4-d1_d3-e1_e4-f1_f3-g1_g4-h1|beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose|N-[(2S,3R,4R,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide|Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)b-Glc http://purl.obolibrary.org/obo/CHEBI_145636 3_STAR CHEBI:131007 biolink:ChemicalSubstance (6R,7R,8S)-7-(4-bromophenyl)-4-[cyclobutyl(oxo)methyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one LINCS:LSM-42555 chebi.json http://purl.obolibrary.org/obo/CHEBI_131007 2_STAR CHEBI:131008 biolink:ChemicalSubstance LSM-42556 LINCS:LSM-42556 chebi.json http://purl.obolibrary.org/obo/CHEBI_131008 2_STAR CHEBI:131009 biolink:ChemicalSubstance [(1S,2aR,8bR)-2-(cyclopentylmethyl)-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-(2-pyrazinyl)methanone LINCS:LSM-42557 chebi.json http://purl.obolibrary.org/obo/CHEBI_131009 2_STAR CHEBI:106030 biolink:ChemicalSubstance 2-(4-methyl-1-oxo-2-phthalazinyl)-N-(4-methylphenyl)acetamide LINCS:LSM-17391 chebi.json http://purl.obolibrary.org/obo/CHEBI_106030 2_STAR CHEBI:106031 biolink:ChemicalSubstance 4-amino-5,8-dimethoxy-2-(1,1,2,2,2-pentafluoroethyl)-3-quinolinecarbonitrile LINCS:LSM-17392 chebi.json http://purl.obolibrary.org/obo/CHEBI_106031 2_STAR CHEBI:106021 biolink:ChemicalSubstance 3-[[(1,3-dimethyl-4-pyrazolyl)methyl-methylamino]methyl]-N-methyl-N-(phenylmethyl)-2-imidazo[1,2-a]pyridinecarboxamide LINCS:LSM-17382 chebi.json http://purl.obolibrary.org/obo/CHEBI_106021 2_STAR CHEBI:106022 biolink:ChemicalSubstance 1-ethyl-3-(2-furanylmethylideneamino)thiourea LINCS:LSM-17383 chebi.json http://purl.obolibrary.org/obo/CHEBI_106022 2_STAR CHEBI:131000 biolink:ChemicalSubstance LSM-42548 LINCS:LSM-42548 chebi.json http://purl.obolibrary.org/obo/CHEBI_131000 2_STAR CHEBI:106023 biolink:ChemicalSubstance N-phenyl-2-benzo[g][1]benzothiolecarboxamide LINCS:LSM-17384 chebi.json http://purl.obolibrary.org/obo/CHEBI_106023 2_STAR CHEBI:131001 biolink:ChemicalSubstance (8R,9R,10R)-9-[4-(2-fluorophenyl)phenyl]-10-(hydroxymethyl)-N-(4-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide LINCS:LSM-42549 chebi.json http://purl.obolibrary.org/obo/CHEBI_131001 2_STAR CHEBI:51490 biolink:ChemicalSubstance phenylmagnesium chloride Gmelin:3047|Beilstein:3539734|CAS:100-59-4 chebi.json chloro(phenyl)magnesium|chlorophenylmagnesium http://purl.obolibrary.org/obo/CHEBI_51490 3_STAR CHEBI:131002 biolink:ChemicalSubstance N-[[(2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(3-pyridinylmethyl)-2-azetidinyl]methyl]-N-methylpropanamide LINCS:LSM-42550 chebi.json http://purl.obolibrary.org/obo/CHEBI_131002 2_STAR CHEBI:106024 biolink:ChemicalSubstance 6-methyl-2-(trifluoromethyl)-3,5-dihydroimidazo[4,5-f]benzimidazole LINCS:LSM-17385 chebi.json http://purl.obolibrary.org/obo/CHEBI_106024 2_STAR CHEBI:106025 biolink:ChemicalSubstance 1-methoxy-N-[4-(pyridin-4-ylmethyl)phenyl]-2-naphthalenecarboxamide LINCS:LSM-17386 chebi.json http://purl.obolibrary.org/obo/CHEBI_106025 2_STAR CHEBI:131003 biolink:ChemicalSubstance N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide LINCS:LSM-42551 chebi.json http://purl.obolibrary.org/obo/CHEBI_131003 2_STAR CHEBI:131004 biolink:ChemicalSubstance N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-(1-methyl-3-indolyl)acetamide LINCS:LSM-42552 chebi.json http://purl.obolibrary.org/obo/CHEBI_131004 2_STAR CHEBI:106026 biolink:ChemicalSubstance 3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester LINCS:LSM-17387 chebi.json http://purl.obolibrary.org/obo/CHEBI_106026 2_STAR CHEBI:106027 biolink:ChemicalSubstance 2-[2-(3-ethylphenoxy)ethyl]propanedioic acid diethyl ester LINCS:LSM-17388 chebi.json http://purl.obolibrary.org/obo/CHEBI_106027 2_STAR CHEBI:131005 biolink:ChemicalSubstance (2S,3R)-2-(hydroxymethyl)-3-phenyl-N-propyl-1-(2-pyridinylmethyl)-1,6-diazaspiro[3.3]heptane-6-carboxamide LINCS:LSM-42553 chebi.json http://purl.obolibrary.org/obo/CHEBI_131005 2_STAR CHEBI:106028 biolink:ChemicalSubstance N-[[2-[cyclohexyl(methyl)amino]-5-nitrophenyl]methylideneamino]-2-phenoxyacetamide LINCS:LSM-17389 chebi.json http://purl.obolibrary.org/obo/CHEBI_106028 2_STAR CHEBI:131006 biolink:ChemicalSubstance N-[(3S,9S,10S)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-fluorobenzenesulfonamide LINCS:LSM-42554 chebi.json http://purl.obolibrary.org/obo/CHEBI_131006 2_STAR CHEBI:106029 biolink:ChemicalSubstance 2-(4-bromophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine LINCS:LSM-17390 chebi.json http://purl.obolibrary.org/obo/CHEBI_106029 2_STAR CHEBI:51495 biolink:ChemicalSubstance dialkylzinc compound An organozinc compound where the zinc atom is bound to two alkyl groups. chebi.json dialkylzinc compounds http://purl.obolibrary.org/obo/CHEBI_51495 3_STAR CHEBI:145637 biolink:ChemicalSubstance beta-D-Galp-(1->4)-beta-D-Xylp A glycosylxylose that is beta-D-xylopyranose in which the hydroxy group at position 4 has been converted into the corresponding beta-D-galactopyranoside. FooDB:FDB028365|HMDB:HMDB0011677|GlyTouCan:G78098IA|GlyGen:G78098IA chebi.json WURCS=2.0/2,2,1/[a212h-1b_1-5][a2112h-1b_1-5]/1-2/a4-b1|Gal(b1-4)b-Xyl|galactose-beta-1,4-xylose http://purl.obolibrary.org/obo/CHEBI_145637 3_STAR CHEBI:145638 biolink:ChemicalSubstance beta-D-Glcp-(1->3)-alpha-L-Arap A glycosylarabinose that is alpha-L-arabinopyranose in which the hydroxy group at position 3 has been converted into the corresponding beta-D-glucopyranoside. GlyGen:G80637HO|GlyTouCan:G80637HO chebi.json 3-O-beta-D-glucopyranosyl-alpha-L-arabinopyranose|Glc(b1-3)a-Ara|WURCS=2.0/2,2,1/[a211h-1a_1-5][a2122h-1b_1-5]/1-2/a3-b1|(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,3,5-trihydroxyoxan-4-yl]oxyoxane-3,4,5-triol http://purl.obolibrary.org/obo/CHEBI_145638 3_STAR CHEBI:51496 biolink:ChemicalSubstance diethylzinc CAS:557-20-0|Beilstein:3587207|CAS:557-20-0|Gmelin:2178 chebi.json zinc ethide|(C2H5)2Zn|diethyl zinc|zinc ethyl|zinc diethyl|Diethylzink|ZnEt2|diethylzinc|Zinkdiethyl|DEZ http://purl.obolibrary.org/obo/CHEBI_51496 3_STAR CHEBI:145639 biolink:ChemicalSubstance 6-deoxy-beta-D-gulopyranose A deosygulose that is beta-D-gulopyranose in which the hydroxy group at position 6 has been replaced by a hydrogen. GlyGen:G83797YW|PMID:16303157|GlyTouCan:G83797YW chebi.json WURCS=2.0/1,1,0/[a2212m-1b_1-5]/1/|6-deoxy-b-Gul|(2R,3R,4R,5R,6R)-6-methyloxane-2,3,4,5-tetrol|6-deoxy-beta-D-gulopyranose http://purl.obolibrary.org/obo/CHEBI_145639 3_STAR CHEBI:51497 biolink:ChemicalSubstance dimethylzinc CAS:544-97-8|Beilstein:3587195|Gmelin:25090|CAS:544-97-8 chebi.json ZnMe2|Dimethylzink|(CH3)2Zn|dimethylzinc|methylzinc|dimethyl zinc http://purl.obolibrary.org/obo/CHEBI_51497 3_STAR CHEBI:170690 biolink:ChemicalSubstance PE(20:1(11Z)/18:1(11Z)) HMDB:HMDB0009256|Chemspider:24768707 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170690 2_STAR CHEBI:51498 biolink:ChemicalSubstance (CS)2Ir(mu-Cl)2Ir(CS)2 mu-chloro-bridged dimer of iridium(III) bis [3-(benzothiazol-2-yl)-7-(diethylamino)coumarin)] chebi.json tetrakis[3-(1,3-benzothiazol-2-yl-kappaN)-7-(dimethylamino)-2-oxo-2H-chromen-4-yl-kappaC(4)](di-mu-chloro)diiridium|tetrakis[3-(1,3-benzothiazol-2-yl-kappaN)-7-(dimethylamino)-2-oxo-2H-chromen-4-yl-kappaC(4)](di-mu-chloro)diiridium(III) http://purl.obolibrary.org/obo/CHEBI_51498 3_STAR CHEBI:170691 biolink:ChemicalSubstance TG(18:2(9Z,12Z)/14:0/20:2n6) HMDB:HMDB0052398|Chemspider:59661210 chebi.json [(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-tetradecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170691 2_STAR CHEBI:51491 biolink:ChemicalSubstance cascade yellow chebi.json 5-{2-[1-(3-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}benzyl)pyridinium-4-yl]-1,3-oxazol-5-yl}-2-methoxybenzenesulfonate http://purl.obolibrary.org/obo/CHEBI_51491 3_STAR CHEBI:170692 biolink:ChemicalSubstance PE(14:1(9Z)/24:1(15Z)) Chemspider:24768387|HMDB:HMDB0008882 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-tetracos-15-enoate http://purl.obolibrary.org/obo/CHEBI_170692 2_STAR CHEBI:51492 biolink:ChemicalSubstance methylmagnesium chloride CAS:676-58-4|Gmelin:973|Beilstein:3587199 chebi.json chloromethylmagnesium|chloro(methyl)magnesium http://purl.obolibrary.org/obo/CHEBI_51492 3_STAR CHEBI:170693 biolink:ChemicalSubstance TG(20:1(11Z)/14:1(9Z)/18:2(9Z,12Z)) HMDB:HMDB0050437|Chemspider:59660372 chebi.json [(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170693 2_STAR CHEBI:51493 biolink:ChemicalSubstance organorhodium compound A compound containing at least one carbon-rhodium bond. chebi.json organorhodium compounds http://purl.obolibrary.org/obo/CHEBI_51493 3_STAR CHEBI:170694 biolink:ChemicalSubstance PC(20:2(11Z,14Z)/15:0) Chemspider:24766991|LIPID_MAPS_instance:LMGP01011839|HMDB:HMDB0008330 chebi.json [(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170694 2_STAR CHEBI:51494 biolink:ChemicalSubstance organozinc compound A compound containing at least one carbon-zinc bond. chebi.json organozinc compounds http://purl.obolibrary.org/obo/CHEBI_51494 3_STAR CHEBI:145620 biolink:ChemicalSubstance beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-[-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)]-beta-D-Galp-(1->4)-beta-D-Glcp A member of the class of neuraminic acids that is neuraminic acid attached in sequence to beta-D-galactopyranosyl, 2-acetamido-2-deoxy-beta-D-glucopyranosyl, beta-D-galactopyranosyl, and beta-D-glucopyranosyl, residues by (2->3), (1->3), (1->3) and (1->4) glycosidic linkages. The galactosyl residue attached to the neuraminic acid is glycosylated at position 4 by a beta-D-acetamidogalactosyl residue, while the other galactosiyl residue has been glycosylated at position 4 by a beta-D-galactopyranosyl-(1->3)-2-acetamido-beta-D-galactopyranosyl residue. GlyTouCan:G54511PJ|KEGG:G04305|GlyGen:G54511PJ chebi.json NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-3)GlcNAc(b1-3)[Gal(b1-3)GalNAc(b1-4)]Gal(b1-4)b-Glc|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->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose|(2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid|WURCS=2.0/5,8,7/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-2-4-5-5-2/a4-b1_b3-c1_b4-g1_c3-d1_d3-e2_d4-f1_g3-h1 http://purl.obolibrary.org/obo/CHEBI_145620 3_STAR CHEBI:145621 biolink:ChemicalSubstance alpha-D-Manp-(1->6)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc A high-mannose oligosaccharide that is alpha-D-Manp-(1->6)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-2-D-GlcpNAc inomeric hydroxy group of the terminal N-acetamidoglucose residue has alpha configuration. GlyGen:G59406KS|KEGG:G00006|GlyTouCan:G59406KS chebi.json N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|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-glucopyranose|Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)a-GlcNAc|WURCS=2.0/4,7,6/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1 http://purl.obolibrary.org/obo/CHEBI_145621 3_STAR CHEBI:145622 biolink:ChemicalSubstance beta-D-Glcp-(1->2)-alpha-L-Arap A disaccharide that is alpha-D-arabinopyranose in which the hydroxy group at position 2 has been converted into the corresponding beta-D-glucoside. GlyTouCan:G60200IZ|GlyGen:G60200IZ chebi.json (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S)-2,4,5-trihydroxyoxan-3-yl]oxyoxane-3,4,5-triol|2-O-beta-D-glucopyranosyl-alpha-L-arabinopyranose|WURCS=2.0/2,2,1/[a211h-1a_1-5][a2122h-1b_1-5]/1-2/a2-b1|Glc(b1-2)a-Ara http://purl.obolibrary.org/obo/CHEBI_145622 3_STAR CHEBI:51488 biolink:ChemicalSubstance arylmagnesium halide An organomagnesium halide where the organyl group is an aryl group. chebi.json arylmagnesium halides http://purl.obolibrary.org/obo/CHEBI_51488 3_STAR CHEBI:145623 biolink:ChemicalSubstance beta-D-Glcp-(1->4)-beta-D-Glcp-(1->6)-beta-D-Glcp A glucotriose consisting of three molecules of beta-D-glucopyranose joined in a linear sequence by (1->4) and (1->6) glycosidic linkages. GlyGen:G61328AC|GlyTouCan:G61328AC chebi.json Glc(b1-4)Glc(b1-6)b-Glc|WURCS=2.0/1,3,2/[a2122h-1b_1-5]/1-1-1/a6-b1_b4-c1|(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-Dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol|beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_145623 3_STAR CHEBI:145624 biolink:ChemicalSubstance beta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-beta-D-GlcpNAc A beta-D-GlcpNAc-(1->4)-beta-D-GlcpA-(1->3)-D-GlcpNAc in which the carbon bearing the anomeric hydroxy group has beta configuration. GlyGen:G63629SO|GlyTouCan:G63629SO chebi.json WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2122A-1b_1-5]/1-2-1/a3-b1_b4-c1|2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranose|GlcNAc(b1-4)GlcA(b1-3)b-GlcNAc|(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_145624 3_STAR CHEBI:145625 biolink:ChemicalSubstance beta-D-GalpNAc-(1->4)-[beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)]-beta-D-Galp-(1->4)-beta-D-Glcp A member of the class of neuraminic acids that is neuraminic acid attached in sequence to beta-D-galactopyranosyl, 2-acetamido-2-deoxy-beta-D-glucopyranosyl, beta-D-galactopyranosyl, and beta-D-glucopyranosyl, residues by (2->3), (1->3), (1->3) and (1->4) glycosidic linkages. The galactosyl residue attached to the neuraminic acid is glycosylated at position 4 by a beta-D-acetamidogalactosyl residue, while the other galactosyl residue has been glycosylated at position 4 by a 2-acetamido-beta-D-galactopyranosyl residue. GlyTouCan:G64919UI|GlyGen:G64919UI|KEGG:G04610 chebi.json (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid|2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose|WURCS=2.0/5,7,6/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-2-4-5-5/a4-b1_b3-c1_b4-g1_c3-d1_d3-e2_d4-f1|NeuAc(a2-3)[GalNAc(b1-4)]Gal(b1-3)GlcNAc(b1-3)[GalNAc(b1-4)]Gal(b1-4)b-Glc http://purl.obolibrary.org/obo/CHEBI_145625 3_STAR CHEBI:106060 biolink:ChemicalSubstance N-(3-methoxyphenyl)-2-(1-methyl-3-indolyl)acetamide LINCS:LSM-17421 chebi.json http://purl.obolibrary.org/obo/CHEBI_106060 2_STAR CHEBI:106061 biolink:ChemicalSubstance 3-(5-chloro-1,3-benzoxazol-2-yl)-N-(phenylmethyl)-2-pyridinamine LINCS:LSM-17422 chebi.json http://purl.obolibrary.org/obo/CHEBI_106061 2_STAR CHEBI:106062 biolink:ChemicalSubstance [3-(2-hydroxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone LINCS:LSM-17423 chebi.json http://purl.obolibrary.org/obo/CHEBI_106062 2_STAR CHEBI:106063 biolink:ChemicalSubstance LSM-17424 LINCS:LSM-17424 chebi.json http://purl.obolibrary.org/obo/CHEBI_106063 2_STAR CHEBI:106064 biolink:ChemicalSubstance 3-[[(3,5-dichloro-4-ethoxyphenyl)-oxomethyl]amino]benzoic acid LINCS:LSM-17425 chebi.json http://purl.obolibrary.org/obo/CHEBI_106064 2_STAR CHEBI:106054 biolink:ChemicalSubstance 5-oxido-11H-benzo[c][1,2]benzodiazepin-5-ium-3,8-diamine LINCS:LSM-17415 chebi.json http://purl.obolibrary.org/obo/CHEBI_106054 2_STAR CHEBI:106055 biolink:ChemicalSubstance 4-amino-3-(2-furanyl)-1H-1,2,4-triazole-5-thione LINCS:LSM-17416 chebi.json http://purl.obolibrary.org/obo/CHEBI_106055 2_STAR CHEBI:106056 biolink:ChemicalSubstance 2-anilino-5-[(1-methyl-2-pyrrolyl)methylidene]-4-thiazolone LINCS:LSM-17417 chebi.json http://purl.obolibrary.org/obo/CHEBI_106056 2_STAR CHEBI:106057 biolink:ChemicalSubstance 5,7-dimethyl-N-phenyl-2-pyrazolo[1,5-a]pyrimidinamine LINCS:LSM-17418 chebi.json http://purl.obolibrary.org/obo/CHEBI_106057 2_STAR CHEBI:106058 biolink:ChemicalSubstance N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-2-(2-methylphenoxy)-N-(2-methylpropyl)acetamide LINCS:LSM-17419 chebi.json http://purl.obolibrary.org/obo/CHEBI_106058 2_STAR CHEBI:106059 biolink:ChemicalSubstance 5,6-dimethyl-N-(thiophen-2-ylmethyl)-4-thieno[2,3-d]pyrimidinamine LINCS:LSM-17420 chebi.json http://purl.obolibrary.org/obo/CHEBI_106059 2_STAR CHEBI:51484 biolink:ChemicalSubstance Alexa Fluor 430 chebi.json N,N-diethylethanaminium [9-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-8,8-dimethyl-2-oxo-4-(trifluoromethyl)-8,9-dihydro-2H-benzo[g]chromen-6-yl]methanesulfonate|Alexa Fluor 430 carboxylic acid, succinimidyl ester http://purl.obolibrary.org/obo/CHEBI_51484 3_STAR CHEBI:145626 biolink:ChemicalSubstance beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc An amino trisaccharide consisting of beta-D-mannose, beta-D-2-acetamido-2-deoxyglucose and alpha-D-2-acetamido-2-deoxyglucose residues joined by sequential (1->4)-linkages. GlyTouCan:G65996GC|GlyGen:G65996GC|KEGG:G12381 chebi.json beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranose|N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|WURCS=2.0/3,3,2/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-2-3/a4-b1_b4-c1|Man(b1-4)GlcNAc(b1-4)a-GlcNAc http://purl.obolibrary.org/obo/CHEBI_145626 3_STAR CHEBI:51485 biolink:ChemicalSubstance isopropenyllithium Gmelin:163996|Beilstein:1098288 chebi.json (1-methylethenyl)lithium|prop-1-en-2-yllithium http://purl.obolibrary.org/obo/CHEBI_51485 3_STAR CHEBI:145627 biolink:ChemicalSubstance beta-D-Glcp-(1->3)-alpha-D-GlcpNAc An amino disaccharide that is an N-acetyl-alpha-D-glucosamine in which the hydroxy group at position 3 has been converted into the corresponding beta-D-glucopyranoside. GlyTouCan:G67600YJ|GlyGen:G67600YJ chebi.json N-[(2S,3R,4R,5S,6R)-2,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide|WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5]/1-2/a3-b1|2-acetamido-2-deoxy-3-O-beta-D-glucopyranosyl-alpha-D-glucopyranose|Glc(b1-3)a-GlcNAc http://purl.obolibrary.org/obo/CHEBI_145627 3_STAR CHEBI:51486 biolink:ChemicalSubstance methyllithium CAS:917-54-4|Beilstein:3587162|Gmelin:288|CAS:917-54-4 chebi.json methyllithium|LiMe http://purl.obolibrary.org/obo/CHEBI_51486 3_STAR CHEBI:145628 biolink:ChemicalSubstance 6-deoxy-beta-D-allopyranose A deoxyallose that is beta-D-allopyranose in which the hydroxy group at position 6 has been replaced by a hydrogen. GlyTouCan:G70332TM|GlyGen:G70332TM chebi.json (2R,3R,4R,5S,6R)-6-methyloxane-2,3,4,5-tetrol|6-deoxy-beta-D-allopyranose|WURCS=2.0/1,1,0/[a2222m-1b_1-5]/1/|6-deoxy-b-All http://purl.obolibrary.org/obo/CHEBI_145628 3_STAR CHEBI:145629 biolink:ChemicalSubstance sambubiose A disaccharide consisting of beta-D-xylose and beta-D-glucose linked via a 1->2 glycosidic bond. PMID:16177206|FooDB:FDB001118|PMID:30145754|PMID:16417325|PMID:21924428|PMID:16939355|PMID:15826066|GlyTouCan:G71587NH|HMDB:HMDB0029883|Wikipedia:Sambubiose|GlyGen:G71587NH|PMID:16777160 chebi.json (2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2,4,5-triol|beta-D-Xylp-(1->2)beta-D-Glcp|WURCS=2.0/2,2,1/[a2122h-1b_1-5][a212h-1b_1-5]/1-2/a2-b1|Xyl(b1-2)b-Glc|2-O-beta-D-xylopyranosyl-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_145629 3_STAR CHEBI:51487 biolink:ChemicalSubstance alkylmagnesium halide An organomagnesium halide where the organyl group is an alkyl group. chebi.json alkylmagnesium halides http://purl.obolibrary.org/obo/CHEBI_51487 3_STAR CHEBI:51480 biolink:ChemicalSubstance (5S)-albaflavenol KEGG:C17953 chebi.json (1R,2S,4S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-ol|(5S)-albaflavenol|(+)-(5S)-epi-isozizaen-5-ol|(1S,3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-ol|(5S)-albaflavenol http://purl.obolibrary.org/obo/CHEBI_51480 3_STAR CHEBI:51481 biolink:ChemicalSubstance ethynyllithium An alkynyllithium compound resulting from the replacement of one of the hydrogens of acetylene by lithium. CAS:1111-64-4|Beilstein:969178|Reaxys:969178|Gmelin:141244 chebi.json lithium hydrogenacetylide|lithium acetylenide|ethynyllithium http://purl.obolibrary.org/obo/CHEBI_51481 3_STAR CHEBI:51482 biolink:ChemicalSubstance trifluorovinyllithium Beilstein:4125051|Gmelin:130655 chebi.json (trifluoroethenyl)lithium http://purl.obolibrary.org/obo/CHEBI_51482 3_STAR CHEBI:51483 biolink:ChemicalSubstance (1-fluorovinyl)lithium Beilstein:4123679 chebi.json (1-fluoroethenyl)lithium http://purl.obolibrary.org/obo/CHEBI_51483 3_STAR CHEBI:145610 biolink:ChemicalSubstance alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc An amino pentasaccharide that is beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-beta-D-GlcpNAc in which the mannosyl group has been glycosylated by alpha-D-mannopyranosyl groups at positions 3 and 6. GlyTouCan:G43547MI|GlyGen:G43547MI chebi.json alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranose|N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|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-glucopyranose|Man(a1-3)[Man(a1-6)]Man(b1-4)GlcNAc(b1-4)a-GlcNAc|WURCS=2.0/4,5,4/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4/a4-b1_b4-c1_c3-d1_c6-e1 http://purl.obolibrary.org/obo/CHEBI_145610 3_STAR CHEBI:145612 biolink:ChemicalSubstance alpha-D-Manp-(1->3)-alpha-D-Manp-(1->6)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc A high-mannose oligosaccharide that is beta-D-mannopyranose in which the hydrogens of hydroxy groups are replaced by a 3-O-alpha-D-mannopyranosyl-alpha-D-mannopyranosyl group at position 6, a alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl group at position 3, and a chitobiose group at position 1. KEGG:G10595|GlyTouCan:G44865OQ|GlyGen:G44865OQ chebi.json 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-glucopyranose|Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-3)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)a-GlcNAc|N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|WURCS=2.0/4,8,7/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1_g3-h1 http://purl.obolibrary.org/obo/CHEBI_145612 3_STAR CHEBI:51478 biolink:ChemicalSubstance albaflavenol chebi.json (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-ol|(+)-epi-isozizaen-5-ol|(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-ol http://purl.obolibrary.org/obo/CHEBI_51478 3_STAR CHEBI:51479 biolink:ChemicalSubstance (5R)-albaflavenol KEGG:C17955 chebi.json (1R,3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-ol|(5R)-albaflavenol|(5R)-albaflavenol|(+)-(5R)-epi-isozizaen-5-ol|(1R,2S,4R,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-ol http://purl.obolibrary.org/obo/CHEBI_51479 3_STAR CHEBI:145613 biolink:ChemicalSubstance alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp A branched amino nonasaccharide comprising a linear heptasaccharide chain consisting of N-acetylalpha-neuraminic acid, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, and beta-D-glucose residues, linked sequentially (2->3), (1->4), (1->3), (1->4), (1->3), and (1->4), with alpha-L-fucosyl residues linked (1->3) to each of the N-acetyl-D-glucosamine residues. GlyTouCan:G45215IJ|GlyGen:G45215IJ|KEGG:G00195 chebi.json 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose|(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid|NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)b-Glc|WURCS=2.0/5,9,8/[a2122h-1b_1-5][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-3-4-2-5/a4-b1_b3-c1_c3-d1_c4-e1_e3-f1_f3-g1_f4-h1_h3-i2|5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_145613 3_STAR CHEBI:145614 biolink:ChemicalSubstance alpha-D-Manp-(1->2)-alpha-D-Manp-(1->6)-alpha-D-Manp-(1->4)-alpha-D-GlcpN An amino tetrasaccharide comprising a linear chain of three alpha-D-mannose and one N-acetyl-alpha-D-glucosamine resides joined in sequence by (1->2), (1->6) and (1->2) glycosidic linkages. GlyTouCan:G46392BZ|GlyGen:G46392BZ chebi.json Man(a1-2)Man(a1-6)Man(a1-4)a-GlcN|alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl-(1->4)-2-amino-2-deoxy-alpha-D-glucopyranose|WURCS=2.0/2,4,3/[a2122h-1a_1-5_2*N][a1122h-1a_1-5]/1-2-2-2/a4-b1_b6-c1_c2-d1|(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5S,6R)-6-[(2R,3S,4R,5R,6S)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol http://purl.obolibrary.org/obo/CHEBI_145614 3_STAR CHEBI:106050 biolink:ChemicalSubstance N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-yl-4-pyridinecarboxamide LINCS:LSM-17411 chebi.json http://purl.obolibrary.org/obo/CHEBI_106050 2_STAR CHEBI:106051 biolink:ChemicalSubstance 1-(3,4-dimethylphenyl)-3-(2-pyrimidinylthio)pyrrolidine-2,5-dione LINCS:LSM-17412 chebi.json http://purl.obolibrary.org/obo/CHEBI_106051 2_STAR CHEBI:106052 biolink:ChemicalSubstance 3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one LINCS:LSM-17413 chebi.json http://purl.obolibrary.org/obo/CHEBI_106052 2_STAR CHEBI:106053 biolink:ChemicalSubstance N'-[(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-6-oxo-1H-pyridazine-3-carbohydrazide LINCS:LSM-17414 chebi.json http://purl.obolibrary.org/obo/CHEBI_106053 2_STAR CHEBI:106043 biolink:ChemicalSubstance 4-[4-(3-methyl-4-nitrophenoxy)butoxy]benzonitrile LINCS:LSM-17404 chebi.json http://purl.obolibrary.org/obo/CHEBI_106043 2_STAR CHEBI:106044 biolink:ChemicalSubstance 8-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]quinoline LINCS:LSM-17405 chebi.json http://purl.obolibrary.org/obo/CHEBI_106044 2_STAR CHEBI:106045 biolink:ChemicalSubstance 1-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-4-pyrazolo[3,4-d]pyrimidinamine LINCS:LSM-17406 chebi.json http://purl.obolibrary.org/obo/CHEBI_106045 2_STAR CHEBI:106046 biolink:ChemicalSubstance 3-(3-methoxyphenyl)-2-propenoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester LINCS:LSM-17407 chebi.json http://purl.obolibrary.org/obo/CHEBI_106046 2_STAR CHEBI:106047 biolink:ChemicalSubstance 2-cyano-3-[2-(3,5-dimethylphenoxy)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenoic acid methyl ester LINCS:LSM-17408 chebi.json http://purl.obolibrary.org/obo/CHEBI_106047 2_STAR CHEBI:106048 biolink:ChemicalSubstance 4-(4-chlorophenoxy)-1-(4-morpholinyl)-1-butanone LINCS:LSM-17409 chebi.json http://purl.obolibrary.org/obo/CHEBI_106048 2_STAR CHEBI:106049 biolink:ChemicalSubstance N,N-diethyl-3-[(4-fluorophenyl)sulfonylamino]-4-(1-pyrrolidinyl)benzenesulfonamide LINCS:LSM-17410 chebi.json http://purl.obolibrary.org/obo/CHEBI_106049 2_STAR CHEBI:51473 biolink:ChemicalSubstance prop-1-ynyllithium Beilstein:3587240|Gmelin:1509|CAS:4529-04-8 chebi.json prop-1-yn-1-yllithium|1-propynyllithium http://purl.obolibrary.org/obo/CHEBI_51473 3_STAR CHEBI:145615 biolink:ChemicalSubstance beta-D-GlcpA-(1->4)-alpha-D-GlcpNS An amino disaccharide consisting of beta-D-glucopyranuronic acid residue joined by a (1->4) glycosidic linkage to a 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl residue. GlyTouCan:G47876BP|GlyGen:G47876BP chebi.json GlcA(b1-4)a-GlcNS|(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid|beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-deoxy-2-sulfoamino-alpha-D-gluco-hexopyranose|2-deoxy-4-O-beta-D-glucopyranuronosyl-2-(sulfoamino)-alpha-D-glucopyranose|WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NSO/3=O/3=O][a2122A-1b_1-5]/1-2/a4-b1 http://purl.obolibrary.org/obo/CHEBI_145615 3_STAR CHEBI:145616 biolink:ChemicalSubstance alpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)-[alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)]-alpha-D-Manp-(1->6)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc A high mannose oligosaccharide consisting of three alpha-D-mannopyranose residues, a beta-D-mannopyranose residue, a 2-acetamido-beta-D-glucopyranosyl residue and a 2-acetamido-alpha-D-glucopyranosyl residues joined in sequence by (1->2), (1->2), (1->3), (1->4), and (1->4) glycosidic linkages, and in which the second mannosyl group from the chitobiose moiety is substituted at position 6 by a alpha-D-mannopyranosyl-(1->6)-[alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)]-alpha-D-mannopyranosyl group. GlyGen:G48148JS|KEGG:G10597|GlyTouCan:G48148JS chebi.json 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-glucopyranose|Man(a1-2)Man(a1-2)Man(a1-3)[Man(a1-2)Man(a1-3)[Man(a1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)a-GlcNAc|N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-3,5-dihydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide|WURCS=2.0/4,10,9/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-4-4-4-4-4-4/a4-b1_b4-c1_c3-d1_c6-g1_d2-e1_e2-f1_g3-h1_g6-j1_h2-i1 http://purl.obolibrary.org/obo/CHEBI_145616 3_STAR CHEBI:51474 biolink:ChemicalSubstance FUN-1 Halogenated cyanine compound that binds nucleic acids. Beilstein:9029254 chebi.json 2-chloro-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-phenylquinolinium iodide|2-[(2-chloro-1-phenylquinolin-4(1H)-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium iodide http://purl.obolibrary.org/obo/CHEBI_51474 3_STAR CHEBI:145617 biolink:ChemicalSubstance beta-D-Glcp-(1->3)-[beta-D-Glcp-(1->6)]-beta-D-Glcp A beta-D-Glcp-(1->3)-[beta-D-Glcp-(1->6)]-D-Glcp which has beta- configuration at the anomeric carbon of the non-terminal glucopyranose ring. GlyTouCan:G50195ND|GlyGen:G50195ND chebi.json Glc(b1-3)[Glc(b1-6)]b-Glc|(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6R)-3,5,6-trihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol|WURCS=2.0/1,3,2/[a2122h-1b_1-5]/1-1-1/a3-b1_a6-c1|beta-D-glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_145617 3_STAR CHEBI:51475 biolink:ChemicalSubstance naphthohydroquinone A hydroxynaphthalene that is naphthalene-1,4-diol and its C-substituted derivatives. chebi.json naphthohydroquinones|naphthohydroquinone http://purl.obolibrary.org/obo/CHEBI_51475 3_STAR CHEBI:145618 biolink:ChemicalSubstance alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpNAc An amino tetrasaccharide consisting of alpha-D-mannose, beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-alpha-D-glucosamine joined together in sequence by (1->3), (1->4) and (1->4) glycosidic linkages. GlyTouCan:G53394BX|KEGG:G12302|GlyGen:G53394BX chebi.json WURCS=2.0/4,4,3/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4/a4-b1_b4-c1_c3-d1|Man(a1-3)Man(b1-4)GlcNAc(b1-4)a-GlcNAc|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-glucopyranose|N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide http://purl.obolibrary.org/obo/CHEBI_145618 3_STAR CHEBI:51476 biolink:ChemicalSubstance O-amino sugar Any sugar having one or more alcoholic hydrogen moieties replaced by amino groups. chebi.json O-amino sugars http://purl.obolibrary.org/obo/CHEBI_51476 3_STAR CHEBI:145619 biolink:ChemicalSubstance alpha-D-Galp-(1->4)-alpha-D-Galp A alpha-D-Gal-(1->4)-D-Gal in which both galactose residues have alpha- configuration at the anomeric centre. GlyGen:G54046EC|GlyTouCan:G54046EC chebi.json Gal(a1-4)a-Gal|(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol|4-O-alpha-D-galactopyranosyl-alpha-D-galactopyranose|WURCS=2.0/1,2,1/[a2112h-1a_1-5]/1-1/a4-b1 http://purl.obolibrary.org/obo/CHEBI_145619 3_STAR CHEBI:51470 biolink:ChemicalSubstance phenyllithium Gmelin:2849|CAS:591-51-5|CAS:591-51-5|Beilstein:506502 chebi.json phenyllithium|LiPh http://purl.obolibrary.org/obo/CHEBI_51470 3_STAR CHEBI:51471 biolink:ChemicalSubstance 9H-fluoren-9-yllithium Gmelin:51677|Beilstein:3128850|CAS:881-04-9 chebi.json 9H-fluoren-9-yllithium http://purl.obolibrary.org/obo/CHEBI_51471 3_STAR CHEBI:51472 biolink:ChemicalSubstance vinyllithium Gmelin:723|CAS:917-57-7|Beilstein:3587231 chebi.json ethenyllithium http://purl.obolibrary.org/obo/CHEBI_51472 3_STAR CHEBI:99404 biolink:ChemicalSubstance 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-[(1-methyl-4-imidazolyl)sulfonyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3-fluorophenyl)methyl]acetamide LINCS:LSM-10783 chebi.json http://purl.obolibrary.org/obo/CHEBI_99404 2_STAR CHEBI:99405 biolink:ChemicalSubstance 3-methoxy-N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide LINCS:LSM-10784 chebi.json http://purl.obolibrary.org/obo/CHEBI_99405 2_STAR CHEBI:99406 biolink:ChemicalSubstance 1-(3,5-dimethyl-4-isoxazolyl)-3-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3-oxanyl]urea LINCS:LSM-10785 chebi.json http://purl.obolibrary.org/obo/CHEBI_99406 2_STAR CHEBI:99407 biolink:ChemicalSubstance LSM-10786 LINCS:LSM-10786 chebi.json http://purl.obolibrary.org/obo/CHEBI_99407 2_STAR CHEBI:99408 biolink:ChemicalSubstance N-[(2S,4aR,12aR)-2-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methylpropanamide LINCS:LSM-10787 chebi.json http://purl.obolibrary.org/obo/CHEBI_99408 2_STAR CHEBI:99409 biolink:ChemicalSubstance LSM-10788 LINCS:LSM-10788 chebi.json http://purl.obolibrary.org/obo/CHEBI_99409 2_STAR CHEBI:99400 biolink:ChemicalSubstance N-[(2R,4aR,12aR)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide LINCS:LSM-10779 chebi.json http://purl.obolibrary.org/obo/CHEBI_99400 2_STAR CHEBI:99401 biolink:ChemicalSubstance 2-[(3R,6aR,8S,10aR)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide LINCS:LSM-10780 chebi.json http://purl.obolibrary.org/obo/CHEBI_99401 2_STAR CHEBI:99402 biolink:ChemicalSubstance N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide LINCS:LSM-10781 chebi.json http://purl.obolibrary.org/obo/CHEBI_99402 2_STAR CHEBI:99403 biolink:ChemicalSubstance LSM-10782 LINCS:LSM-10782 chebi.json http://purl.obolibrary.org/obo/CHEBI_99403 2_STAR CHEBI:99426 biolink:ChemicalSubstance N-cyclohexyl-2-[(2S,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide LINCS:LSM-10805 chebi.json http://purl.obolibrary.org/obo/CHEBI_99426 2_STAR CHEBI:99427 biolink:ChemicalSubstance LSM-10806 LINCS:LSM-10806 chebi.json http://purl.obolibrary.org/obo/CHEBI_99427 2_STAR CHEBI:99428 biolink:ChemicalSubstance 1-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propylurea LINCS:LSM-10807 chebi.json http://purl.obolibrary.org/obo/CHEBI_99428 2_STAR CHEBI:99429 biolink:ChemicalSubstance 2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide LINCS:LSM-10808 chebi.json http://purl.obolibrary.org/obo/CHEBI_99429 2_STAR CHEBI:131098 biolink:ChemicalSubstance LSM-42646 LINCS:LSM-42646 chebi.json http://purl.obolibrary.org/obo/CHEBI_131098 2_STAR CHEBI:131099 biolink:ChemicalSubstance 2-(dimethylamino)-1-[(1R)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-thiazolylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone LINCS:LSM-42647 chebi.json http://purl.obolibrary.org/obo/CHEBI_131099 2_STAR CHEBI:131090 biolink:ChemicalSubstance N-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-(2-methylpropyl)-2-pyridinecarboxamide LINCS:LSM-42638 chebi.json http://purl.obolibrary.org/obo/CHEBI_131090 2_STAR CHEBI:131091 biolink:ChemicalSubstance N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-1-methyl-4-imidazolesulfonamide LINCS:LSM-42639 chebi.json http://purl.obolibrary.org/obo/CHEBI_131091 2_STAR CHEBI:131092 biolink:ChemicalSubstance [(1S)-7-methoxy-1'-(4-oxanylmethyl)-2-(pyridin-4-ylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol LINCS:LSM-42640 chebi.json http://purl.obolibrary.org/obo/CHEBI_131092 2_STAR CHEBI:99420 biolink:ChemicalSubstance 3,5-dichloro-N-[(2S,3S)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzamide LINCS:LSM-10799 chebi.json http://purl.obolibrary.org/obo/CHEBI_99420 2_STAR CHEBI:131093 biolink:ChemicalSubstance [(1S)-7-methoxy-1'-(3-pyridinylmethyl)-2-(2-thiazolylmethyl)-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol LINCS:LSM-42641 chebi.json http://purl.obolibrary.org/obo/CHEBI_131093 2_STAR CHEBI:99421 biolink:ChemicalSubstance LSM-10800 LINCS:LSM-10800 chebi.json http://purl.obolibrary.org/obo/CHEBI_99421 2_STAR CHEBI:131094 biolink:ChemicalSubstance 1-[(8R,9S,10S)-9-(4-bromophenyl)-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]-2-(4-morpholinyl)ethanone LINCS:LSM-42642 chebi.json http://purl.obolibrary.org/obo/CHEBI_131094 2_STAR CHEBI:99422 biolink:ChemicalSubstance 2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester LINCS:LSM-10801 chebi.json http://purl.obolibrary.org/obo/CHEBI_99422 2_STAR CHEBI:99423 biolink:ChemicalSubstance N-[(2S,4aS,12aS)-2-[2-[(1,3-dimethyl-4-pyrazolyl)amino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzamide LINCS:LSM-10802 chebi.json http://purl.obolibrary.org/obo/CHEBI_99423 2_STAR CHEBI:131095 biolink:ChemicalSubstance (2S,3R)-8-(1-cyclohexenyl)-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-42643 chebi.json http://purl.obolibrary.org/obo/CHEBI_131095 2_STAR CHEBI:131096 biolink:ChemicalSubstance (2R)-2-[(4S,5S)-8-[3-(dimethylamino)prop-1-ynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-42644 chebi.json http://purl.obolibrary.org/obo/CHEBI_131096 2_STAR CHEBI:99424 biolink:ChemicalSubstance N-[(1S,3R,4aR,9aS)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide LINCS:LSM-10803 chebi.json http://purl.obolibrary.org/obo/CHEBI_99424 2_STAR CHEBI:131097 biolink:ChemicalSubstance N-[[(2R,3R,4S)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-4-fluoro-N-propan-2-ylbenzamide LINCS:LSM-42645 chebi.json http://purl.obolibrary.org/obo/CHEBI_131097 2_STAR CHEBI:99425 biolink:ChemicalSubstance 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide LINCS:LSM-10804 chebi.json http://purl.obolibrary.org/obo/CHEBI_99425 2_STAR CHEBI:99415 biolink:ChemicalSubstance (2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide LINCS:LSM-10794 chebi.json http://purl.obolibrary.org/obo/CHEBI_99415 2_STAR CHEBI:99416 biolink:ChemicalSubstance 1-[(4S,7S,8S)-5-(2-cyclopropyl-1-oxoethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-phenylurea LINCS:LSM-10795 chebi.json http://purl.obolibrary.org/obo/CHEBI_99416 2_STAR CHEBI:99417 biolink:ChemicalSubstance N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide LINCS:LSM-10796 chebi.json http://purl.obolibrary.org/obo/CHEBI_99417 2_STAR CHEBI:99418 biolink:ChemicalSubstance LSM-10797 LINCS:LSM-10797 chebi.json http://purl.obolibrary.org/obo/CHEBI_99418 2_STAR CHEBI:99419 biolink:ChemicalSubstance N-[(2S,4aS,12aR)-2-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]cyclohexanecarboxamide LINCS:LSM-10798 chebi.json http://purl.obolibrary.org/obo/CHEBI_99419 2_STAR CHEBI:99410 biolink:ChemicalSubstance N-[(2R,3S)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide LINCS:LSM-10789 chebi.json http://purl.obolibrary.org/obo/CHEBI_99410 2_STAR CHEBI:99411 biolink:ChemicalSubstance N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide LINCS:LSM-10790 chebi.json http://purl.obolibrary.org/obo/CHEBI_99411 2_STAR CHEBI:99412 biolink:ChemicalSubstance LSM-10791 LINCS:LSM-10791 chebi.json http://purl.obolibrary.org/obo/CHEBI_99412 2_STAR CHEBI:99413 biolink:ChemicalSubstance 2-[(1S,3S,4aS,9aR)-6-[[(cyclohexylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide LINCS:LSM-10792 chebi.json http://purl.obolibrary.org/obo/CHEBI_99413 2_STAR CHEBI:99414 biolink:ChemicalSubstance N-[(2R,4aS,12aR)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3-fluorobenzenesulfonamide LINCS:LSM-10793 chebi.json http://purl.obolibrary.org/obo/CHEBI_99414 2_STAR CHEBI:99448 biolink:ChemicalSubstance (3R,6aR,8R,10aR)-3-hydroxy-8-[2-[2-(1-methyl-4-imidazolyl)ethylamino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide LINCS:LSM-10827 chebi.json http://purl.obolibrary.org/obo/CHEBI_99448 2_STAR CHEBI:99449 biolink:ChemicalSubstance N-[(1R,3S,4aR,9aS)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide LINCS:LSM-10828 chebi.json http://purl.obolibrary.org/obo/CHEBI_99449 2_STAR CHEBI:170600 biolink:ChemicalSubstance TG(18:1(11Z)/14:1(9Z)/18:1(9Z)) HMDB:HMDB0049220|Chemspider:59658289 chebi.json [(2S)-3-[(Z)-octadec-11-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170600 2_STAR CHEBI:170601 biolink:ChemicalSubstance PE(P-18:1(9Z)/20:3(5Z,8Z,11Z)) Chemspider:24769333|HMDB:HMDB0011449 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170601 2_STAR CHEBI:170602 biolink:ChemicalSubstance TG(18:1(11Z)/14:1(9Z)/18:1(11Z)) HMDB:HMDB0049219|Chemspider:30777912 chebi.json [3-[(Z)-octadec-11-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170602 2_STAR CHEBI:170603 biolink:ChemicalSubstance PE(22:4(7Z,10Z,13Z,16Z)/P-16:0) Chemspider:24769053|HMDB:HMDB0009609 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-1-enoxy]propyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170603 2_STAR CHEBI:170604 biolink:ChemicalSubstance PE(20:4(8Z,11Z,14Z,17Z)/P-18:0) Chemspider:24768896|HMDB:HMDB0009445 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-1-enoxy]propyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170604 2_STAR CHEBI:170605 biolink:ChemicalSubstance TG(16:1(9Z)/14:1(9Z)/20:1(11Z)) Chemspider:59657691|HMDB:HMDB0048570 chebi.json [(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170605 2_STAR CHEBI:170606 biolink:ChemicalSubstance TG(16:1(9Z)/16:0/18:2(9Z,12Z)) HMDB:HMDB0048464|Chemspider:59657598 chebi.json [(2S)-2-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate http://purl.obolibrary.org/obo/CHEBI_170606 2_STAR CHEBI:170607 biolink:ChemicalSubstance PE(20:4(5Z,8Z,11Z,14Z)/P-18:0) HMDB:HMDB0009412|Chemspider:24768863 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-1-enoxy]propyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170607 2_STAR CHEBI:170608 biolink:ChemicalSubstance TG(16:1(9Z)/14:0/20:2n6) HMDB:HMDB0048422|Chemspider:59657559 chebi.json [(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-tetradecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170608 2_STAR CHEBI:170609 biolink:ChemicalSubstance PE(20:3(8Z,11Z,14Z)/P-18:1(9Z)) Chemspider:24768832|HMDB:HMDB0009381 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170609 2_STAR CHEBI:131076 biolink:ChemicalSubstance N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3,5-dimethyl-4-isoxazolesulfonamide LINCS:LSM-42624 chebi.json http://purl.obolibrary.org/obo/CHEBI_131076 2_STAR CHEBI:131077 biolink:ChemicalSubstance N-ethyl-3-fluoro-N-[[(2R,3R,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]benzamide LINCS:LSM-42625 chebi.json http://purl.obolibrary.org/obo/CHEBI_131077 2_STAR CHEBI:131078 biolink:ChemicalSubstance 1-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-propan-2-ylurea LINCS:LSM-42626 chebi.json http://purl.obolibrary.org/obo/CHEBI_131078 2_STAR CHEBI:131079 biolink:ChemicalSubstance (1S)-N1'-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1',2-dicarboxamide LINCS:LSM-42627 chebi.json http://purl.obolibrary.org/obo/CHEBI_131079 2_STAR CHEBI:99440 biolink:ChemicalSubstance N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide LINCS:LSM-10819 chebi.json http://purl.obolibrary.org/obo/CHEBI_99440 2_STAR CHEBI:99441 biolink:ChemicalSubstance 2-[(3S,6aS,8R,10aS)-1-[(2,5-difluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-chlorophenyl)methyl]acetamide LINCS:LSM-10820 chebi.json http://purl.obolibrary.org/obo/CHEBI_99441 2_STAR CHEBI:99442 biolink:ChemicalSubstance LSM-10821 LINCS:LSM-10821 chebi.json http://purl.obolibrary.org/obo/CHEBI_99442 2_STAR CHEBI:131070 biolink:ChemicalSubstance 1-[(3S,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-[4-(trifluoromethyl)phenyl]urea LINCS:LSM-42618 chebi.json http://purl.obolibrary.org/obo/CHEBI_131070 2_STAR CHEBI:99443 biolink:ChemicalSubstance N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide LINCS:LSM-10822 chebi.json http://purl.obolibrary.org/obo/CHEBI_99443 2_STAR CHEBI:131071 biolink:ChemicalSubstance N-(2-aminophenyl)-4-[[[(2S,3S)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide LINCS:LSM-42619 chebi.json http://purl.obolibrary.org/obo/CHEBI_131071 2_STAR CHEBI:99444 biolink:ChemicalSubstance (2R,3R,3aS,9bS)-7-(1-cyclopentenyl)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide LINCS:LSM-10823 chebi.json http://purl.obolibrary.org/obo/CHEBI_99444 2_STAR CHEBI:131072 biolink:ChemicalSubstance (2S,3S)-8-(1-cyclohexenyl)-2-[[cyclopentylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-42620 chebi.json http://purl.obolibrary.org/obo/CHEBI_131072 2_STAR CHEBI:131073 biolink:ChemicalSubstance 2-[(3R,6aR,8S,10aR)-1-[(3-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-pyridin-4-ylethyl)acetamide LINCS:LSM-42621 chebi.json http://purl.obolibrary.org/obo/CHEBI_131073 2_STAR CHEBI:99445 biolink:ChemicalSubstance N-[(4S,7R,8R)-5-[(4-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide LINCS:LSM-10824 chebi.json http://purl.obolibrary.org/obo/CHEBI_99445 2_STAR CHEBI:99446 biolink:ChemicalSubstance 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone LINCS:LSM-10825 chebi.json http://purl.obolibrary.org/obo/CHEBI_99446 2_STAR CHEBI:131074 biolink:ChemicalSubstance N-(2-aminophenyl)-4-[[[(2S,3S)-9-[[(4-fluoroanilino)-oxomethyl]amino]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide LINCS:LSM-42622 chebi.json http://purl.obolibrary.org/obo/CHEBI_131074 2_STAR CHEBI:99447 biolink:ChemicalSubstance 1-(3,5-dimethyl-4-isoxazolyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(3,3,3-trifluoropropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea LINCS:LSM-10826 chebi.json http://purl.obolibrary.org/obo/CHEBI_99447 2_STAR CHEBI:131075 biolink:ChemicalSubstance N'-(2-aminophenyl)-N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]heptanediamide LINCS:LSM-42623 chebi.json http://purl.obolibrary.org/obo/CHEBI_131075 2_STAR CHEBI:99437 biolink:ChemicalSubstance 2-[(2S,4aS,12aS)-8-[[(2-fluoroanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-pyridin-4-ylethyl)acetamide LINCS:LSM-10816 chebi.json http://purl.obolibrary.org/obo/CHEBI_99437 2_STAR CHEBI:99438 biolink:ChemicalSubstance LSM-10817 LINCS:LSM-10817 chebi.json http://purl.obolibrary.org/obo/CHEBI_99438 2_STAR CHEBI:99439 biolink:ChemicalSubstance 2-methoxy-N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(2-pyridinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide LINCS:LSM-10818 chebi.json http://purl.obolibrary.org/obo/CHEBI_99439 2_STAR CHEBI:170610 biolink:ChemicalSubstance TG(14:1(9Z)/18:0/18:2(9Z,12Z)) Chemspider:75320318|LIPID_MAPS_instance:LMGL03014748 chebi.json [(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170610 2_STAR CHEBI:170611 biolink:ChemicalSubstance PE(20:3(8Z,11Z,14Z)/P-18:1(11Z)) HMDB:HMDB0009380|Chemspider:24768831 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170611 2_STAR CHEBI:170612 biolink:ChemicalSubstance TG(14:1(9Z)/16:0/20:2n6) HMDB:HMDB0047780|Chemspider:59656948 chebi.json [(2R)-2-hexadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170612 2_STAR CHEBI:170613 biolink:ChemicalSubstance PE(20:3(5Z,8Z,11Z)/P-18:1(9Z)) HMDB:HMDB0009348|Chemspider:24768799 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170613 2_STAR CHEBI:170614 biolink:ChemicalSubstance PE(20:3(5Z,8Z,11Z)/P-18:1(11Z)) HMDB:HMDB0009347|Chemspider:24768798 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170614 2_STAR CHEBI:170615 biolink:ChemicalSubstance TG(14:1(9Z)/14:0/22:2(13Z,16Z)) Chemspider:59656907|HMDB:HMDB0047737 chebi.json [(2R)-2-tetradecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170615 2_STAR CHEBI:170616 biolink:ChemicalSubstance TG(14:1(9Z)/22:1(13Z)/14:1(9Z)) HMDB:HMDB0048023|Chemspider:30777859 chebi.json 1,3-bis[[(Z)-tetradec-9-enoyl]oxy]propan-2-yl (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170616 2_STAR CHEBI:170617 biolink:ChemicalSubstance PE(22:4(7Z,10Z,13Z,16Z)/16:0) HMDB:HMDB0009583|LIPID_MAPS_instance:LMGP02011108|Chemspider:24769027 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170617 2_STAR CHEBI:170618 biolink:ChemicalSubstance TG(14:1(9Z)/20:1(11Z)/16:1(9Z)) Chemspider:59657137|HMDB:HMDB0047978 chebi.json [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170618 2_STAR CHEBI:170619 biolink:ChemicalSubstance PE(20:4(8Z,11Z,14Z,17Z)/18:0) HMDB:HMDB0009420|Chemspider:24768871 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170619 2_STAR CHEBI:131087 biolink:ChemicalSubstance N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-2-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-2-phenylacetamide LINCS:LSM-42635 chebi.json http://purl.obolibrary.org/obo/CHEBI_131087 2_STAR CHEBI:131088 biolink:ChemicalSubstance 1-[(3aR,4R,9bR)-8-[2-(4-fluorophenyl)ethynyl]-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-methoxyethanone LINCS:LSM-42636 chebi.json http://purl.obolibrary.org/obo/CHEBI_131088 2_STAR CHEBI:131089 biolink:ChemicalSubstance (1R,5S)-7-[4-(3-methoxyphenyl)phenyl]-6-(3-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane LINCS:LSM-42637 chebi.json http://purl.obolibrary.org/obo/CHEBI_131089 2_STAR CHEBI:131080 biolink:ChemicalSubstance 1-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-3-(4-methoxyphenyl)urea LINCS:LSM-42628 chebi.json http://purl.obolibrary.org/obo/CHEBI_131080 2_STAR CHEBI:99430 biolink:ChemicalSubstance 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide LINCS:LSM-10809 chebi.json http://purl.obolibrary.org/obo/CHEBI_99430 2_STAR CHEBI:99431 biolink:ChemicalSubstance N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide LINCS:LSM-10810 chebi.json http://purl.obolibrary.org/obo/CHEBI_99431 2_STAR CHEBI:131081 biolink:ChemicalSubstance LSM-42629 LINCS:LSM-42629 chebi.json http://purl.obolibrary.org/obo/CHEBI_131081 2_STAR CHEBI:131082 biolink:ChemicalSubstance 1-(1,3-benzodioxol-5-yl)-3-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea LINCS:LSM-42630 chebi.json http://purl.obolibrary.org/obo/CHEBI_131082 2_STAR CHEBI:99432 biolink:ChemicalSubstance LSM-10811 LINCS:LSM-10811 chebi.json http://purl.obolibrary.org/obo/CHEBI_99432 2_STAR CHEBI:99433 biolink:ChemicalSubstance N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3-oxanyl]-1,3-benzodioxole-5-carboxamide LINCS:LSM-10812 chebi.json http://purl.obolibrary.org/obo/CHEBI_99433 2_STAR CHEBI:131083 biolink:ChemicalSubstance [(3aR,4R,9bR)-1-[(2-methoxyphenyl)methyl]-8-(2-phenylethynyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-4-yl]methanol LINCS:LSM-42631 chebi.json http://purl.obolibrary.org/obo/CHEBI_131083 2_STAR CHEBI:131084 biolink:ChemicalSubstance (1S)-1'-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide LINCS:LSM-42632 chebi.json http://purl.obolibrary.org/obo/CHEBI_131084 2_STAR CHEBI:99434 biolink:ChemicalSubstance LSM-10813 LINCS:LSM-10813 chebi.json http://purl.obolibrary.org/obo/CHEBI_99434 2_STAR CHEBI:99435 biolink:ChemicalSubstance N-[(4R,7R,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide LINCS:LSM-10814 chebi.json http://purl.obolibrary.org/obo/CHEBI_99435 2_STAR CHEBI:131085 biolink:ChemicalSubstance N-[(2R,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]methanesulfonamide LINCS:LSM-42633 chebi.json http://purl.obolibrary.org/obo/CHEBI_131085 2_STAR CHEBI:131086 biolink:ChemicalSubstance 1-[(1S)-2-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-2-(dimethylamino)ethanone LINCS:LSM-42634 chebi.json http://purl.obolibrary.org/obo/CHEBI_131086 2_STAR CHEBI:99436 biolink:ChemicalSubstance N-[(2S,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(1-piperidinyl)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide LINCS:LSM-10815 chebi.json http://purl.obolibrary.org/obo/CHEBI_99436 2_STAR CHEBI:170620 biolink:ChemicalSubstance PE(20:4(5Z,8Z,11Z,14Z)/18:0) Chemspider:24768838|LIPID_MAPS_instance:LMGP02010943|HMDB:HMDB0009387 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170620 2_STAR CHEBI:170621 biolink:ChemicalSubstance TG(14:1(9Z)/18:1(9Z)/18:1(9Z)) LIPID_MAPS_instance:LMGL03012850|Chemspider:75320328 chebi.json [(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170621 2_STAR CHEBI:170622 biolink:ChemicalSubstance PE(20:3(8Z,11Z,14Z)/18:1(9Z)) HMDB:HMDB0009356|Chemspider:24768807|LIPID_MAPS_instance:LMGP02010914 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170622 2_STAR CHEBI:170623 biolink:ChemicalSubstance TG(14:1(9Z)/18:1(9Z)/18:1(11Z)) HMDB:HMDB0047956|Chemspider:59657116 chebi.json [(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170623 2_STAR CHEBI:170624 biolink:ChemicalSubstance PE(20:3(8Z,11Z,14Z)/18:1(11Z)) Chemspider:24768806|HMDB:HMDB0009355 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170624 2_STAR CHEBI:170625 biolink:ChemicalSubstance TG(14:1(9Z)/18:1(11Z)/18:1(9Z)) Chemspider:59657095|HMDB:HMDB0047934 chebi.json [(2S)-2-[(Z)-octadec-11-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170625 2_STAR CHEBI:170626 biolink:ChemicalSubstance PE(20:3(5Z,8Z,11Z)/18:1(9Z)) HMDB:HMDB0009323|Chemspider:24768774 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170626 2_STAR CHEBI:170627 biolink:ChemicalSubstance TG(14:1(9Z)/18:1(11Z)/18:1(11Z)) Chemspider:59657094|HMDB:HMDB0047933 chebi.json [(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170627 2_STAR CHEBI:170628 biolink:ChemicalSubstance PE(20:3(5Z,8Z,11Z)/18:1(11Z)) HMDB:HMDB0009322|Chemspider:24768773 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170628 2_STAR CHEBI:170629 biolink:ChemicalSubstance TG(14:1(9Z)/16:1(9Z)/20:1(11Z)) Chemspider:75320304|LIPID_MAPS_instance:LMGL03014665 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170629 2_STAR CHEBI:131054 biolink:ChemicalSubstance LSM-42602 LINCS:LSM-42602 chebi.json http://purl.obolibrary.org/obo/CHEBI_131054 2_STAR CHEBI:131055 biolink:ChemicalSubstance [(8S,9R,10S)-10-(hydroxymethyl)-9-[4-(2-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]-(3-pyridinyl)methanone LINCS:LSM-42603 chebi.json http://purl.obolibrary.org/obo/CHEBI_131055 2_STAR CHEBI:131056 biolink:ChemicalSubstance LSM-42604 LINCS:LSM-42604 chebi.json http://purl.obolibrary.org/obo/CHEBI_131056 2_STAR CHEBI:131057 biolink:ChemicalSubstance (5S,8S)-8-[(4-methoxyphenyl)methyl]-5-propan-2-yl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one LINCS:LSM-42605 chebi.json http://purl.obolibrary.org/obo/CHEBI_131057 2_STAR CHEBI:131058 biolink:ChemicalSubstance 1-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-butanone LINCS:LSM-42606 chebi.json http://purl.obolibrary.org/obo/CHEBI_131058 2_STAR CHEBI:131059 biolink:ChemicalSubstance 1-[(3S,9R,10S)-9-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea LINCS:LSM-42607 chebi.json http://purl.obolibrary.org/obo/CHEBI_131059 2_STAR CHEBI:99460 biolink:ChemicalSubstance N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide LINCS:LSM-10839 chebi.json http://purl.obolibrary.org/obo/CHEBI_99460 2_STAR CHEBI:99461 biolink:ChemicalSubstance (4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-14-(1-oxobutylamino)-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide LINCS:LSM-10840 chebi.json http://purl.obolibrary.org/obo/CHEBI_99461 2_STAR CHEBI:99462 biolink:ChemicalSubstance 2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide LINCS:LSM-10841 chebi.json http://purl.obolibrary.org/obo/CHEBI_99462 2_STAR CHEBI:99463 biolink:ChemicalSubstance 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide LINCS:LSM-10842 chebi.json http://purl.obolibrary.org/obo/CHEBI_99463 2_STAR CHEBI:99464 biolink:ChemicalSubstance LSM-10843 LINCS:LSM-10843 chebi.json http://purl.obolibrary.org/obo/CHEBI_99464 2_STAR CHEBI:99465 biolink:ChemicalSubstance LSM-10844 LINCS:LSM-10844 chebi.json http://purl.obolibrary.org/obo/CHEBI_99465 2_STAR CHEBI:131050 biolink:ChemicalSubstance 2-(dimethylamino)-1-[(2R,3R)-2-(hydroxymethyl)-1-methylsulfonyl-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]ethanone LINCS:LSM-42598 chebi.json http://purl.obolibrary.org/obo/CHEBI_131050 2_STAR CHEBI:99466 biolink:ChemicalSubstance N-[(4R,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide LINCS:LSM-10845 chebi.json http://purl.obolibrary.org/obo/CHEBI_99466 2_STAR CHEBI:131051 biolink:ChemicalSubstance (6R,7R,8S)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one LINCS:LSM-42599 chebi.json http://purl.obolibrary.org/obo/CHEBI_131051 2_STAR CHEBI:99467 biolink:ChemicalSubstance N-[(5S,6R,9S)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-methoxybenzenesulfonamide LINCS:LSM-10846 chebi.json http://purl.obolibrary.org/obo/CHEBI_99467 2_STAR CHEBI:131052 biolink:ChemicalSubstance N-[[(3R,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide LINCS:LSM-42600 chebi.json http://purl.obolibrary.org/obo/CHEBI_131052 2_STAR CHEBI:99468 biolink:ChemicalSubstance N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide LINCS:LSM-10847 chebi.json http://purl.obolibrary.org/obo/CHEBI_99468 2_STAR CHEBI:99469 biolink:ChemicalSubstance N-[(4S,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide LINCS:LSM-10848 chebi.json http://purl.obolibrary.org/obo/CHEBI_99469 2_STAR CHEBI:131053 biolink:ChemicalSubstance (1R)-1-(hydroxymethyl)-7-methoxy-2-(phenylmethyl)-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide LINCS:LSM-42601 chebi.json http://purl.obolibrary.org/obo/CHEBI_131053 2_STAR CHEBI:145695 biolink:ChemicalSubstance delphinidin 3-O-rutinoside-7-O-beta-D-glucoside betaine A conjugate base of delphinidin 3-O-rutinoside-7-O-beta-D-glucoside arising from selective deprotonation of the 5-hydroxy group; major species at pH 7.3. MetaCyc:CPD-16558 chebi.json 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-5-olate|3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-7-(beta-D-glucopyranosyloxy)-2-(3,4,5-trihydroxyphenyl)chromenium-5-olate http://purl.obolibrary.org/obo/CHEBI_145695 3_STAR CHEBI:99459 biolink:ChemicalSubstance LSM-10838 LINCS:LSM-10838 chebi.json http://purl.obolibrary.org/obo/CHEBI_99459 2_STAR CHEBI:170630 biolink:ChemicalSubstance TG(14:1(9Z)/14:1(9Z)/22:1(13Z)) HMDB:HMDB0047891|Chemspider:59657054 chebi.json [(2R)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170630 2_STAR CHEBI:145696 biolink:ChemicalSubstance beta-D-Galp-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-O[CH2]3NH3(+) A glycoside that is beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc in which the hydroxy group at the reducing-end anomeric centre is replaced by a 3-azaniumylpropyl group. PMID:31546911 chebi.json beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc-O[CH2]3NH3(+)|3-ammoniopropyl 2-acetamido-4-O-beta-D-galactopyranosyl-6-O-[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside|3-ammoniopropyl beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->6)-[beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminide|Galbeta1-4(Galbeta1-4Glcbeta1-6)GlcNAcbetaO[CH2]3NH3(+)|3-ammoniopropyl beta-D-galactosyl-(1->4)-[beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminide|Galbeta1-4Glcbeta1-6(Galbeta1-4)GlcNAcbetaO[CH2]3NH3(+)|3-azaniumylpropyl 2-acetamido-4-O-beta-D-galactopyranosyl-6-O-[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside|3-{[beta-D-galactosyl-(1->4)-[beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminyl]oxy}propan-1-aminium|3-azaniumylpropyl beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->6)-[beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminide|beta-D-Gal-(1->4)-beta-D-Glc-(1->6)-[beta-D-Gal-(1->4)]-beta-D-GlcNAc-O[CH2]3NH3(+)|3-azaniumylpropyl beta-D-galactosyl-(1->4)-[beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminide|3-{[beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl]oxy}propan-1-aminium http://purl.obolibrary.org/obo/CHEBI_145696 3_STAR CHEBI:145697 biolink:ChemicalSubstance butropium A carboxylic ester resulting from the formal condensation of the carboxy group of (2S)-3-hydroxy-2-phenylpropanoic acid with the hydroxy group of (3-endo)-8-(4-butoxybenzyl)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane. Its bromide salt is used as an antispasmodic drug. CAS:107080-63-7|PMID:7431672|Drug_Central:456|PMID:4084348 chebi.json (3-endo)-8-(4-butoxybenzyl)-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane http://purl.obolibrary.org/obo/CHEBI_145697 3_STAR CHEBI:170631 biolink:ChemicalSubstance PE(20:2(11Z,14Z)/18:2(9Z,12Z)) Chemspider:24768742|HMDB:HMDB0009291|LIPID_MAPS_instance:LMGP02010884 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170631 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|PMID:11876436|PMID:7197975|PMID:7030355|PMID:8740147|PMID:2863856|PMID:2564830|PMID:9203481|PMID:10481962|PMID:6419132|PMID:11451005|PMID:11433766|CAS:41658-78-0|PMID:7197978|PMID:7197966|PMID:11145175|PMID:7197976|Drug_Central:153|PMID:7197974|PMID:12746100 chebi.json 4-amino-6-methoxy-1-phenylpyridazin-1-ium|4-amino-6-methoxy-1-phenyl-pyridazinium|amezinium(1+) http://purl.obolibrary.org/obo/CHEBI_145698 3_STAR CHEBI:170632 biolink:ChemicalSubstance PE(20:0/18:4(6Z,9Z,12Z,15Z)) LIPID_MAPS_instance:LMGP02010114|Chemspider:7825765|HMDB:HMDB0009228 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170632 2_STAR CHEBI:145699 biolink:ChemicalSubstance pyridazinium ion An organic cation resulting from the protonation of one of the nitrogens of pyridazine or its derivatives. chebi.json pyridazinium ions http://purl.obolibrary.org/obo/CHEBI_145699 3_STAR CHEBI:170633 biolink:ChemicalSubstance TG(18:0/14:1(9Z)/18:2(9Z,12Z)) HMDB:HMDB0044869|Chemspider:59654262 chebi.json [(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170633 2_STAR CHEBI:170634 biolink:ChemicalSubstance PE(18:4(6Z,9Z,12Z,15Z)/20:0) LIPID_MAPS_instance:LMGP02010757|HMDB:HMDB0009196|Chemspider:24768658 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170634 2_STAR CHEBI:170635 biolink:ChemicalSubstance TG(18:0/14:0/18:3(9Z,12Z,15Z)) Chemspider:59654101|HMDB:HMDB0044688 chebi.json [(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-tetradecanoyloxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170635 2_STAR CHEBI:170636 biolink:ChemicalSubstance PE(18:3(9Z,12Z,15Z)/20:1(11Z)) LIPID_MAPS_instance:LMGP02010727|HMDB:HMDB0009164|Chemspider:24768626 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170636 2_STAR CHEBI:566519 biolink:ChemicalSubstance 3,4,5-trimethoxycinnamic acid A methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions. PMID:3377143|Beilstein:1537834|Reaxys:1537834|CAS:90-50-6|PMID:8911701|LINCS:LSM-25612|PMID:25445378 chebi.json 3-(3,4,5-Trimethoxyphenyl)-2-propenoic acid|3-(3,4,5-trimethoxyphenyl)acrylic acid|3,4,5-Trimethoxyphenylacrylic acid|O-Methylsinapic acid|TMCA|3-(3,4,5-trimethoxyphenyl)acrylic acid http://purl.obolibrary.org/obo/CHEBI_566519 3_STAR CHEBI:170637 biolink:ChemicalSubstance TG(18:0/14:0/18:3(6Z,9Z,12Z)) HMDB:HMDB0044681|Chemspider:59654094 chebi.json [(2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-tetradecanoyloxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170637 2_STAR CHEBI:170638 biolink:ChemicalSubstance TG(18:0/18:2(9Z,12Z)/14:1(9Z)) Chemspider:59654453|HMDB:HMDB0045077 chebi.json [(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170638 2_STAR CHEBI:170639 biolink:ChemicalSubstance PE(18:3(6Z,9Z,12Z)/20:1(11Z)) HMDB:HMDB0009131|LIPID_MAPS_instance:LMGP02010699|Chemspider:24768594 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170639 2_STAR CHEBI:145690 biolink:ChemicalSubstance notoamide Any member of the class of indole alkaloids isolated from a marine-derived Aspergillus fungus and derived from proline, tryptophan and one or two isoprene units. They are closely related to brevianamides, paraherquamides, marcfortines, asperparalines and stephacidins. PMID:26287214|PMID:23213353|PMID:21818159|Wikipedia:Notoamide|PMID:22188465 chebi.json notoamides http://purl.obolibrary.org/obo/CHEBI_145690 3_STAR CHEBI:145691 biolink:ChemicalSubstance beta-D-Galp-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-OMe A methyl glycoside that is beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc in which the hydroxy group at the reducing-end anomeric centre is methylated. PMID:31546911 chebi.json beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc-OMe|methyl 2-acetamido-4-O-beta-D-galactopyranosyl-6-O-[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside|methyl beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranoside|methyl beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->6)-[beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminide|Galbeta1-4(Galbeta1-4Glcbeta1-6)GlcNAcbetaOMe|methyl beta-D-galactosyl-(1->4)-[beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminide|Galbeta1-4Glcbeta1-6(Galbeta1-4)GlcNAcbetaOMe|beta-D-Gal-(1->4)-beta-D-Glc-(1->6)-[beta-D-Gal-(1->4)]-beta-D-GlcNAc-OMe|beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-OMe http://purl.obolibrary.org/obo/CHEBI_145691 3_STAR CHEBI:145692 biolink:ChemicalSubstance beta-D-Galp-(1->4)-[beta-D-GalpA(-)-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-OMe A methyl glycoside that is beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc in which the CH2OH of the galactose within the trisaccharide chain is replaced by anionic carboxylate and the hydroxy group at the reducing-end anomeric centre is methylated. PMID:31546911 chebi.json methyl beta-D-galactosyl-(1->4)-[beta-D-galacturonosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminide(1-)|methyl beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranuronosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranoside(1-)|beta-D-GalA(-)-(1->4)-beta-D-Glc-(1->6)-[beta-D-Gal-(1->4)]-beta-D-GlcNAc-OMe|GalA(-)beta1-4Glcbeta1-6(Galbeta1-4)GlcNAcbetaOMe|methyl beta-D-galactosyl-(1->4)-[beta-D-galacturonosyl-(1->4)-beta-D-glucosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucoside(1-)|Galbeta1-4(GalA(-)beta1-4Glcbeta1-6)GlcNAcbetaOMe|methyl 2-acetamido-4-O-beta-D-galactopyranosyl-6-O-[4-O-(beta-D-galactopyranosyl uronate)-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside|beta-D-GalpA(-)-(1->4)-beta-D-Glcp-(1->6)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-OMe|beta-D-Gal-(1->4)-[beta-D-GalA(-)-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc-OMe http://purl.obolibrary.org/obo/CHEBI_145692 3_STAR CHEBI:145693 biolink:ChemicalSubstance delphinidin 3-O-rutinoside-7-O-beta-D-glucoside An anthocyanin cation consisting of delphinidin having a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue attached at the 3-hydroxy position and a beta-D-glucosyl residue at the 7-hydroxy position. PMID:24179131 chebi.json 3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-1-ium-7-yl beta-D-glucopyranoside|3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5-hydroxy-2-(3,4,5-trihydroxyphenyl)chromenium-7-yl beta-D-glucopyranoside|delphinidin 3-O-rutinoside-7-O-beta-D-glucopyranoside|delphinidin 3-O-rutinoside-7-O-glucoside http://purl.obolibrary.org/obo/CHEBI_145693 3_STAR CHEBI:145694 biolink:ChemicalSubstance 8-oxo-GMP(2-) chebi.json 8-oxo-GMP http://purl.obolibrary.org/obo/CHEBI_145694 2_STAR CHEBI:131065 biolink:ChemicalSubstance (6S,7S,8S)-4-[(4-fluorophenyl)-oxomethyl]-8-(hydroxymethyl)-7-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one LINCS:LSM-42613 chebi.json http://purl.obolibrary.org/obo/CHEBI_131065 2_STAR CHEBI:131066 biolink:ChemicalSubstance [(1S,2aR,8bR)-2-benzoyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-cyclopropylmethanone LINCS:LSM-42614 chebi.json http://purl.obolibrary.org/obo/CHEBI_131066 2_STAR CHEBI:131067 biolink:ChemicalSubstance 1-[(1S)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone LINCS:LSM-42615 chebi.json http://purl.obolibrary.org/obo/CHEBI_131067 2_STAR CHEBI:131068 biolink:ChemicalSubstance (6R,7R,8S)-4-[cyclohexyl(oxo)methyl]-7-[4-(2-fluorophenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one LINCS:LSM-42616 chebi.json http://purl.obolibrary.org/obo/CHEBI_131068 2_STAR CHEBI:131069 biolink:ChemicalSubstance 1-[[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-(thiophen-2-ylsulfonylamino)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea LINCS:LSM-42617 chebi.json http://purl.obolibrary.org/obo/CHEBI_131069 2_STAR CHEBI:99450 biolink:ChemicalSubstance 4-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile LINCS:LSM-10829 chebi.json http://purl.obolibrary.org/obo/CHEBI_99450 2_STAR CHEBI:99451 biolink:ChemicalSubstance N-[(3-fluorophenyl)methyl]-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide LINCS:LSM-10830 chebi.json http://purl.obolibrary.org/obo/CHEBI_99451 2_STAR CHEBI:99452 biolink:ChemicalSubstance (2R,3R,3aS,9bS)-1-[cyclohexyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-(5-pyrimidinyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid LINCS:LSM-10831 chebi.json http://purl.obolibrary.org/obo/CHEBI_99452 2_STAR CHEBI:99453 biolink:ChemicalSubstance (2R,3R,3aS,9bS)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1-(2-thiazolylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxylic acid methyl ester LINCS:LSM-10832 chebi.json http://purl.obolibrary.org/obo/CHEBI_99453 2_STAR CHEBI:99454 biolink:ChemicalSubstance LSM-10833 LINCS:LSM-10833 chebi.json http://purl.obolibrary.org/obo/CHEBI_99454 2_STAR CHEBI:131060 biolink:ChemicalSubstance [(3S)-2-tert-butylsulfinyl-4-[3-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-(4-methyl-1-piperazinyl)methanone LINCS:LSM-42608 chebi.json http://purl.obolibrary.org/obo/CHEBI_131060 2_STAR CHEBI:99455 biolink:ChemicalSubstance N-[(2R,4aS,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(3-propan-2-ylanilino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide LINCS:LSM-10834 chebi.json http://purl.obolibrary.org/obo/CHEBI_99455 2_STAR CHEBI:131061 biolink:ChemicalSubstance (1R,5S)-6-(4-methoxyphenyl)sulfonyl-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane LINCS:LSM-42609 chebi.json http://purl.obolibrary.org/obo/CHEBI_131061 2_STAR CHEBI:99456 biolink:ChemicalSubstance 2-[(2R,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester LINCS:LSM-10835 chebi.json http://purl.obolibrary.org/obo/CHEBI_99456 2_STAR CHEBI:131062 biolink:ChemicalSubstance LSM-42610 LINCS:LSM-42610 chebi.json http://purl.obolibrary.org/obo/CHEBI_131062 2_STAR CHEBI:99457 biolink:ChemicalSubstance LSM-10836 LINCS:LSM-10836 chebi.json http://purl.obolibrary.org/obo/CHEBI_99457 2_STAR CHEBI:131063 biolink:ChemicalSubstance (2S)-2-[(4S,5R)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl(2-pyridinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-42611 chebi.json http://purl.obolibrary.org/obo/CHEBI_131063 2_STAR CHEBI:131064 biolink:ChemicalSubstance [(3aS,4R,9bR)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclopentylmethanone LINCS:LSM-42612 chebi.json http://purl.obolibrary.org/obo/CHEBI_131064 2_STAR CHEBI:99458 biolink:ChemicalSubstance N-[(2R,3R,6R)-6-[2-[[(3,5-dichlorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide LINCS:LSM-10837 chebi.json http://purl.obolibrary.org/obo/CHEBI_99458 2_STAR CHEBI:26426 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26426 CHEBI:26427 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26427 CHEBI:26429 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26429 CHEBI:26423 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26423 CHEBI:26424 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26424 CHEBI:26420 biolink:ChemicalSubstance pyridinemonocarboxylic acid A monocarboxylic acid in which the carboxy group is attached to a pyridine (or substituted pyridine) ring. chebi.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. chebi.json http://purl.obolibrary.org/obo/CHEBI_26421 3_STAR CHEBI:26437 biolink:ChemicalSubstance pyrimidine nucleoside diphosphate chebi.json pyrimidine nucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26437 3_STAR CHEBI:26438 biolink:ChemicalSubstance pyrimidine nucleoside monophosphate chebi.json pyrimidine nucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26438 3_STAR CHEBI:26439 biolink:ChemicalSubstance pyrimidine nucleoside triphosphate chebi.json pyrimidine nucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_26439 3_STAR CHEBI:26433 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleoside diphosphate chebi.json pyrimidine 2'-deoxyribonucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26433 3_STAR CHEBI:26434 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleoside monophosphate chebi.json pyrimidine 2'-deoxyribonucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26434 3_STAR CHEBI:26435 biolink:ChemicalSubstance pyrimidine deoxyribonucleoside triphosphate chebi.json pyrimidine deoxyribonucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_26435 3_STAR CHEBI:26436 biolink:ChemicalSubstance pyrimidine 2'-deoxyribonucleotide chebi.json pyrimidine 2'-deoxyribonucleotides http://purl.obolibrary.org/obo/CHEBI_26436 3_STAR CHEBI:26430 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26430 CHEBI:26432 biolink:ChemicalSubstance pyrimidine nucleobase A nucleobase whose skeleton is derived from pyrimidine. chebi.json a pyrimidine nucleobase|pyrimidine bases|pyrimidine nucleobase|pyrimidine nucleobases http://purl.obolibrary.org/obo/CHEBI_26432 3_STAR CHEBI:26404 biolink:ChemicalSubstance puromycins chebi.json http://purl.obolibrary.org/obo/CHEBI_26404 1_STAR CHEBI:26405 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26405 CHEBI:26406 biolink:ChemicalSubstance N-substituted putrescine chebi.json N-substituted putrescines|putrescines http://purl.obolibrary.org/obo/CHEBI_26406 3_STAR CHEBI:26407 biolink:ChemicalSubstance pyrans chebi.json http://purl.obolibrary.org/obo/CHEBI_26407 3_STAR CHEBI:26400 biolink:ChemicalSubstance purine ribonucleotide Any ribonucleotide that has a purine nucleobase. chebi.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. chebi.json http://purl.obolibrary.org/obo/CHEBI_26401 3_STAR CHEBI:26402 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26402 CHEBI:26403 biolink:ChemicalSubstance puromycin 5'-phosphate chebi.json puromycin 5'-phosphates http://purl.obolibrary.org/obo/CHEBI_26403 3_STAR CHEBI:26408 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26408 CHEBI:26409 biolink:ChemicalSubstance pyrazole insecticide chebi.json pyrazole insecticides http://purl.obolibrary.org/obo/CHEBI_26409 3_STAR CHEBI:26415 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26415 CHEBI:26416 biolink:ChemicalSubstance pyridine alkaloid chebi.json pyridine alkaloids http://purl.obolibrary.org/obo/CHEBI_26416 3_STAR CHEBI:26417 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26417 CHEBI:26418 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26418 CHEBI:26411 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26411 CHEBI:26412 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26412 CHEBI:26413 biolink:ChemicalSubstance pyrethroid insecticide chebi.json pyrethroid insecticides http://purl.obolibrary.org/obo/CHEBI_26413 3_STAR CHEBI:26414 biolink:ChemicalSubstance pyridazinone chebi.json pyridazinones http://purl.obolibrary.org/obo/CHEBI_26414 3_STAR CHEBI:26410 biolink:ChemicalSubstance pyrazoles chebi.json http://purl.obolibrary.org/obo/CHEBI_26410 3_STAR CHEBI:26419 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26419 CHEBI:9607 biolink:ChemicalSubstance Tiron CAS:149-45-1|KEGG:C11159 chebi.json Tiron http://purl.obolibrary.org/obo/CHEBI_9607 2_STAR CHEBI:9608 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9608 CHEBI:9609 biolink:ChemicalSubstance Tizanidine hydrochloride CAS:64461-82-1|KEGG:D00776 chebi.json Tizanidine hydrochloride http://purl.obolibrary.org/obo/CHEBI_9609 2_STAR CHEBI:9603 biolink:ChemicalSubstance tinyatoxin A heteropentacyclic compound found in Euphorbia poissonii with molecular formula C36H38O8. It is an agonist of the transient receptor potential cation channel subfamily V member 1 (TrpV1). PMID:14599363|KEGG:C09201|KNApSAcK:C00003492|Wikipedia:Tinyatoxin|CAS:58821-95-7|Patent:WO2008011532|CAS:58821-95-7|Patent:US2009209633 chebi.json [(2S,3aR,3bS,6aR,9aR,9bR,10R,11aR)-2-benzyl-6a-hydroxy-8,10-dimethyl-7-oxo-11a-(prop-1-en-2-yl)-3a,6,6a,7,9a,10,11,11a-octahydro-3bH-2,9b-epoxyazuleno[4',5':5,6]benzo[1,2-d][1,3]dioxol-5-yl]methyl (4-hydroxyphenyl)acetate http://purl.obolibrary.org/obo/CHEBI_9603 3_STAR CHEBI:9604 biolink:ChemicalSubstance tioconazole A racemate comprising equimolar amounts of (R)- and (S)-tioconazole. PMID:464592|PMID:23318162|CAS:65899-73-2|DrugBank:DB01007|PMID:22530916|PMID:1387056|KEGG:D00890|PMID:24625577|CAS:65899-73-2|Wikipedia:Tioconazole|PMID:23716264|KEGG:C08082|PMID:3331369|PMID:6097174|PMID:8359005|PMID:3607817|PMID:2693142|PMID:8733370|HMDB:HMDB0015142|Reaxys:573867 chebi.json tioconazolum|(+-)-tioconazole|tioconazole|UK-20,349|tioconazol|tioconazole|1-(2,4-Dichloro-(beta-(2-chloro-3-thenyl)oxy)phenethyl)imidazole|racemic tioconazole|Vagistat-1|(RS)-tioconazole|UK 20349|(+-)-1-(2,4-Dichloro-beta-((2-chloro-3-ethenyl)oxy)phenethyl)imidazole|rac-tioconazole|rac-1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole http://purl.obolibrary.org/obo/CHEBI_9604 3_STAR CHEBI:9605 biolink:ChemicalSubstance tirofiban A member of the class of piperidines that is L-tyrosine in which a hydrogen attached to the amino group is replaced by a butylsulfonyl group and in which the hydrogen attached to the phenolic hydroxy group is replaced by a 4-(piperidin-4-yl)butyl group. KEGG:C07965|CAS:144494-65-5|Drug_Central:2680|DrugBank:DB00775|Patent:EP478363|Wikipedia:Tirofiban|Beilstein:6182267|Patent:US5292756|KEGG:D08607|PDBeChem:AGG chebi.json Tirofiban|(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid|N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine|tirofibanum|N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine|tirofiban http://purl.obolibrary.org/obo/CHEBI_9605 3_STAR CHEBI:9606 biolink:ChemicalSubstance tirofiban hydrochloride Beilstein:6169319|CAS:150915-40-5|DrugBank:DB00775|KEGG:D01029 chebi.json Aggrastat|Tirofiban hydrochloride monohydrate|(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid hydrochloride monohydrate|Tirofiban HCl|N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine hydrochloride monohydrate http://purl.obolibrary.org/obo/CHEBI_9606 3_STAR CHEBI:9600 biolink:ChemicalSubstance (S)-timolol maleate The maleic acid salt of the active (S)-enantiomer of timolol, comprising equimolar amounts of (S)-timolol and maleic acid. CAS:26921-17-5|Reaxys:6049992|CAS:26921-17-5|KEGG:D00603|DrugBank:DB00373 chebi.json Timoptic|(2S)-1-(tert-butylamino)-3-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}propan-2-ol (2Z)-but-2-enedioate|timolol hydrogen maleate|Blocadren|(S)-timolol hydrogen maleate|timolol maleate|(-)-1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-2-propanol maleate http://purl.obolibrary.org/obo/CHEBI_9600 3_STAR CHEBI:9601 biolink:ChemicalSubstance Tinctorine KEGG:C10790|KNApSAcK:C00002239|CAS:33023-11-9 chebi.json Tinctorine http://purl.obolibrary.org/obo/CHEBI_9601 2_STAR CHEBI:9602 biolink:ChemicalSubstance Tingenone CAS:50802-21-6|KNApSAcK:C00003759|KEGG:C08638 chebi.json Tingenone http://purl.obolibrary.org/obo/CHEBI_9602 2_STAR CHEBI:9618 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9618 CHEBI:9619 biolink:ChemicalSubstance tolmetin sodium An organic sodium salt that is the monosodium salt of tolmetin. Used in the form of its dihydrate as a nonselective nonsteroidal anti-inflammatory drug. PMID:6976279|KEGG:C02328|Patent:WO2004005309|PMID:300118|Reaxys:4626313|CAS:64490-92-2|PMID:6344227|PMID:7038657|PMID:8277771|PMID:7248666|PMID:7359312|PMID:3397980|PMID:7002482|PMID:7428434|DrugBank:DB00500|PMID:19505209|CAS:35711-34-3|PMID:470891|PMID:16414675|PMID:7396618|PMID:535831|PMID:405018|PMID:20582193|Wikipedia:Tolmetin_sodium|PMID:6350376|PMID:2094421|PMID:61224|Patent:US4349563|Patent:WO2009072139 chebi.json sodium [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate|Tolmetin sodium anhydrous|Sodium 1-methyl-5-(4-methylbenzoyl)-1H-pyrrole-2-acetate http://purl.obolibrary.org/obo/CHEBI_9619 3_STAR CHEBI:9614 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9614 CHEBI:9615 biolink:ChemicalSubstance Tolazoline hydrochloride KEGG:D00997|CAS:59-97-2 chebi.json Priscoline (TN)|Tolazoline hydrochloride http://purl.obolibrary.org/obo/CHEBI_9615 2_STAR CHEBI:9616 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9616 CHEBI:9617 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9617 CHEBI:9610 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9610 CHEBI:9611 biolink:ChemicalSubstance tocainide A monocarboxylic acid amide in which 2,6-dimethylphenylaniline and isobutyric acid have combined to form the amide bond; used as a local anaesthetic. CAS:41708-72-9|DrugBank:DB01056|LINCS:LSM-1909|Wikipedia:Tocainide|KEGG:C07142|CAS:41708-72-9|KEGG:D06172|Reaxys:2416564|PMID:12543515|Beilstein:2416564|Drug_Central:2686|PMID:9989796 chebi.json tocainida|N-(2,6-dimethylphenyl)alaninamide|2-Amino-2',6'-propionoxylidide|Alanyl-2,6-xylidide|tocainidum|2-Amino-N-(2,6-dimethylphenyl)propionamid|2-amino-N-(2,6-dimethylphenyl)propanamide|tocainide http://purl.obolibrary.org/obo/CHEBI_9611 3_STAR CHEBI:9612 biolink:ChemicalSubstance Tokoronin KEGG:C08916|CAS:27530-69-4|KNApSAcK:C00003595 chebi.json Tokoronin http://purl.obolibrary.org/obo/CHEBI_9612 2_STAR CHEBI:9613 biolink:ChemicalSubstance tolazamide An N-sulfonylurea that is 1-tosylurea in which a hydrogen attached to the nitrogen at position 3 is replaced by an azepan-1-yl group. A hypoglycemic agent, it is used for the treatment of type 2 diabetes mellitus. CAS:1156-19-0|DrugBank:DB00839|CAS:1156-19-0|PMID:8237731|HMDB:HMDB0014977|Wikipedia:Tolazamide|KEGG:D00379|PMID:15901207|Patent:GB887886|Reaxys:1323565|LINCS:LSM-2699|Drug_Central:2694|CAS:1156-19-0 chebi.json 1-(hexahydro-1H-azepin-1-yl)-3-(p-tolylsulfonyl)urea|N-{[(hexahydro-1H-azepin-1-yl)-amino]carbonyl}-4-methylbenzenesulfonamide|CCRIS 591|1-(hexahydro-1-azepinyl)-3-p-tolylsulfonylurea|tolazamide|tolazamida|N-(p-toluenesulfonyl)-N'-hexamethyleniminourea|4-(p-tolylsulfonyl)-1,1-hexamethylenesemicarbazide|Diabewas|N-(azepan-1-ylcarbamoyl)-4-methylbenzenesulfonamide|Norglycin|EINECS 214-588-3|U 17835|tolazamidum|U-17835|BRN 1323565|Tolinase http://purl.obolibrary.org/obo/CHEBI_9613 3_STAR CHEBI:145721 biolink:ChemicalSubstance beta-D-Galp-(1->4)-[alpha-L-Rhap-(1->3)]-beta-D-GlcpNAc-OMe A methyl glycoside that is beta-D-Galp-(1->4)-[alpha-L-Rhap-(1->3)]-beta-D-GlcpNAc (LacLe(x)) in which the hydroxy group at the reducing-end anomeric centre is methylated. PMID:31666308 chebi.json methyl alpha-L-rhamnopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranoside|beta-D-Gal-(1->4)-[alpha-L-Rha-(1->3)]-beta-D-GlcNAc-OMe|methyl beta-D-galactosyl-(1->4)-[alpha-L-rhamnosyl-(1->3)]-N-acetyl-beta-D-glucosaminide|methyl alpha-L-rhamnosyl-(1->3)-[beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminide|alpha-L-Rhap-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-OMe|methyl 6-deoxy-alpha-L-mannopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranoside|methyl beta-D-galactopyranosyl-(1->4)-[alpha-L-rhamnopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranoside|alpha-L-Rha-(1->3)-[beta-D-Gal-(1->4)]-beta-D-GlcNAc-OMe|Rhaalpha1-3(Galbeta1-4)GlcbetaNAcOMe|RhaLe(x)OMe|Galbeta1-4(Rhaalpha1-3)GlcbetaNAcOMe http://purl.obolibrary.org/obo/CHEBI_145721 3_STAR CHEBI:51466 biolink:ChemicalSubstance vinyllithium compound Vinyllithium and its substutution derivatives. chebi.json vinyllithium compounds http://purl.obolibrary.org/obo/CHEBI_51466 3_STAR CHEBI:145722 biolink:ChemicalSubstance beta-D-Galp-(1->4)-[alpha-L-Rhap-(1->3)]-beta-D-Glcp-OMe A methyl glycoside that is beta-D-Galp-(1->4)-[alpha-L-Rhap-(1->3)]-beta-D-Glcp (RhaLac) in which the hydroxy group at the reducing-end anomeric centre is methylated. PMID:31666308 chebi.json RhaLecOMe|Rhaalpha1-3(Galbeta1-4)GlcbetaOMe|beta-D-Gal-(1->4)-[alpha-L-Rha-(1->3)]-beta-D-Glc-OMe|methyl beta-D-galactopyranosyl-(1->4)-[alpha-L-rhamnopyranosyl-(1->3)]-beta-D-glucopyranoside|methyl 6-deoxy-alpha-L-mannopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-beta-D-glucopyranoside|alpha-L-Rha-(1->3)-[beta-D-Gal-(1->4)]-beta-D-Glc-OMe|methyl alpha-L-rhamnosyl-(1->3)-[beta-D-galactosyl-(1->4)]-beta-D-glucoside|methyl beta-D-galactosyl-(1->4)-[alpha-L-rhamnosyl-(1->3)]-beta-D-glucoside|Galbeta1-4(Rhaalpha1-3)GlcbetaOMe http://purl.obolibrary.org/obo/CHEBI_145722 3_STAR CHEBI:51467 biolink:ChemicalSubstance PicoGreen A cyanine dye that is 1-phenylquinoline which is substituted at position 2 by a bis[3-(dimethylamino)propyl]amino group and at position 4 by a (3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene group. The counter ion is not stated. A fluorochrome that selectively binds double-stranded DNA and has characteristics similar to that of SYBR-Green I. CAS:177571-06-1 chebi.json 2-[N-bis-(3-dimethylaminopropyl)-amino]-4-[2,3-dihydro-3-methyl-(benzo-1,3-thiazol-2-yl)-methylidene]-1-phenyl-quinolinium|2-{[2-{bis[3-(dimethylamino)propyl]amino}-1-phenylquinolin-4(1H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium|2-{bis[3-(dimethylamino)propyl]amino}-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-phenylquinolinium http://purl.obolibrary.org/obo/CHEBI_51467 3_STAR CHEBI:51468 biolink:ChemicalSubstance ethyllithium Gmelin:738|Beilstein:3587196|CAS:811-49-4|CAS:811-49-4 chebi.json ethyllithium|LiEt|ethyl lithium http://purl.obolibrary.org/obo/CHEBI_51468 3_STAR CHEBI:145723 biolink:ChemicalSubstance trifluoroacetamide chebi.json http://purl.obolibrary.org/obo/CHEBI_145723 1_STAR CHEBI:51469 biolink:ChemicalSubstance butyllithium CAS:109-72-8|Gmelin:1846|Beilstein:1209227|CAS:109-72-8 chebi.json butyllithium|LiBu|butyl lithium http://purl.obolibrary.org/obo/CHEBI_51469 3_STAR CHEBI:106110 biolink:ChemicalSubstance 1-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea LINCS:LSM-17471 chebi.json http://purl.obolibrary.org/obo/CHEBI_106110 2_STAR CHEBI:106111 biolink:ChemicalSubstance (2S,3R)-8-(3-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17472 chebi.json http://purl.obolibrary.org/obo/CHEBI_106111 2_STAR CHEBI:106112 biolink:ChemicalSubstance 1-[[(2S,3R)-8-(2-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea LINCS:LSM-17473 chebi.json http://purl.obolibrary.org/obo/CHEBI_106112 2_STAR CHEBI:9647 biolink:ChemicalSubstance Trachelogenin KNApSAcK:C00000600|KEGG:C10891|CAS:34209-69-3 chebi.json Trachelogenin|(-)-Trachelogenin http://purl.obolibrary.org/obo/CHEBI_9647 2_STAR CHEBI:106113 biolink:ChemicalSubstance (2S)-2-[(4R,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17474 chebi.json http://purl.obolibrary.org/obo/CHEBI_106113 2_STAR CHEBI:9648 biolink:ChemicalSubstance tramadol A racemate consisting of equal amounts of (R,R)- and (S,S)-tramadol. A centrally acting synthetic opioid analgesic, used (as the hydrochloride salt) to treat moderately severe pain. The (R,R)-enantiomer exhibits ten-fold higher analgesic potency than the (S,S)-enantiomer. Originally developed by Gruenenthal GmbH and launched in 1977, it was subsequently isolated from the root bark of the South African tree Nauclea latifolia. PMID:23962470|PMID:23907474|HMDB:HMDB0014339|PMID:23755929|PMID:23543914|PMID:23098678|PMID:22674657|PMID:23099620|PMID:23145962|PMID:23102445|Wikipedia:Tramadol|PMID:22964800|PMID:24014188|PMID:23825758|PMID:23328338|PMID:23756535|PMID:23668411|Patent:US3652589|PMID:23822079|KEGG:C07153|CAS:27203-92-5|PMID:23061925|PMID:23031839|PMID:23095734|PMID:23292128|CAS:27203-92-5|PMID:23773348|PMID:23840975|DrugBank:DB00193|PMID:25219922|KEGG:D08623|Patent:GB997399|PMID:23843224|Reaxys:2943832|PMID:23433451|PMID:23872384|PMID:22943675 chebi.json E-265|rac-(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol|tramadolum|(+-)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol|CG-315E|U-26225A|tramadol http://purl.obolibrary.org/obo/CHEBI_9648 3_STAR CHEBI:106114 biolink:ChemicalSubstance (2S,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17475 chebi.json http://purl.obolibrary.org/obo/CHEBI_106114 2_STAR CHEBI:106115 biolink:ChemicalSubstance 1-[[(2S,3R)-8-[2-(1-hydroxycyclopentyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea LINCS:LSM-17476 chebi.json http://purl.obolibrary.org/obo/CHEBI_106115 2_STAR CHEBI:9649 biolink:ChemicalSubstance trandolapril CAS:87679-37-6|HMDB:HMDB0014660|KEGG:D00383|PMID:29319234|PMID:23784370|PMID:25864194|DrugBank:DB00519|PMID:19337528|Wikipedia:Trandolapril|Reaxys:8655766|CAS:87679-37-6|Drug_Central:2712 chebi.json mavik|odrik|gopten|(2S,3aR,7aS)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid|Trandolapril http://purl.obolibrary.org/obo/CHEBI_9649 2_STAR CHEBI:106116 biolink:ChemicalSubstance (2R,3S)-8-[2-(2-fluorophenyl)ethynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17477 chebi.json http://purl.obolibrary.org/obo/CHEBI_106116 2_STAR CHEBI:9643 biolink:ChemicalSubstance Toxicarol CAS:82-09-7|KEGG:C10537|KNApSAcK:C00002580 chebi.json alpha-Toxicarol|Toxicarol http://purl.obolibrary.org/obo/CHEBI_9643 2_STAR CHEBI:51462 biolink:ChemicalSubstance alkyllithium compound An organolithium compound where an alkyl group is bound to a lithium atom. chebi.json http://purl.obolibrary.org/obo/CHEBI_51462 3_STAR CHEBI:106117 biolink:ChemicalSubstance N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide LINCS:LSM-17478 chebi.json http://purl.obolibrary.org/obo/CHEBI_106117 2_STAR CHEBI:106118 biolink:ChemicalSubstance N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide LINCS:LSM-17479 chebi.json http://purl.obolibrary.org/obo/CHEBI_106118 2_STAR CHEBI:9644 biolink:ChemicalSubstance Toxiferine I CAS:6888-23-9|KEGG:C09246|KNApSAcK:C00001776 chebi.json Toxiferine I http://purl.obolibrary.org/obo/CHEBI_9644 2_STAR CHEBI:51463 biolink:ChemicalSubstance alkenyllithium compound An organolithium compound where an alkenyl group is bound to a lithium atom. chebi.json alkenyllithium compounds http://purl.obolibrary.org/obo/CHEBI_51463 3_STAR CHEBI:106119 biolink:ChemicalSubstance (2S)-2-[(4R,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17480 chebi.json http://purl.obolibrary.org/obo/CHEBI_106119 2_STAR CHEBI:51464 biolink:ChemicalSubstance alkynyllithium compound An organolithium compound where an alkynyl group is bound to a lithium atom. chebi.json alkynyllithium compounds http://purl.obolibrary.org/obo/CHEBI_51464 3_STAR CHEBI:9645 biolink:ChemicalSubstance Toxol KNApSAcK:C00002410|KEGG:C08979|CAS:26296-56-0 chebi.json Toxol http://purl.obolibrary.org/obo/CHEBI_9645 2_STAR CHEBI:9646 biolink:ChemicalSubstance Toxyl angelate CAS:106928-36-3|KEGG:C08981|KNApSAcK:C00002411 chebi.json Toxyl angelate http://purl.obolibrary.org/obo/CHEBI_9646 2_STAR CHEBI:145728 biolink:ChemicalSubstance 3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oic acid A steroid acid that is 4beta,14-dimethyl-5alpha,9beta-9,19-cyclocholest-24-en-3beta-ol in which the 4alpha hydrogen has been replaced by a carboxy group. PMID:8505296|PMID:9240456|MetaCyc:CPD-12919 chebi.json 3beta-hydroxy-9beta-9,19-cyclolanost-24-en-28-oic acid|4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-cholest-24-en-3beta-ol http://purl.obolibrary.org/obo/CHEBI_145728 3_STAR CHEBI:51465 biolink:ChemicalSubstance aryllithium compound An organolithium compound where an aryl group is bound to a lithium atom. chebi.json aryllithium compounds http://purl.obolibrary.org/obo/CHEBI_51465 3_STAR CHEBI:145729 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_145729 CHEBI:9640 biolink:ChemicalSubstance Tos-Lys-CH2Cl KEGG:C00896 chebi.json Tos-Lys-CH2Cl http://purl.obolibrary.org/obo/CHEBI_9640 2_STAR CHEBI:51460 biolink:ChemicalSubstance albaflavenone A carbotricyclic compound that is (+)-epi-isozizaene in which the hydrogens at position 5 have been replaced by an oxo group. PMID:21342464|KNApSAcK:C00016952|KEGG:C17954|PMID:25469861|MetaCyc:CPD-9962|PMID:8195043|PMID:19385616|PMID:18234666|PMID:22151149|PMID:19858213 chebi.json (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulen-1-one|albaflavenone|(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-en-4-one|albaflavenone|(+)-epi-isozizaen-5-one http://purl.obolibrary.org/obo/CHEBI_51460 3_STAR CHEBI:9641 biolink:ChemicalSubstance Tos-Ph-CH2Cl KEGG:C01964 chebi.json Tos-Ph-CH2Cl http://purl.obolibrary.org/obo/CHEBI_9641 2_STAR CHEBI:51461 biolink:ChemicalSubstance SYBR Green I A benzothiazolium ion resulting from the methylation of the nitrogen of the benzothiazole group of N-[4-(1,3-benzothiazol-2-ylmethylene)-1-phenyl-1,4-dihydroquinolin-2-yl]-N',N'-dimethyl-N-propylpropane-1,3-diamine. A cationic unsymmetrical cyanine dye that binds to double-stranded DNA and is used as a nucleic acid stain in molecular biology. CAS:163795-75-3|Beilstein:9883000 chebi.json (E)-2-((2-((3-(dimethylamino)propyl)(propyl)amino)-1-phenylquinolin-4(1H)-ylidene)methyl)-3-methylbenzo[d]thiazol-3-ium|2-{[3-(dimethylamino)propyl](propyl)amino}-4-[(E)-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-phenylquinolinium|2-[N-(3-dimethylaminopropyl)-N-propylamino]-4-[2,3-dihydro-3-methyl-(benzo-1,3-thiazol-2-yl)-methylidene]-1-phenyl-quinolinium|2-{(E)-[2-{[3-(dimethylamino)propyl](propyl)amino}-1-phenylquinolin-4(1H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium http://purl.obolibrary.org/obo/CHEBI_51461 3_STAR CHEBI:9642 biolink:ChemicalSubstance N-tosyl-L-phenylalanyl chloromethyl ketone The N-tosyl derivative of L-phenylalanyl chloromethyl ketone. KEGG:C02088|CAS:402-71-1|CAS:402-71-1|Beilstein:6895141 chebi.json N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]-4-methylbenzenesulfonamide|Tos-Phe-CH2Cl|N-Tosyl-L-phenylalanyl chloromethyl ketone|TPCK|L-1-Tosylamido-2-phenylethyl chloromethyl ketone|Tosylphenylalanyl chloromethyl ketone|l-N-(alpha-(Chloroacetyl)phenethyl)-p-toluenesulfonamide|N-Tosyl-L-phenylalanine chloromethyl ketone http://purl.obolibrary.org/obo/CHEBI_9642 3_STAR CHEBI:51459 biolink:ChemicalSubstance N,N-dimethylcyclopropanecarboxamide CAS:17696-23-0|CAS:17696-23-0|Gmelin:486228 chebi.json N,N-dimethylcyclopropanecarboxamide http://purl.obolibrary.org/obo/CHEBI_51459 3_STAR CHEBI:9660 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9660 CHEBI:145710 biolink:ChemicalSubstance alpha-L-Fucp-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-GlcpNAc-OMe A methyl glycoside that is alpha-L-Fucp-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-GlcpNAc (Le(x)) in which the hydroxy group at the reducing-end anomeric centre is methylated. PMID:31666308 chebi.json methyl alpha-L-fucosyl-(1->3)-[beta-D-glucosyl-(1->4)]-N-acetyl-beta-D-glucosaminide|alpha-L-Fuc-(1->3)-[beta-D-Glc-(1->4)]-beta-D-GlcNAc-OMe|GlcLe(x)OMe|methyl alpha-L-fucosyl-(1->3)-[beta-D-glucosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucoside|Fucalpha1-3(Glcbeta1-4)GlcNAcbetaOMe|methyl alpha-L-fucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranoside|methyl 6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_145710 3_STAR CHEBI:51455 biolink:ChemicalSubstance cyclopropenes A carbocyclic compound that is cyclopropene and its derivatives formed by substitution. chebi.json http://purl.obolibrary.org/obo/CHEBI_51455 3_STAR CHEBI:145711 biolink:ChemicalSubstance silanamine An N-silyl compound that is silane in which a hydrogen is substituted by an amino group. CAS:13598-78-2|CAS:13598-78-2|AGR:IND605934117|PMID:28332393 chebi.json silanamine|amino-silane|silylamine|aminosilane http://purl.obolibrary.org/obo/CHEBI_145711 3_STAR CHEBI:51456 biolink:ChemicalSubstance cyclopropylcarboxamide Carboxamides RC(=O)NR'R'' where R is a cyclopropyl group. chebi.json cyclopropylcarboxamides http://purl.obolibrary.org/obo/CHEBI_51456 3_STAR CHEBI:51457 biolink:ChemicalSubstance cyclopropanecarboxamide Beilstein:1924346|CAS:6228-73-5|CAS:6228-73-5 chebi.json cyclopropyl carboxamide|carbamoylcyclopropane|cyclopropanecarboxamide|cyclopropylcarboxamide http://purl.obolibrary.org/obo/CHEBI_51457 3_STAR CHEBI:145712 biolink:ChemicalSubstance 16-heptadecenal A monounsaturated fatty aldehyde that is heptadecanal carrying a double bond at position 16. PMID:31700104 chebi.json heptadec-16-enal http://purl.obolibrary.org/obo/CHEBI_145712 3_STAR CHEBI:145713 biolink:ChemicalSubstance N-(trifluoroacetyl)glycine An N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of trifluoroacetic acid. CAS:383-70-0|CAS:383-70-0 chebi.json 2-[(2,2,2-trifluoroacetyl)amino]acetic acid|N-trifluoroacetyl glycine|N-(trifluoroacetyl)aminoacetic acid|(2,2,2-trifluoroacetamido)acetic acid|TFA-Gly-OH|N-(trifluoroacetyl)glycine http://purl.obolibrary.org/obo/CHEBI_145713 3_STAR CHEBI:51458 biolink:ChemicalSubstance (+)-epi-isozizaene PDBeChem:EL3|KEGG:C16269 chebi.json (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene|(+)-epi-isozizaene|(1R,2S,8S)-2,6,7,7-tetramethyltricyclo[6.2.1.0(1,5)]undec-5-ene http://purl.obolibrary.org/obo/CHEBI_51458 3_STAR CHEBI:106100 biolink:ChemicalSubstance (2S)-2-[(4R,5R)-4-methyl-8-(4-methylphenyl)-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17461 chebi.json http://purl.obolibrary.org/obo/CHEBI_106100 2_STAR CHEBI:106101 biolink:ChemicalSubstance (2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(2-methylphenyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17462 chebi.json http://purl.obolibrary.org/obo/CHEBI_106101 2_STAR CHEBI:9658 biolink:ChemicalSubstance Triacanthine CAS:10091-84-6|KEGG:C08435|PDBeChem:L21 chebi.json Triacanthine http://purl.obolibrary.org/obo/CHEBI_9658 2_STAR CHEBI:106102 biolink:ChemicalSubstance (2R)-2-[(4R,5S)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17463 chebi.json http://purl.obolibrary.org/obo/CHEBI_106102 2_STAR CHEBI:106103 biolink:ChemicalSubstance 1-[[(4S,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea LINCS:LSM-17464 chebi.json http://purl.obolibrary.org/obo/CHEBI_106103 2_STAR CHEBI:9659 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9659 CHEBI:106104 biolink:ChemicalSubstance N-[[(2S,3R)-8-(1-cyclopentenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridinecarboxamide LINCS:LSM-17465 chebi.json http://purl.obolibrary.org/obo/CHEBI_106104 2_STAR CHEBI:106105 biolink:ChemicalSubstance 2-(dimethylamino)-N-[[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide LINCS:LSM-17466 chebi.json http://purl.obolibrary.org/obo/CHEBI_106105 2_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|PMID:2895054|Drug_Central:2678|PMID:3656779|PMID:2895053 chebi.json 3-(di-2-thienylmethylene)-octahydro-5-methyl-trans-quinolizinium|trans-3-(di-2-thienylmethylene)octahydro-5-methyl-2H-quinolizinium|(5R,9aR)-3-[di(thiophen-2-yl)methylidene]-5-methyloctahydro-2H-quinolizinium|(5R,9aR)-3-[di(thiophen-2-yl)methylidene]-5-methyloctahydro-2H-quinolizin-5-ium http://purl.obolibrary.org/obo/CHEBI_145714 3_STAR CHEBI:9654 biolink:ChemicalSubstance trazodone An N-arylpiperazine in which one nitrogen is substituted by a 3-chlorophenyl group, while the other is substituted by a 3-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)propyl group. KEGG:C07156|Beilstein:628010|Wikipedia:Trazodone|Patent:US3381009|KEGG:D08626|Drug_Central:2717|CAS:19794-93-5|DrugBank:DB00656|LINCS:LSM-3580|CAS:19794-93-5 chebi.json 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one|2-(3-[4-(3-chlorophenyl)-1-piperazinyl]propyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one|trazodonum|trazodone|trazodona|Trazodone http://purl.obolibrary.org/obo/CHEBI_9654 3_STAR CHEBI:106106 biolink:ChemicalSubstance N-[[(2S,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide LINCS:LSM-17467 chebi.json http://purl.obolibrary.org/obo/CHEBI_106106 2_STAR CHEBI:51451 biolink:ChemicalSubstance endothelin receptor antagonist A hormone antagonist that blocks endothelin receptors. chebi.json ERA http://purl.obolibrary.org/obo/CHEBI_51451 3_STAR CHEBI:106107 biolink:ChemicalSubstance LSM-17468 LINCS:LSM-17468 chebi.json http://purl.obolibrary.org/obo/CHEBI_106107 2_STAR CHEBI:9655 biolink:ChemicalSubstance trazodone hydrochloride A hydrochloride salt prepared from equimolar amounts of trazodone and hydrogen chloride. Reaxys:5688374|CAS:25332-39-2|KEGG:D00820|Beilstein:5688374|DrugBank:DB00656 chebi.json Desyrel|2-(3-(4-(m-Chlorophenyl)-1-piperazinyl)propyl)-s-triazolo(4,3-a)pyridin-3(2H)-one monohydrochloride|2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one hydrochloride|Trazodone HCl http://purl.obolibrary.org/obo/CHEBI_9655 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. CAS:544-12-7|CAS:544-12-7|PMID:25809070|PMID:30042579|AGR:IND606260054 chebi.json hex-3-en-1-ol|3-hexen-1-ol|3-hexenol http://purl.obolibrary.org/obo/CHEBI_145715 3_STAR CHEBI:51452 biolink:ChemicalSubstance endothelin A receptor antagonist A endothelin receptor antagonist is a drug which selectively blocks endothelin A receptors. chebi.json http://purl.obolibrary.org/obo/CHEBI_51452 3_STAR CHEBI:9656 biolink:ChemicalSubstance Tremetone KEGG:C08992|KNApSAcK:C00002412|CAS:4976-25-4 chebi.json Tremetone http://purl.obolibrary.org/obo/CHEBI_9656 2_STAR CHEBI:106108 biolink:ChemicalSubstance N-[[(4S,5S)-8-(3-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide LINCS:LSM-17469 chebi.json http://purl.obolibrary.org/obo/CHEBI_106108 2_STAR CHEBI:145716 biolink:ChemicalSubstance 2-acetylphenol A monohydroxyacetophenone that is acetophenone in which one of the hydrogens ortho to the acetyl group has been replaced by a hydroxy group. FooDB:FDB010500|PMID:30299576|HMDB:HMDB0032568|PMID:31164935|PMID:26203229|CAS:118-93-4|PMID:31261870|CAS:118-93-4 chebi.json o-hydroxyphenyl methyl ketone|1-(2-hydroxyphenyl)ethanone|o-acetylphenol|2'-hydroxyacetophenone|o-hydroxyacetophenone|2-hydroxyphenyl methyl ketone|1-(2-hydroxyphenyl)ethanone|methyl 2-hydroxyphenyl ketone http://purl.obolibrary.org/obo/CHEBI_145716 3_STAR CHEBI:51453 biolink:ChemicalSubstance (S)-carnitinium A carnitinium that is the conjugate acid of (S)-carnitine. Reaxys:4291981|Beilstein:4291981 chebi.json (2S)-3-carboxy-2-hydroxy-N,N,N-trimethylpropan-1-aminium http://purl.obolibrary.org/obo/CHEBI_51453 3_STAR CHEBI:145717 biolink:ChemicalSubstance 1-(2-hydroxy-1-methylethyl)-2,2-dimethylpropyl 2-methylpropanoate chebi.json 1-hydroxy-2,4,4-trimethylpentan-3-yl 2-methylpropanoate http://purl.obolibrary.org/obo/CHEBI_145717 2_STAR CHEBI:9657 biolink:ChemicalSubstance Tremulacin KEGG:C09973|CAS:29836-40-6|LINCS:LSM-5099|KNApSAcK:C00003019 chebi.json Tremulacin http://purl.obolibrary.org/obo/CHEBI_9657 2_STAR CHEBI:51454 biolink:ChemicalSubstance cyclopropanes Cyclopropane and its derivatives formed by substitution. chebi.json http://purl.obolibrary.org/obo/CHEBI_51454 3_STAR CHEBI:106109 biolink:ChemicalSubstance 1-[[(4S,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(3,5-dimethyl-4-isoxazolyl)-1-methylurea LINCS:LSM-17470 chebi.json http://purl.obolibrary.org/obo/CHEBI_106109 2_STAR CHEBI:145718 biolink:ChemicalSubstance 3-hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate A carboxylic ester resulting from the formal condensation of the carboxy group of isobutyric acid with the 1-hydroxy group of 2,4,4-trimethylpentane-1,3-diol. CAS:74367-34-3|AGR:IND44260739|PMID:24820062 chebi.json 2,4,4-trimethyl-1,3-pentanediol 1-isobutyrate|3-hydroxy-2,4,4-trimethylpentyl 2-methylpropanoate|2-methylpropanoic acid 3-hydroxy-2,4,4-trimethylpentyl ester http://purl.obolibrary.org/obo/CHEBI_145718 3_STAR CHEBI:145719 biolink:ChemicalSubstance butyl maleate chebi.json http://purl.obolibrary.org/obo/CHEBI_145719 2_STAR CHEBI:9652 biolink:ChemicalSubstance tranylcypromine A racemate comprising equal amounts of (1R,2S)- and (1S,2R)-2-phenylcyclopropan-1-amine. An irreversible monoamine oxidase inhibitor that is used as an antidepressant (INN tranylcypromine). PMID:15049511|KEGG:D08625|PMID:26257022|CAS:155-09-9|PMID:26348077|PMID:7675827|CAS:155-09-9|PMID:20148560|PMID:26748182|PMID:7511710|PMID:9049597|DrugBank:DB00752|PMID:7531152|Reaxys:3195803|PMID:18974922|PMID:11181487|HMDB:HMDB0014890|PMID:12495786|PDBeChem:TPA|PMID:9829163|PMID:26302763|PMID:26479223|Wikipedia:Tranylcypromine|MetaCyc:CPD-17677|PMID:13948833|KEGG:C07155|PMID:26917855|PMID:8831798|PMID:7236991|PMID:7776254|CAS:155-09-9 chebi.json Tranylcypromine|DL-tranylcypromine|SKF Trans-385|rac-(1R,2S)-2-phenylcyclopropan-1-amine|tranylcypromine|tranylcypromine|tranilcipromina|Racemic Tranylcypromine|Tranylcypromin|SKF 385|trans-2-phenylcyclopropylamine|trans-DL-2-Phenylcyclopropylamine|(1R*,2S*)-2-phenylcyclopropan-1-amine|Transamine|tranylcyprominum|(+-)-trans-2-phenylcyclopropylamine http://purl.obolibrary.org/obo/CHEBI_9652 3_STAR CHEBI:9653 biolink:ChemicalSubstance tranylcypromine sulfate KEGG:D00826|CAS:13492-01-8 chebi.json Parnate|Tranylcypromine sulfate http://purl.obolibrary.org/obo/CHEBI_9653 2_STAR CHEBI:51450 biolink:ChemicalSubstance bosentan LINCS:LSM-5825|Drug_Central:392|DrugBank:DB00559|CAS:147536-97-8|Patent:US2986573|Wikipedia:Bosentan|KEGG:D07538 chebi.json bosentan|4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide|bosentanum|p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide|4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide|bosentan http://purl.obolibrary.org/obo/CHEBI_51450 3_STAR CHEBI:51448 biolink:ChemicalSubstance cis-glycoluril residue chebi.json cis-2,5-dioxodihydroimidazo[4,5-d]imidazole-1,3,4,6(2H,5H)-tetrayl|cis-2,5-dioxodihydroimidazo[4,5-d]imidazole-1,3,4,6-tetrayl http://purl.obolibrary.org/obo/CHEBI_51448 3_STAR CHEBI:51449 biolink:ChemicalSubstance glycoluril residue chebi.json 2,5-dioxodihydroimidazo[4,5-d]imidazole-1,3,4,6(2H,5H)-tetrayl|2,5-dioxodihydroimidazo[4,5-d]imidazole-1,3,4,6-tetrayl group http://purl.obolibrary.org/obo/CHEBI_51449 3_STAR CHEBI:26488 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26488 CHEBI:51444 biolink:ChemicalSubstance organic tetravalent group chebi.json http://purl.obolibrary.org/obo/CHEBI_51444 1_STAR CHEBI:145700 biolink:ChemicalSubstance pyranoindole chebi.json http://purl.obolibrary.org/obo/CHEBI_145700 1_STAR CHEBI:26489 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26489 CHEBI:51445 biolink:ChemicalSubstance organic trivalent group chebi.json http://purl.obolibrary.org/obo/CHEBI_51445 1_STAR CHEBI:145701 biolink:ChemicalSubstance butylscopolamine A carboxylic ester resulting from the formal condensation of the carboxy group of (2S)-3-hydroxy-2-phenylpropanoic acid with the hydroxy group of (2R,4S,5S,7s)-9-butyl-7-hydroxy-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. PMID:30076627|PMID:15586641|DrugBank:DB09300|CAS:7182-53-8|PMID:18049092|PMID:19468628|PMID:11189901|PMID:17039447|Drug_Central:458|PMID:27033592|PMID:27557455|PMID:23869107|PMID:22467253|PMID:22925156 chebi.json N-butylscopolamine|N-butylscopolammonium|N-butylscopolammonium ion|butylscopolammonium|butilescopolamina|(2R,4S,5S,7s)-9-butyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane|N-butylscopolammonium cation http://purl.obolibrary.org/obo/CHEBI_145701 3_STAR CHEBI:51446 biolink:ChemicalSubstance organic divalent group chebi.json http://purl.obolibrary.org/obo/CHEBI_51446 1_STAR CHEBI:145702 biolink:ChemicalSubstance beta-D-Galp-(1->4)-[beta-D-GalpA(-)-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-O[CH2]3NH3(+) A glycoside that is beta-D-Gal-(1->4)-[beta-D-GalA(-)-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc in which the hydroxy group at the reducing-end anomeric centre is replaced by a 3-azaniumylpropyl group. PMID:31546911 chebi.json 3-ammoniopropyl beta-D-galactosyl-(1->4)-[beta-D-galacturonosyl-(1->4)-beta-D-glucosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucoside|beta-D-GalA(-)-(1->4)-beta-D-Glc-(1->6)-[beta-D-Gal-(1->4)]-beta-D-GlcNAc-O[CH2]3NH3(+)|3-azaniumylpropyl 2-acetamido-4-O-beta-D-galactopyranosyl-6-O-[4-O-(beta-D-galactopyranosyl uronate)-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside|GalA(-)beta1-4Glcbeta1-6(Galbeta1-4)GlcNAcbetaO[CH2]3NH3(+)|Galbeta1-4(GalA(-)beta1-4Glcbeta1-6)GlcNAcbetaO[CH2]3NH3(+)|3-azaniumylpropyl beta-D-galactosyl-(1->4)-[beta-D-galacturonosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminide|3-ammoniopropyl 2-acetamido-4-O-beta-D-galactopyranosyl-6-O-[4-O-(beta-D-galactopyranosyl uronate)-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside|beta-D-GalpA(-)-(1->4)-beta-D-Glcp-(1->6)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-O[CH2]3NH3(+)|beta-D-Gal-(1->4)-[beta-D-GalA(-)-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc-O[CH2]3NH3(+)|3-{[beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranuronosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl]oxy}propan-1-aminium|3-ammoniumpropyl 2-acetamido-4-O-beta-D-galactopyranosyl-6-O-[4-O-(beta-D-galactopyranosyl uronate)-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_145702 3_STAR CHEBI:51447 biolink:ChemicalSubstance organic univalent group chebi.json http://purl.obolibrary.org/obo/CHEBI_51447 1_STAR CHEBI:26485 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26485 CHEBI:26486 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26486 CHEBI:26487 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26487 CHEBI:26480 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26480 CHEBI:26481 biolink:ChemicalSubstance quercetin bissulfate chebi.json quercetin bissulfates|quercetin bissulfate http://purl.obolibrary.org/obo/CHEBI_26481 3_STAR CHEBI:106140 biolink:ChemicalSubstance N-[[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N,1-dimethyl-4-imidazolesulfonamide LINCS:LSM-17501 chebi.json http://purl.obolibrary.org/obo/CHEBI_106140 2_STAR CHEBI:26482 biolink:ChemicalSubstance quercetin sulfate chebi.json quercetin sulfate|quercetin sulfates http://purl.obolibrary.org/obo/CHEBI_26482 3_STAR CHEBI:26483 biolink:ChemicalSubstance quercetin trissulfate chebi.json quercetin trissulfates|quercetin trissulfate http://purl.obolibrary.org/obo/CHEBI_26483 3_STAR CHEBI:106141 biolink:ChemicalSubstance N-[[(4S,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide LINCS:LSM-17502 chebi.json http://purl.obolibrary.org/obo/CHEBI_106141 2_STAR CHEBI:9629 biolink:ChemicalSubstance tomatidine A 3beta-hydroxy steroid resulting from the substitution of the 3beta-hydrogen of tomatidane by a hydroxy group. CAS:77-59-8|PMID:21357296|KEGG:C10826|Beilstein:91747|KNApSAcK:C00002267|Patent:US2770618|PMID:6056488|Reaxys:91747|CAS:77-59-8|PMID:18544347|PMID:5704163|CAS:77-59-8 chebi.json 5alpha-tomatidan-3beta-ol|Tomatidine|(22S,25S)-5alpha-spirosolan-3beta-ol|(3beta,5alpha,22beta,25S)-spirosolan-3-ol|Tomatidin http://purl.obolibrary.org/obo/CHEBI_9629 3_STAR CHEBI:106131 biolink:ChemicalSubstance (2R)-2-[(4R,5R)-8-(2-cyclohexylethynyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17492 chebi.json http://purl.obolibrary.org/obo/CHEBI_106131 2_STAR CHEBI:106132 biolink:ChemicalSubstance N-[[(2R,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide LINCS:LSM-17493 chebi.json http://purl.obolibrary.org/obo/CHEBI_106132 2_STAR CHEBI:106133 biolink:ChemicalSubstance (2R,3S)-8-(2-benzofuranyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17494 chebi.json http://purl.obolibrary.org/obo/CHEBI_106133 2_STAR CHEBI:106134 biolink:ChemicalSubstance N-[[(4R,5R)-8-bromo-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide LINCS:LSM-17495 chebi.json http://purl.obolibrary.org/obo/CHEBI_106134 2_STAR CHEBI:26490 biolink:ChemicalSubstance quinate A cyclitol carboxylic acid anion that is conjugate base of quinic acid. chebi.json http://purl.obolibrary.org/obo/CHEBI_26490 3_STAR CHEBI:9625 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9625 CHEBI:106135 biolink:ChemicalSubstance N-[[(4S,5S)-8-(4-cyanophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-2-methoxy-N-methylacetamide LINCS:LSM-17496 chebi.json http://purl.obolibrary.org/obo/CHEBI_106135 2_STAR CHEBI:9626 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9626 CHEBI:106136 biolink:ChemicalSubstance N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(2-phenylethynyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylpropanamide LINCS:LSM-17497 chebi.json http://purl.obolibrary.org/obo/CHEBI_106136 2_STAR CHEBI:9627 biolink:ChemicalSubstance Tolylacetate HMDB:HMDB0032075|CAS:140-39-6|KEGG:C01963 chebi.json Tolylacetate|p-Tolyacetate|p-Cresyl acetate http://purl.obolibrary.org/obo/CHEBI_9627 2_STAR CHEBI:106137 biolink:ChemicalSubstance (2S)-2-[(4S,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17498 chebi.json http://purl.obolibrary.org/obo/CHEBI_106137 2_STAR CHEBI:9628 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9628 CHEBI:106138 biolink:ChemicalSubstance N-[[(2R,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide LINCS:LSM-17499 chebi.json http://purl.obolibrary.org/obo/CHEBI_106138 2_STAR CHEBI:106139 biolink:ChemicalSubstance LSM-17500 LINCS:LSM-17500 chebi.json http://purl.obolibrary.org/obo/CHEBI_106139 2_STAR CHEBI:9621 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9621 CHEBI:145703 biolink:ChemicalSubstance beta-D-Galp6N(+)-(1->4)-[beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-OMe A methyl glycoside that is beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc in which the hydroxy group at position 6 of the galactose residue linked to O-4 of the reducing end glucosyl residue is replaced by an ammoniumyl group and the hydroxy group at the reducing-end anomeric centre is methylated. PMID:31546911 chebi.json beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-[beta-D-Galp6N(+)-(1->4)]-beta-D-GlcpNAc-OMe|beta-D-Gal6N(+)-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc-OMe|methyl beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->6)-[6-ammonio-6-deoxy-beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminide|methyl 6-ammonio-6-deoxy-beta-D-galactosyl-(1->4)-[beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminide|beta-D-Gal-(1->4)-beta-D-Glc-(1->6)-[beta-D-Gal6N(+)-(1->4)]-beta-D-GlcNAc-OMe|methyl 6-azaniumyl-6-deoxy-beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranoside|methyl 2-acetamido-4-O-(6-azaniumyl-6-deoxy-beta-D-galactopyranosyl)-6-O-[4-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside|Galbeta1-4Glcbeta1-6(Gal6N(+)beta1-4)GlcNAcbetaOMe|Gal6N(+)beta1-4(Galbeta1-4Glcbeta1-6)GlcNAcbetaOMe http://purl.obolibrary.org/obo/CHEBI_145703 3_STAR CHEBI:51440 biolink:ChemicalSubstance L-isoascorbic acid Beilstein:84274 chebi.json L-Isoascorbinsaeure|(5S)-5-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one|L-araboascorbic acid|L-erythro-hex-2-enono-1,4-lactone http://purl.obolibrary.org/obo/CHEBI_51440 3_STAR CHEBI:51441 biolink:ChemicalSubstance cucurbit[5]uril--cucurbit[10]uril Beilstein:10773873 chebi.json cucurbit[5]uril--cucurbit[10]uril complex (1:1) http://purl.obolibrary.org/obo/CHEBI_51441 3_STAR CHEBI:145704 biolink:ChemicalSubstance beta-D-Galp6N(+)-(1->4)-[beta-D-GalpA(-)-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-OMe A methyl glycoside that is beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc in which the CH2OH of the galactose within the trisaccharide chain is replaced by anionic carboxylate, the hydroxy group at position 6 of the galactose residue linked to O-4 of the reducing end glucosaminyl residue is replaced by an ammoniumyl group and the hydroxy group at the reducing-end anomeric centre is methylated. PMID:31546911 chebi.json methyl 2-acetamido-4-O-(6-ammonio-6-deoxy-beta-D-galactopyranosyl)-6-O-[4-O-(beta-D-galactopyranosyl uronate)-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranoside|beta-D-Gal6N(+)-(1->4)-[beta-D-GalA(-)-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc-OMe|methyl 6-ammonio-6-deoxy-beta-D-galactosyl-(1->4)-[beta-D-galacturonosyl-(1->4)-beta-D-glucosyl-(1->6)]-N-acetyl-beta-D-glucosaminide|GalA(-)beta1-4Glcbeta1-6(Gal6N(+)beta1-4)GlcNAcbetaOMe|beta-D-GalA(-)-(1->4)-beta-D-Glc-(1->6)-[beta-D-Gal6N(+)-(1->4)]-beta-D-GlcNAc-OMe|Gal6N(+)beta1-4(GalA(-)beta1-4Glcbeta1-6)GlcNAcbetaOMe|beta-D-GalpA(-)-(1->4)-beta-D-Glcp-(1->6)-[beta-D-Galp6N(+)-(1->4)]-beta-D-GlcpNAc-OMe|methyl 6-azaniumyl-6-deoxy-beta-D-galactopyranosyl-(1->4)-[beta-D-galactopyranuronosyl-(1->4)-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranoside|methyl 6-ammonio-6-deoxy-beta-D-galactosyl-(1->4)-[beta-D-galacturonosyl-(1->4)-beta-D-glucosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_145704 3_STAR CHEBI:9622 biolink:ChemicalSubstance tolterodine LINCS:LSM-5645|Beilstein:8070733|DrugBank:DB01036|CAS:124937-51-5|Patent:US5382600|KEGG:C07750|Wikipedia:Tolterodine|Patent:EP325571|KEGG:D00646|Drug_Central:2705 chebi.json tolterodinum|2-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-methylphenol|Tolterodine|(+)-Tolterodine|tolterodine|(+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresol|tolterodina http://purl.obolibrary.org/obo/CHEBI_9622 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|PMID:5090826|PMID:26319748|PMID:15802017|PMID:13783671|PMID:30547315|PMID:25791805|PMID:18283332|DrugBank:DB14631|PMID:21896328|PMID:31578578|Drug_Central:4451 chebi.json 11beta,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl dihydrogen phosphate|prednisolone 21-monophosphate|prednisolone 21-(dihydrogen phosphate)|prednisolone 21-phosphate http://purl.obolibrary.org/obo/CHEBI_145705 3_STAR CHEBI:9623 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9623 CHEBI:51442 biolink:ChemicalSubstance perhydroxycucurbit[6]uril Beilstein:9544391 chebi.json http://purl.obolibrary.org/obo/CHEBI_51442 3_STAR CHEBI:9624 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9624 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. chebi.json 11beta,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl phosphate http://purl.obolibrary.org/obo/CHEBI_145706 3_STAR CHEBI:51443 biolink:ChemicalSubstance substituted cucurbituril chebi.json http://purl.obolibrary.org/obo/CHEBI_51443 1_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. chebi.json glycosylarabinoses http://purl.obolibrary.org/obo/CHEBI_145707 3_STAR CHEBI:145708 biolink:ChemicalSubstance beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-OR Any glycoside derived from dimeric Lewis X {beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc}. PMID:31666308 chebi.json 6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranoside|alpha-L-fucosyl-(1->3)-[alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucosyl-(1->3)-beta-D-galactosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucoside|alpha-L-fucosyl-(1->3)-[alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminide|alpha-L-fucopyranosyl-(1->3)-[alpha-L-fucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranoside|DimLe(x)|dimeric Lewis X hexasaccharide|dimeric Lewis X|R-yl beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc|beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-OR http://purl.obolibrary.org/obo/CHEBI_145708 3_STAR CHEBI:145709 biolink:ChemicalSubstance alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-Glcp-OMe A methyl glycoside that is alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-Glcp (LacLe(x)) in which the hydroxy group at the reducing-end anomeric centre is methylated. PMID:31666308 chebi.json Fucalpha1-3(Galbeta1-4)GlcbetaOMe|methyl alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->4)]-beta-D-glucoside|methyl alpha-L-fucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-beta-D-glucopyranoside|methyl 6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-beta-D-glucopyranoside|LacLe(x)OMe|alpha-L-Fuc-(1->3)-[beta-D-Gal-(1->4)]-beta-D-Glc-OMe http://purl.obolibrary.org/obo/CHEBI_145709 3_STAR CHEBI:9620 biolink:ChemicalSubstance tolnaftate A monothiocarbamic ester that is the methyl(3-tolyl)carbamothioate ester of 2-naphthol. A synthetic anti-fungal agent used to treat jock itch, athlete's foot and ringworm. LINCS:LSM-5554|CAS:2398-96-1|DrugBank:DB00525|CAS:2398-96-1|PMID:5745067|PMID:20635527|Drug_Central:3617|PMID:24706116|Patent:WO2010037089|Wikipedia:Tolnaftate|PMID:4568708|PMID:2061794|PMID:5952516|Patent:US2010035939|PMID:5847820|PMID:5319027|HMDB:HMDB0005005|CAS:2398-96-1|PMID:5856396|PMID:5705341|PMID:22125963|PMID:21565546|PMID:3509341|Reaxys:2752620|KEGG:D00381|PMID:20347664|PMID:697362 chebi.json tolnaftatum|N-methyl-N-(3-methylphenyl)-1-(naphthalen-2-yloxy)methanethioamide|tolnaftate|Methyl (3-methylphenyl)carbamothioic acid O-2-naphthalenyl ester|m,N-Dimethylthiocarbanilic acid O-2-naphthyl ester|2-Naphthyl N-methyl-N-(3-tolyl)thionocarbamate|Tinactin|O-2-naphthyl methyl(3-methylphenyl)carbamothioate|tolnaftato|tolnaftate|Separin|Tolnaphthate|O-2-Naphthyl m,N-dimethylthiocarbanilate http://purl.obolibrary.org/obo/CHEBI_9620 3_STAR CHEBI:51437 biolink:ChemicalSubstance cucurbituril clathrate chebi.json cucurbituril clathrates http://purl.obolibrary.org/obo/CHEBI_51437 3_STAR CHEBI:51438 biolink:ChemicalSubstance D-isoascorbic acid Beilstein:84271|CAS:89-65-6 chebi.json (5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one|Isoascorbic acid|D-Araboascorbic acid|D-erythro-hex-2-enono-1,4-lactone|D-Erythorbic acid|Araboascorbic acid|Isovitamin C|D-erythro-hex-2-enonic acid gamma-lactone|Erythorbic acid http://purl.obolibrary.org/obo/CHEBI_51438 3_STAR CHEBI:51439 biolink:ChemicalSubstance cucurbit[10]uril Beilstein:10773716 chebi.json CB[10] http://purl.obolibrary.org/obo/CHEBI_51439 3_STAR CHEBI:51433 biolink:ChemicalSubstance cucurbit[8]uril Beilstein:8895183|Gmelin:1667104 chebi.json CB[8] http://purl.obolibrary.org/obo/CHEBI_51433 3_STAR CHEBI:26499 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26499 CHEBI:51434 biolink:ChemicalSubstance cucurbit[7]uril Beilstein:9038507|Gmelin:2047207 chebi.json CB[7] http://purl.obolibrary.org/obo/CHEBI_51434 3_STAR CHEBI:51435 biolink:ChemicalSubstance cucurbit[5]uril Beilstein:9036846|Gmelin:2632103 chebi.json CB[5] http://purl.obolibrary.org/obo/CHEBI_51435 3_STAR CHEBI:51436 biolink:ChemicalSubstance cucurbit[7]uril--oxaliplatin chebi.json cucurbit[7]uril--oxaliplatin complex (1:1) http://purl.obolibrary.org/obo/CHEBI_51436 3_STAR CHEBI:26495 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26495 CHEBI:26496 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26496 CHEBI:26497 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26497 CHEBI:26491 biolink:ChemicalSubstance quinhydrone Gmelin:253527|CAS:106-34-3|CAS:106-34-3|Beilstein:3919222 chebi.json Chinhydron|p-benzoquinhydrone|green hydroquinone|cyclohexa-2,5-diene-1,4-dione--benzene-1,4-diol (1:1)|p-benzoquinone--hydroquinone compound (1:1) http://purl.obolibrary.org/obo/CHEBI_26491 3_STAR CHEBI:26492 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26492 CHEBI:26493 biolink:ChemicalSubstance quinic acid A cyclitol carboxylic acid. PMID:23590498|PMID:15589483|PMID:19952409 chebi.json http://purl.obolibrary.org/obo/CHEBI_26493 3_STAR CHEBI:26494 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26494 CHEBI:106130 biolink:ChemicalSubstance N-[[(4S,5S)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide LINCS:LSM-17491 chebi.json http://purl.obolibrary.org/obo/CHEBI_106130 2_STAR CHEBI:106120 biolink:ChemicalSubstance 4-fluoro-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide LINCS:LSM-17481 chebi.json http://purl.obolibrary.org/obo/CHEBI_106120 2_STAR CHEBI:106121 biolink:ChemicalSubstance 1-[[(2R,3R)-8-(1-cyclopentenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea LINCS:LSM-17482 chebi.json http://purl.obolibrary.org/obo/CHEBI_106121 2_STAR CHEBI:106122 biolink:ChemicalSubstance LSM-17483 LINCS:LSM-17483 chebi.json http://purl.obolibrary.org/obo/CHEBI_106122 2_STAR CHEBI:106123 biolink:ChemicalSubstance (2S)-2-[(4S,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17484 chebi.json http://purl.obolibrary.org/obo/CHEBI_106123 2_STAR CHEBI:9636 biolink:ChemicalSubstance Toremifene citrate CAS:89778-27-8|KEGG:D00967 chebi.json Fareston (TN)|Toremifene citrate http://purl.obolibrary.org/obo/CHEBI_9636 2_STAR CHEBI:106124 biolink:ChemicalSubstance N-[[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide LINCS:LSM-17485 chebi.json http://purl.obolibrary.org/obo/CHEBI_106124 2_STAR CHEBI:9637 biolink:ChemicalSubstance torasemide An N-sulfonylurea obtained by formal condensation of [(3-methylphenyl)amino]pyridine-3-sulfonic acid with the free amino group of N-isopropylurea. It is a potent loop diuretic used for the treatment of hypertension and edema in patients with congestive heart failure. PMID:32302808|CAS:56211-40-6|PMID:32098657|PMID:24243991|PMID:24432564|PMID:23792294|Reaxys:498515|PMID:22364690|PMID:23837587|PMID:31436024|PMID:22407343|PMID:30827731|DrugBank:DB00214|PMID:28891228|PMID:24040049|PMID:24554915|PMID:31124957|CAS:56211-40-6|PMID:23237447|PMID:23013124|Drug_Central:2708|PMID:29488197|PMID:23877845|PMID:21391491|PMID:32411731|KEGG:D00382|PMID:31699358|PMID:22030290|PMID:21906812|LINCS:LSM-2662|PMID:31809955|PMID:30649675|Wikipedia:Torasemide|HMDB:HMDB0014359|PMID:24367917 chebi.json Torsemide|BM02015|Unat|N-(((1-methylethyl)amino)carbonyl)-4-((3-methylphenyl)amino)-3-pyridinesulfonamide|AC 4464|N-[(propan-2-yl)carbamoyl]-4-[(3-methylphenyl)amino]pyridine-3-sulfonamide|Demadex|BM-02.015|AC-4464|4-(3-methylanilino)-N-(propan-2-ylcarbamoyl)pyridine-3-sulfonamide|torasemide|torasemida|1-isopropyl-3-((4-m-toluidino-3-pyridyl)sulfonyl)urea|JDL 464|AC4464|Luprac|BM 02015|torasemidum|BM-02015|BM02.015|Torem|JDL-464|N-(isopropylcarbamoyl)-4-[(3-methylphenyl)amino]pyridine-3-sulfonamide http://purl.obolibrary.org/obo/CHEBI_9637 3_STAR CHEBI:106125 biolink:ChemicalSubstance (2R,3R)-8-(3-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17486 chebi.json http://purl.obolibrary.org/obo/CHEBI_106125 2_STAR CHEBI:9638 biolink:ChemicalSubstance torulene A carotene that is beta,psi-carotene which has been been dehydrogenated to introduce an (E)-double bond at the 3'-4' position. PMID:1475263|PMID:17898860|PMID:17610084|CAS:547-23-9|CAS:547-23-9|KNApSAcK:C00003786|PMID:18812228|KEGG:C08613|PMID:18982370|MetaCyc:CPD-7953|PMID:20002186|PMID:15168092|Reaxys:2489040|PMID:17493127 chebi.json torulene|(3'E)-3',4'-didehydro-beta,psi-carotene http://purl.obolibrary.org/obo/CHEBI_9638 3_STAR CHEBI:106126 biolink:ChemicalSubstance LSM-17487 LINCS:LSM-17487 chebi.json http://purl.obolibrary.org/obo/CHEBI_106126 2_STAR CHEBI:9639 biolink:ChemicalSubstance Tos-Arg-CH2Cl KEGG:C02087 chebi.json Tos-Arg-CH2Cl http://purl.obolibrary.org/obo/CHEBI_9639 2_STAR CHEBI:106127 biolink:ChemicalSubstance 1-[[(2S,3S)-8-(2-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea LINCS:LSM-17488 chebi.json http://purl.obolibrary.org/obo/CHEBI_106127 2_STAR CHEBI:9632 biolink:ChemicalSubstance Toonacilin KEGG:C08785|CAS:66610-71-7|KNApSAcK:C00003733 chebi.json Toonacilin http://purl.obolibrary.org/obo/CHEBI_9632 2_STAR CHEBI:106128 biolink:ChemicalSubstance (2R)-2-[(4S,5R)-5-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17489 chebi.json http://purl.obolibrary.org/obo/CHEBI_106128 2_STAR CHEBI:106129 biolink:ChemicalSubstance 4-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide LINCS:LSM-17490 chebi.json http://purl.obolibrary.org/obo/CHEBI_106129 2_STAR CHEBI:9633 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9633 CHEBI:51430 biolink:ChemicalSubstance cucurbiturils Compounds based on cucurbituril skeleton. chebi.json Cucurbiturile|cucurbituriles|cucurbiturilos http://purl.obolibrary.org/obo/CHEBI_51430 3_STAR CHEBI:51431 biolink:ChemicalSubstance cucurbituril A macrocycle consisting of repeating 2,5-dioxodihydroimidazo[4,5-d]imidazole-1,3,4,6-tetrayl (glycoluril) units linked by methylene groups. The number of glycoluril units in the macrocycle is denoted by the "n" in cucurbit[n]uril name. chebi.json CB[n]|cucurbit[n]urils|cucurbiturilo|cucurbit[n]uril|cucurbiturile http://purl.obolibrary.org/obo/CHEBI_51431 3_STAR CHEBI:9634 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9634 CHEBI:9635 biolink:ChemicalSubstance toremifene Drug_Central:2709|KEGG:D08620|DrugBank:DB00539|Patent:EP95875|Patent:US4696949|CAS:89778-26-7|KEGG:C08166|Wikipedia:Toremifene|CAS:89778-26-7 chebi.json toremifene|toremifenum|toremifeno|2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}-N,N-dimethylethanamine http://purl.obolibrary.org/obo/CHEBI_9635 3_STAR CHEBI:51432 biolink:ChemicalSubstance cucurbit[6]uril Beilstein:4933186|CAS:80262-44-8|Gmelin:1445227|Gmelin:1445189 chebi.json cucurbituril|CB[6]|dodecahydro-1H,4H,14H,17H-2,16:3,15-dimethano-5H,6H,7H,8H,9H,10H,11H,12H,13H,18H,19H,20H,21H,22H,23H,24H,25H,26H-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,15,16,17a,18a,19a,20a,21a,22a,23a,24a,25a,26a-tetracosaazabispentaleno[1''',6''':5'',6'',7'']cycloocta[1'',2'',3'':3',4']pentaleno(1',6':5,6,7)cycloocta(1,2,3-gh:1',2',3'-g'h')cycloocta(1,2,3-cd:5,6,7-c'd')dipentalene-1,4,6,8,10,12,14,17,19,21,23,25-dodecone http://purl.obolibrary.org/obo/CHEBI_51432 3_STAR CHEBI:9630 biolink:ChemicalSubstance tomatine A steroid alkaloid that is tomatidine in which the hydroxy group at position 3 is linked to lycotetraose, a tetrasaccharide composed of two units of D-glucose, one unit of D-xylose, and one unit of D-galactose. PMID:19514731|Reaxys:78250|CAS:17406-45-0|LIPID_MAPS_instance:LMST01150015|Wikipedia:Tomatine|CAS:17406-45-0|PMID:23448507|PMID:21541327|PMID:25772114|PMID:20300588|PMID:17979099|Beilstein:78250|KEGG:C10827|HMDB:HMDB0034103|PMID:17585910|PMID:19457446|KNApSAcK:C00002268|PMID:21264526 chebi.json (3beta,5alpha,22beta,25S)-spirosolan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-xylopyranosyl)-(1->3)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside|Tomatine|lycopersicin|Tomatin|(22S,25S)-5alpha-spirosolan-3beta-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside|A''-Tomatidine|alpha-tomatine http://purl.obolibrary.org/obo/CHEBI_9630 3_STAR CHEBI:9631 biolink:ChemicalSubstance Tomentosin KNApSAcK:C00003376|CAS:33649-15-9|KEGG:C09562 chebi.json Tomentosin http://purl.obolibrary.org/obo/CHEBI_9631 2_STAR CHEBI:51426 biolink:ChemicalSubstance pyrrole-3,4-diyl group chebi.json 1H-pyrrole-3,4-diyl http://purl.obolibrary.org/obo/CHEBI_51426 3_STAR CHEBI:9690 biolink:ChemicalSubstance tricholomic acid CAS:2644-49-7|KNApSAcK:C00001395|KEGG:C08298|CAS:2644-49-7 chebi.json alpha-Amino-3-oxo-5-isoxazolidineacetic acid|(2S)-amino[(5S)-3-oxoisoxazolidin-5-yl]acetic acid|Tricholomic acid http://purl.obolibrary.org/obo/CHEBI_9690 3_STAR CHEBI:51427 biolink:ChemicalSubstance furandiyl group chebi.json furandiyl http://purl.obolibrary.org/obo/CHEBI_51427 3_STAR CHEBI:9691 biolink:ChemicalSubstance Trichostachine HMDB:HMDB0029374|KNApSAcK:C00002076|KEGG:C10174|CAS:25924-78-1 chebi.json Trichostachine http://purl.obolibrary.org/obo/CHEBI_9691 2_STAR CHEBI:51428 biolink:ChemicalSubstance furan-2,5-diyl group chebi.json furan-2,5-diyl http://purl.obolibrary.org/obo/CHEBI_51428 3_STAR CHEBI:9692 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9692 CHEBI:9693 biolink:ChemicalSubstance Trichotomine KNApSAcK:C00001777|CAS:53472-14-3|KEGG:C09247 chebi.json Trichotomine http://purl.obolibrary.org/obo/CHEBI_9693 2_STAR CHEBI:51429 biolink:ChemicalSubstance furan-3,4-diyl group chebi.json furan-3,4-diyl http://purl.obolibrary.org/obo/CHEBI_51429 3_STAR CHEBI:26466 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26466 CHEBI:51422 biolink:ChemicalSubstance organodiyl group Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s). chebi.json organodiyl groups http://purl.obolibrary.org/obo/CHEBI_51422 3_STAR CHEBI:51423 biolink:ChemicalSubstance dihydroxyphenylene group chebi.json dihydroxybenzenediyl http://purl.obolibrary.org/obo/CHEBI_51423 3_STAR CHEBI:51424 biolink:ChemicalSubstance 1H-pyrrolediyl group chebi.json 1H-pyrrolediyl http://purl.obolibrary.org/obo/CHEBI_51424 3_STAR CHEBI:26468 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26468 CHEBI:51425 biolink:ChemicalSubstance pyrrole-2,5-diyl group chebi.json 1H-pyrrole-2,5-diyl http://purl.obolibrary.org/obo/CHEBI_51425 3_STAR CHEBI:26469 biolink:ChemicalSubstance quaternary nitrogen compound A nitrogen molecular entity that is electronically neutral but which contains a quaternary nitrogen. chebi.json http://purl.obolibrary.org/obo/CHEBI_26469 3_STAR CHEBI:26462 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26462 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. chebi.json pyruvate family amino acids http://purl.obolibrary.org/obo/CHEBI_26463 3_STAR CHEBI:26464 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26464 CHEBI:26460 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26460 CHEBI:26461 biolink:ChemicalSubstance pyrroloquinoline cofactor COMe:MOL000075 chebi.json http://purl.obolibrary.org/obo/CHEBI_26461 3_STAR CHEBI:9687 biolink:ChemicalSubstance Trichocarpin KEGG:C10835|KNApSAcK:C00002677|CAS:10590-85-9 chebi.json Trichocarpin http://purl.obolibrary.org/obo/CHEBI_9687 2_STAR CHEBI:9688 biolink:ChemicalSubstance trichodermin A tetracyclic spiroepoxide which acts as an antifungal and protein synthesis inhibitor. Patent:NL302527|CAS:4682-50-2|KNApSAcK:C00003195|KEGG:C09741|PMID:4750433|CAS:4682-50-2|PMID:6757231|Beilstein:6868411 chebi.json 12,13-Epoxytrichothec-9-en-4-ol acetate|(4beta,12R)-12,13-epoxytrichothec-9-en-4-yl acetate http://purl.obolibrary.org/obo/CHEBI_9688 3_STAR CHEBI:51420 biolink:ChemicalSubstance 2,8,14,20-tetrapentylcalixresorc[4]arene Beilstein:4226229 chebi.json 2,8,14,20-tetrapentylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol http://purl.obolibrary.org/obo/CHEBI_51420 3_STAR CHEBI:9689 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9689 CHEBI:51421 biolink:ChemicalSubstance 4,6-dihydroxy-1,3-phenylene group chebi.json 4,6-dihydroxybenzene-1,3-diyl http://purl.obolibrary.org/obo/CHEBI_51421 3_STAR CHEBI:9683 biolink:ChemicalSubstance trichlormethiazide A benzothiadiazine, hydrogenated at positions 2, 3 and 4 and substituted with an aminosulfonyl group at C-7, a chloro substituent at C-6 and a dichloromethyl group at C-3 and with S-1 as an S,S-dioxide. A sulfonamide antibiotic, it is used as a diuretic to treat oedema (including that associated with heart failure) and hypertension. LINCS:LSM-4383|CAS:133-67-5|Wikipedia:Trichlormethiazide|KEGG:D00658|PMID:25692026|DrugBank:DB01021|PMID:29438107|PMID:24678944|KEGG:C07767|PMID:21605415|Drug_Central:2733|PMID:28089902|PMID:28166217|PMID:25938807|CAS:133-67-5 chebi.json 6-chloro-3-(dichloromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide|trichlormethiazide|trichlormethiazidum|triclormetiazida|hydrotrichlorothiazide http://purl.obolibrary.org/obo/CHEBI_9683 3_STAR CHEBI:9684 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9684 CHEBI:9685 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9685 CHEBI:9686 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9686 CHEBI:51415 biolink:ChemicalSubstance calixresorc[4]arene Beilstein:6675733 chebi.json calix[4]resorcinarene|pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-4,6,10,12,16,18,22,24-octol http://purl.obolibrary.org/obo/CHEBI_51415 3_STAR CHEBI:51416 biolink:ChemicalSubstance calixresorcarene A macrocycle composed of 4,6-dihydroxy-1,3-phenylene groups linked by methylene groups. The number of 4,6-dihydroxy-1,3-phenylene units in the macrocycle is denoted by the "n" in calixresorc[n]arene. chebi.json calixresorcinarene|calixresorc[n]arene http://purl.obolibrary.org/obo/CHEBI_51416 3_STAR CHEBI:51417 biolink:ChemicalSubstance calixresorcarenes Compounds containing a calixresorcarene skeleton. chebi.json resorcinarene|resorcarene|calixresorcinarenes http://purl.obolibrary.org/obo/CHEBI_51417 3_STAR CHEBI:51418 biolink:ChemicalSubstance calixresorc[6]arene chebi.json heptacyclo[31.3.1.1(3,7).1(9,13).1(15,19).1(21,25).1(27,31)]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-4,6,10,12,16,18,22,24,28,30,34,36-dodecol http://purl.obolibrary.org/obo/CHEBI_51418 3_STAR CHEBI:51411 biolink:ChemicalSubstance circumbiphenyl CAS:41163-25-1|CAS:41163-25-1|Beilstein:2341984 chebi.json naphth[2',1',8',7':4,10,5]anthra[1,9,8-abcd]coronene|naphtho[7',8',1',2':5,10,4]anthra[1,9,8-abcd]coronene http://purl.obolibrary.org/obo/CHEBI_51411 3_STAR CHEBI:26477 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26477 CHEBI:51412 biolink:ChemicalSubstance circumanthracene Beilstein:2491635 chebi.json phenanthro[3,4,5,6-bcdef]ovalene http://purl.obolibrary.org/obo/CHEBI_51412 3_STAR CHEBI:26478 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26478 CHEBI:51413 biolink:ChemicalSubstance circumtrindene Beilstein:7604302 chebi.json triacenaphtho[3,2,1,8-cdefg:3',2',1',8'-ijklm:3'',2'',1'',8''-opqra]triphenylene http://purl.obolibrary.org/obo/CHEBI_51413 3_STAR CHEBI:26479 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26479 CHEBI:51414 biolink:ChemicalSubstance hexacyclopentacoronene Beilstein:6445592|CAS:96928-78-8 chebi.json hexacyclopenta[bc,ef,hi,kl,no,qr]coronene http://purl.obolibrary.org/obo/CHEBI_51414 3_STAR CHEBI:26473 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26473 CHEBI:26474 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26474 CHEBI:26475 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26475 CHEBI:26476 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26476 CHEBI:51419 biolink:ChemicalSubstance substituted calixresorcarene chebi.json http://purl.obolibrary.org/obo/CHEBI_51419 1_STAR CHEBI:26470 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26470 CHEBI:26471 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26471 CHEBI:26472 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26472 CHEBI:9698 biolink:ChemicalSubstance Tricyclodehydroisohumulone CAS:56143-68-1|KNApSAcK:C00002709|Beilstein:2422131|KEGG:C10723 chebi.json Tricyclodehydroisohumulone http://purl.obolibrary.org/obo/CHEBI_9698 2_STAR CHEBI:9699 biolink:ChemicalSubstance tridec-1-ene-3,5,7,9,11-pentayne A pentayne that is tridecane which carries a double bond at position 1 and triple bonds at positions 3,5,7,9 and 11. It is a natural product which exhibits ovicidal and nematicidal activities. PMID:26009695|HMDB:HMDB0035400|Chemspider:390227|PMID:22474978|KNApSAcK:C00001298|CAS:2060-59-5|FooDB:FDB014075|PMID:14252071|KEGG:C08464|PMID:10821050|PMID:32226639 chebi.json 1-tridecene-3,5,7,9,11-pentayne|tridec-1-ene-3,5,7,9,11-pentayne|1-tridecen-3,5,7,9,11-pentayne|1-tridecene-3,5,7,9,11-pentyne http://purl.obolibrary.org/obo/CHEBI_9699 3_STAR CHEBI:51410 biolink:ChemicalSubstance quaterrylene Beilstein:2067271|CAS:188-73-8|CAS:188-73-8 chebi.json benzo[5,10]anthra[9,1,2-cde]dibenzo[kl,rst]pentaphene|benzo[10,5]anthra[9,1,2-cde]dibenzo[kl,rst]pentaphene|benzo[1,2,3-cd:4,5,6-c'd']diperylene http://purl.obolibrary.org/obo/CHEBI_51410 3_STAR CHEBI:9694 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9694 CHEBI:9695 biolink:ChemicalSubstance Triclofos CAS:306-52-5|KEGG:D08634|Drug_Central:2735|KEGG:C07165 chebi.json trichlophos|trichloroethyl phosphate|Triclofos|triclofos sodium|trichloroethyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_9695 2_STAR CHEBI:9696 biolink:ChemicalSubstance Tricornine KEGG:C08715|CAS:26871-60-3|KNApSAcK:C00001671 chebi.json Tricornine http://purl.obolibrary.org/obo/CHEBI_9696 2_STAR CHEBI:9697 biolink:ChemicalSubstance Tricrozarin A CAS:107817-60-7|KEGG:C10406|KNApSAcK:C00002865 chebi.json Tricrozarin A http://purl.obolibrary.org/obo/CHEBI_9697 2_STAR CHEBI:51404 biolink:ChemicalSubstance calixfuran A macrocycle composed of furan-2,5-diyl groups linked by methylene groups. The number of furan-2,5-diyl units in the macrocycle is denoted by the "n" in calix[n]furan name. chebi.json calix[n]furan|calix[n]furans http://purl.obolibrary.org/obo/CHEBI_51404 3_STAR CHEBI:26448 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26448 CHEBI:51405 biolink:ChemicalSubstance calixfurans Compounds containing a calixfuran skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51405 3_STAR CHEBI:26449 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26449 CHEBI:9670 biolink:ChemicalSubstance Triamcinolone hexacetonide KEGG:C08185|CAS:5611-51-8|Drug_Central:4976|KEGG:D00985 chebi.json hexatrione|aristospan|CL 34433|Triamcinolone hexacetonide|CL-34433 http://purl.obolibrary.org/obo/CHEBI_9670 2_STAR CHEBI:51406 biolink:ChemicalSubstance calix[5]furan Beilstein:6353579 chebi.json 26,27,28,29,30-pentaoxahexacyclo[21.2.1.1(3,6).18,11.1(13,16).1(18,21)]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene http://purl.obolibrary.org/obo/CHEBI_51406 3_STAR CHEBI:9671 biolink:ChemicalSubstance triamterene Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema. PMID:27913567|PMID:28166217|PMID:26194642|CAS:396-01-0|PMID:26385116|Wikipedia:Triamterene|PMID:28435224|PMID:28588673|KEGG:D00386|Drug_Central:2728|LINCS:LSM-4060 chebi.json triamterene|triamterena|6-phenylpteridine-2,4,7-triamine|triamterenum http://purl.obolibrary.org/obo/CHEBI_9671 3_STAR CHEBI:51407 biolink:ChemicalSubstance calix[4]furan Beilstein:5767473 chebi.json 21,22,23,24-tetraoxaporphyrinogen|21,22,23,24-tetraoxapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa-1(20),3,5,8,10,13,15,18-octaene http://purl.obolibrary.org/obo/CHEBI_51407 3_STAR CHEBI:51400 biolink:ChemicalSubstance circumovalene chebi.json http://purl.obolibrary.org/obo/CHEBI_51400 3_STAR CHEBI:26444 biolink:ChemicalSubstance pyrimidine ribonucleoside triphosphate chebi.json pyrimidine ribonucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_26444 3_STAR CHEBI:51401 biolink:ChemicalSubstance circumpyrene Beilstein:6453338|Gmelin:2653102 chebi.json dinaphtho[2,1,8,7-hijk:2',1',8',7'-stuv]ovalene http://purl.obolibrary.org/obo/CHEBI_51401 3_STAR CHEBI:26445 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26445 CHEBI:51402 biolink:ChemicalSubstance phenylenediamine A benzene substituted with two amino groups. chebi.json diaminobenzene|benzenediamine http://purl.obolibrary.org/obo/CHEBI_51402 3_STAR CHEBI:26446 biolink:ChemicalSubstance pyrimidine ribonucleotide chebi.json pyrimidine ribonucleotides http://purl.obolibrary.org/obo/CHEBI_26446 3_STAR CHEBI:51403 biolink:ChemicalSubstance 1,4-phenylenediamine A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus. PMID:15462465|CAS:106-50-3|PMID:20565505|PMID:11495521|PMID:19958436|PMID:19099270|PMID:10694312|PMID:18837732|CAS:106-50-3|PMID:8254706|KEGG:C19499|PMID:24385090|PMID:8735869|Beilstein:749029|PMID:21616561|Reaxys:749029|PMID:19469519|PMID:17827020|PMID:23257336|PMID:18844695|PMID:17256041|PMID:10771133|PMID:23510340|Wikipedia:P-Phenylenediamine|PMID:9540973|PMID:1395635|CAS:106-50-3 chebi.json 4-Aminoaniline|4-phenylenediamine|1,4-Benzenediamine|paraphenylene-diamine|p-Phenylenediamine|1,4-diaminobenzene|PPD|pPDA|1,4-Benzenediamine|p-Diaminobenzene|para-phenylenediamine|p-phenylenediamine base|benzene-1,4-diamine|PPDA http://purl.obolibrary.org/obo/CHEBI_51403 3_STAR CHEBI:26447 biolink:ChemicalSubstance pyrimidinemonocarboxylic acid chebi.json pyrimidinemonocarboxylic acids http://purl.obolibrary.org/obo/CHEBI_26447 3_STAR CHEBI:26440 biolink:ChemicalSubstance pyrimidine nucleoside KEGG:C03169 chebi.json pyrimidine nucleosides|N-D-Ribosylpyrimidine http://purl.obolibrary.org/obo/CHEBI_26440 3_STAR CHEBI:26441 biolink:ChemicalSubstance pyrimidine nucleotide chebi.json pyrimidine nucleotides http://purl.obolibrary.org/obo/CHEBI_26441 3_STAR CHEBI:26442 biolink:ChemicalSubstance pyrimidine ribonucleoside diphosphate chebi.json pyrimidine ribonucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26442 3_STAR CHEBI:26443 biolink:ChemicalSubstance pyrimidine ribonucleoside monophosphate chebi.json pyrimidine ribonucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26443 3_STAR CHEBI:51408 biolink:ChemicalSubstance substituted calixfuran chebi.json substituted calixfurans http://purl.obolibrary.org/obo/CHEBI_51408 3_STAR CHEBI:51409 biolink:ChemicalSubstance beta-decaethylcalix[5]furan Beilstein:6626908 chebi.json 4,5,9,10,14,15,19,20,24,25-decaethyl-26,27,28,29,30-pentaoxahexacyclo[21.2.1.1(3,6).18,11.1(13,16).1(18,21)]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene http://purl.obolibrary.org/obo/CHEBI_51409 3_STAR CHEBI:9669 biolink:ChemicalSubstance Triamcinolone diacetate CAS:67-78-7|KEGG:D00984|KEGG:C08184|Drug_Central:2727 chebi.json aristocort diacetate|Triamcinolone diacetate|polcortolon http://purl.obolibrary.org/obo/CHEBI_9669 2_STAR CHEBI:9665 biolink:ChemicalSubstance triadimefon A racemate comprising equal amounts of (R)- and (S)-triadimefon. A fungicide used to control powdery mildew, rusts and other infections in crops. MetaCyc:CPD-4061|Wikipedia:Triadimefon|Pesticides:triadimefon|PMID:24531054|PMID:24342051|CAS:43121-43-3|PMID:24962053|PMID:23419873|CAS:43121-43-3|Reaxys:619231|CAS:43121-43-3|PMID:25011125|KEGG:C11156|PMID:23876258|PMID:24846121 chebi.json triadimefone|racemic triadimefon|1-(4-Chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)-butan-2-one|(RS)-triadimefon|rac-triadimefon|rac-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone|(+-)-triadimefon|1-(1,2,4-Triazoyl-1)-1-(4-chloro-phenoxy)-3,3-dimethylbutanone|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butanone http://purl.obolibrary.org/obo/CHEBI_9665 3_STAR CHEBI:9666 biolink:ChemicalSubstance triadimenol A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts. PPDB:649|CAS:55219-65-3|Reaxys:616470|KEGG:C11127|CAS:55219-65-3|Pesticides:triadimenol|LINCS:LSM-27940|PMID:24615979|PMID:21341686|CAS:55219-65-3|PMID:23661341|PMID:24342051|PMID:25011125|PMID:22102610|PMID:23876258|PMID:22944149 chebi.json alpha-tert-butyl-beta-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanol|1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|2-(4-Chlorophenoxy)-1-tert-butyl-2-(1H-1,2,4-triazole-1-yl)ethanol|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol|beta-(4-Chlorophenoxy)-alpha-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol http://purl.obolibrary.org/obo/CHEBI_9666 3_STAR CHEBI:9667 biolink:ChemicalSubstance triamcinolone A C21-steroid hormone that is 1,4-pregnadiene-3,20-dione carrying four hydroxy substituents at positions 11beta, 16alpha, 17alpha and 21 as well as a fluoro substituent at position 9. Used in the form of its 16,17-acetonide to treat various skin infections. HMDB:HMDB0014758|DrugBank:DB00620|Wikipedia:Triamcinolone|PMID:23151875|Reaxys:2341955|PMID:23449717|PMID:23337526|PMID:11583068|PMID:23473287|PMID:23370580|PMID:22846803|Patent:WO2005028495|CAS:124-94-7|PMID:7509503|PMID:23562859|CAS:124-94-7|PMID:15305946|PMID:23440982|PMID:19668443|KEGG:D00385|Drug_Central:2725 chebi.json (11beta,16alpha)-9-fluoro-11,16,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|triamcinolona|9-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|triamcinolone|9alpha-fluoro-16alpha-hydroxyprednisolone|9alpha-fluoro-11beta,16alpha,17alpha,21-tetrahydroxypregna-1,4-diene-3,20-dione|Fluoxyprednisolone|triamcinolonum|triamcinolone|9alpha-fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione|11beta,16alpha,17alpha,21-tetrahydroxy-9alpha-fluoro-1,4-pregnadiene-3,20-dione http://purl.obolibrary.org/obo/CHEBI_9667 3_STAR CHEBI:9668 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9668 CHEBI:9661 biolink:ChemicalSubstance triacetin A triglyceride obtained by acetylation of the three hydroxy groups of glycerol. It has fungistatic properties (based on release of acetic acid) and has been used in the topical treatment of minor dermatophyte infections. PMID:14555416|PMID:23293041|KEGG:D00384|Beilstein:1792353|Reaxys:1792353|CAS:102-76-1|PMID:24574778|CAS:102-76-1|PMID:23996800|HMDB:HMDB0029592|LIPID_MAPS_instance:LMGL03012615|Drug_Central:3624|Wikipedia:Triacetin chebi.json 1,2,3-Propanetriol triacetate|Triacetyl glycerine|triacetin|glycerin triacetate|E-1518|triacetine|Glyceryl triacetate|triacetina|Glycerol triacetate|triacetinum|propane-1,2,3-triyl triacetate|Triacetyl glycerin|1,2,3-triacetylglycerol|1,2,3-triacetoxypropane|E1518|triacetin|Triacetylglycerol|E 1518|1,2,3-Propanetriyl triacetate|Enzactin|2-(Acetyloxy)-1-[(acetyloxy)methyl]ethyl acetate http://purl.obolibrary.org/obo/CHEBI_9661 3_STAR CHEBI:9662 biolink:ChemicalSubstance triacetylene CAS:3161-99-7|KNApSAcK:C00001297|CAS:3161-99-7|KEGG:C08463|Gmelin:277863|Beilstein:1731000 chebi.json HC#CC#CC#CH|1,3,5-Hexatriyne|Triacetylene|hexa-1,3,5-triyne|HC#C-C#C-C#CH http://purl.obolibrary.org/obo/CHEBI_9662 3_STAR CHEBI:9663 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9663 CHEBI:9664 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9664 CHEBI:9680 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9680 CHEBI:9681 biolink:ChemicalSubstance Trichilin A KNApSAcK:C00003734|CAS:77182-69-5|KEGG:C08786 chebi.json Trichilin A http://purl.obolibrary.org/obo/CHEBI_9681 2_STAR CHEBI:9682 biolink:ChemicalSubstance trichlopyr A monocarboxylic acid that is (pyridin-2-yloxy)acetic acid substituted by chloro groups at positions 3, 5 and 6. It is an agrochemical used as a herbicide. CAS:55335-06-3|PMID:23688229|Wikipedia:Triclopyr|Pesticides:triclopyr|PPDB:659|KEGG:C11032|CAS:55335-06-3|PMID:24623388|PMID:25309266|Reaxys:225301 chebi.json Triclopyr|[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid http://purl.obolibrary.org/obo/CHEBI_9682 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. chebi.json http://purl.obolibrary.org/obo/CHEBI_26455 3_STAR CHEBI:26456 biolink:ChemicalSubstance pyrrolidine alkaloid chebi.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. chebi.json 1-pyrrolinecarboxylates http://purl.obolibrary.org/obo/CHEBI_26457 3_STAR CHEBI:26458 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26458 CHEBI:26451 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26451 CHEBI:26452 biolink:ChemicalSubstance pyrrolecarboxylate A monocarboxylic acid anion comprising any pyrrole carrying a single carboxylate substiuent. chebi.json pyrrolecarboxylates http://purl.obolibrary.org/obo/CHEBI_26452 3_STAR CHEBI:26453 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26453 CHEBI:26454 biolink:ChemicalSubstance pyrrolecarboxylic acid Any pyrrole carrying a single carboxylic acid group. chebi.json pyrrolecarboxylic acids http://purl.obolibrary.org/obo/CHEBI_26454 3_STAR CHEBI:26450 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26450 CHEBI:9676 biolink:ChemicalSubstance Triazolidinedithione KEGG:C10978 chebi.json Triazolidinedithione|4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidine-3,5-dithione http://purl.obolibrary.org/obo/CHEBI_9676 2_STAR CHEBI:9677 biolink:ChemicalSubstance Triazolidinonethione KEGG:C10975 chebi.json 4-Bromophenyl-1,2-tetramethylene-1,2,4-triazolidin-3-one-5-thione|Triazolidinonethione http://purl.obolibrary.org/obo/CHEBI_9677 2_STAR CHEBI:9678 biolink:ChemicalSubstance tribenuron methyl The methyl ester of tribenuron. CAS:101200-48-0|PPDB:655|PMID:21277578|Reaxys:7447730|PMID:20048324|PDBeChem:1TB|PMID:22217454|PMID:21983197|Pesticides:tribenuron|KEGG:C10962|PMID:21637929|CAS:101200-48-0 chebi.json Tribenuron-methyl|METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATE|Tribenuron methyl|Tribenuron methyl ester|methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate|Sulfmethmeton-methyl|methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)amino]carbonyl}amino)sulfonyl]benzoate http://purl.obolibrary.org/obo/CHEBI_9678 3_STAR CHEBI:9679 biolink:ChemicalSubstance tricalcium bis(phosphate) KEGG:D00938|CAS:7758-87-4|KEGG:C08136|Wikipedia:Calcium_phosphate|CAS:7758-87-4|PPDB:111 chebi.json tricalcium diphosphate|Tricalcium phosphate|Calcium phosphate tribasic|calcium phosphate|tricalcium orthophosphate|tricalcium bis(phosphate)|tertiary calcium phosphate|calcium orthophosphate|Calcigenol Simple|Synthos|tribasic calcium phosphate|Ca3(PO4)2 http://purl.obolibrary.org/obo/CHEBI_9679 3_STAR CHEBI:9672 biolink:ChemicalSubstance triangularine CAS:87340-27-0|Beilstein:5856068|CAS:87340-27-0|CAS:87340-27-0|KNApSAcK:C00002124|KEGG:C10410 chebi.json [(1R,7aR)-1-{[(2Z)-2-methylbut-2-enoyl]oxy}-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2Z)-2-(hydroxymethyl)but-2-enoate|Triangularine|6-Angelyl-9-sarracinylretronecine http://purl.obolibrary.org/obo/CHEBI_9672 3_STAR CHEBI:9673 biolink:ChemicalSubstance triasulfuron An N-sulfonylurea that is N-[o-(2-chloroethoxy)phenyl]sulfonylurea in which one of the hydrogens attached to the non-sulfonylated nitrogen has been replaced by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. A herbicide used to control broad-leaved weeds in cereals, its use within the EU has been banned after September 2017 on the grounds of potential groundwater contamination and risks to aquatic life. Pesticides:triasulfuron|Patent:EP44808|CAS:82097-50-5|PMID:12926882|PMID:8539299|PPDB:651|KEGG:C10961|CAS:82097-50-5|PMID:15648757|PMID:16785172|PMID:11853485|Patent:US4514212|Reaxys:7151883|PMID:11048847 chebi.json 2-(2-chloroethoxy)-N-[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]benzenesulfonamide|2-(2-chloroethoxy)-N-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]benzenesulfonamide|1-[2-(2-chloroethoxy)phenylsulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea http://purl.obolibrary.org/obo/CHEBI_9673 3_STAR CHEBI:9674 biolink:ChemicalSubstance triazolam Drug_Central:2729|Wikipedia:Triazolam|Beilstein:1226643|DrugBank:DB00897|CAS:28911-01-5|KEGG:D00387 chebi.json Halcion|8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine http://purl.obolibrary.org/obo/CHEBI_9674 3_STAR CHEBI:9675 biolink:ChemicalSubstance triazolealanine A non-proteinogenic alpha-amino acid that is alanine in which one of the methyl hydrogens is replaced by a 1,2,4-triazol-3-yl group. KEGG:C11345|CAS:10109-05-4|PMID:5339728|CAS:10109-05-4 chebi.json 3-(1H-1,2,4-triazol-3-yl)alanine|1,2,4-Triazolyl-3-alanine|alpha-Amino-1H-1,2,4-triazole-3-propanoic acid|3-(1,2,4-triazol-3-yl)alanine|1,2,4-Triazole-3-alanine http://purl.obolibrary.org/obo/CHEBI_9675 3_STAR CHEBI:170761 biolink:ChemicalSubstance TG(20:0/18:3(9Z,12Z,15Z)/14:1(9Z)) Chemspider:59655391|HMDB:HMDB0046078|LIPID_MAPS_instance:LMGL03014828 chebi.json [(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170761 2_STAR CHEBI:170762 biolink:ChemicalSubstance PE(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) HMDB:HMDB0009043|Chemspider:24768515 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170762 2_STAR CHEBI:170763 biolink:ChemicalSubstance TG(20:0/18:3(6Z,9Z,12Z)/14:1(9Z)) LIPID_MAPS_instance:LMGL03014811|HMDB:HMDB0045896|Chemspider:59655217 chebi.json [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170763 2_STAR CHEBI:170764 biolink:ChemicalSubstance PE(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) LIPID_MAPS_instance:LMGP02010864|Chemspider:24768720|HMDB:HMDB0009269 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170764 2_STAR CHEBI:170765 biolink:ChemicalSubstance TG(20:0/14:1(9Z)/18:3(9Z,12Z,15Z)) Chemspider:59655018|HMDB:HMDB0045678 chebi.json [(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170765 2_STAR CHEBI:170766 biolink:ChemicalSubstance PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0) Chemspider:24767385|LIPID_MAPS_instance:LMGP01012101|HMDB:HMDB0008724 chebi.json [(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170766 2_STAR CHEBI:170767 biolink:ChemicalSubstance TG(20:0/14:1(9Z)/18:3(6Z,9Z,12Z)) Chemspider:59655012|HMDB:HMDB0045671 chebi.json [(2S)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170767 2_STAR CHEBI:170768 biolink:ChemicalSubstance PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Chemspider:24766633|LIPID_MAPS_instance:LMGP01011430|HMDB:HMDB0007958 chebi.json [(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170768 2_STAR CHEBI:170769 biolink:ChemicalSubstance TG(18:0/18:3(9Z,12Z,15Z)/16:1(9Z)) Chemspider:59654658|HMDB:HMDB0045294 chebi.json [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170769 2_STAR CHEBI:106197 biolink:ChemicalSubstance (2R)-2-[(4S,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17558 chebi.json http://purl.obolibrary.org/obo/CHEBI_106197 2_STAR CHEBI:131153 biolink:ChemicalSubstance 5-(4,6-dioxo-3-propan-2-yl-1-cyclohex-2-enylidene)-N-ethyl-4-[4-(4-morpholinylmethyl)phenyl]-2H-isoxazole-3-carboxamide LINCS:LSM-42748 chebi.json http://purl.obolibrary.org/obo/CHEBI_131153 2_STAR CHEBI:106198 biolink:ChemicalSubstance N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide LINCS:LSM-17559 chebi.json http://purl.obolibrary.org/obo/CHEBI_106198 2_STAR CHEBI:131154 biolink:ChemicalSubstance 3-[[2-(3-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid LINCS:LSM-42749 chebi.json http://purl.obolibrary.org/obo/CHEBI_131154 2_STAR CHEBI:131155 biolink:ChemicalSubstance 1-[(1R)-1-(1-ethylsulfonyl-4-piperidinyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-indolecarboxamide LINCS:LSM-42750 chebi.json http://purl.obolibrary.org/obo/CHEBI_131155 2_STAR CHEBI:106199 biolink:ChemicalSubstance N-[[(4R,5R)-8-(3-fluorophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide LINCS:LSM-17560 chebi.json http://purl.obolibrary.org/obo/CHEBI_106199 2_STAR CHEBI:131156 biolink:ChemicalSubstance 3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-3-piperidinyl]-2-thiophenecarboxamide LINCS:LSM-42751 chebi.json http://purl.obolibrary.org/obo/CHEBI_131156 2_STAR CHEBI:131157 biolink:ChemicalSubstance N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-2-naphthalenecarboxamide LINCS:LSM-42752 chebi.json http://purl.obolibrary.org/obo/CHEBI_131157 2_STAR CHEBI:99360 biolink:ChemicalSubstance N-[(2S,3S)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-2-fluoro-N-methylbenzamide LINCS:LSM-10739 chebi.json http://purl.obolibrary.org/obo/CHEBI_99360 2_STAR CHEBI:131158 biolink:ChemicalSubstance (2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(5S)-3-methyl-4-oxo-2,5-dihydro-1H-3-benzazepin-5-yl]amino]-1-oxopropan-2-yl]butanamide LINCS:LSM-42753 chebi.json http://purl.obolibrary.org/obo/CHEBI_131158 2_STAR CHEBI:99361 biolink:ChemicalSubstance LSM-10740 LINCS:LSM-10740 chebi.json http://purl.obolibrary.org/obo/CHEBI_99361 2_STAR CHEBI:131159 biolink:ChemicalSubstance 5-isoquinolinesulfonic acid [4-[(2S)-2-[5-isoquinolinylsulfonyl(methyl)amino]-3-oxo-3-(4-phenyl-1-piperazinyl)propyl]phenyl] ester LINCS:LSM-42755 chebi.json http://purl.obolibrary.org/obo/CHEBI_131159 2_STAR CHEBI:99362 biolink:ChemicalSubstance LSM-10741 LINCS:LSM-10741 chebi.json http://purl.obolibrary.org/obo/CHEBI_99362 2_STAR CHEBI:99363 biolink:ChemicalSubstance 2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-phenylacetamide LINCS:LSM-10742 chebi.json http://purl.obolibrary.org/obo/CHEBI_99363 2_STAR CHEBI:99364 biolink:ChemicalSubstance 2-[(3R,6aR,8S,10aR)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide LINCS:LSM-10743 chebi.json http://purl.obolibrary.org/obo/CHEBI_99364 2_STAR CHEBI:99365 biolink:ChemicalSubstance 2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(3-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(4-phenyl-1-piperazinyl)ethanone LINCS:LSM-10744 chebi.json http://purl.obolibrary.org/obo/CHEBI_99365 2_STAR CHEBI:99366 biolink:ChemicalSubstance N-[(1R,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide LINCS:LSM-10745 chebi.json http://purl.obolibrary.org/obo/CHEBI_99366 2_STAR CHEBI:99367 biolink:ChemicalSubstance 2-[(3R,6aR,8R,10aR)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-cyclobutylacetamide LINCS:LSM-10746 chebi.json http://purl.obolibrary.org/obo/CHEBI_99367 2_STAR CHEBI:131150 biolink:ChemicalSubstance LSM-42745 LINCS:LSM-42745 chebi.json http://purl.obolibrary.org/obo/CHEBI_131150 2_STAR CHEBI:99368 biolink:ChemicalSubstance 1-(3,5-dimethyl-4-isoxazolyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea LINCS:LSM-10747 chebi.json http://purl.obolibrary.org/obo/CHEBI_99368 2_STAR CHEBI:99369 biolink:ChemicalSubstance LSM-10748 LINCS:LSM-10748 chebi.json http://purl.obolibrary.org/obo/CHEBI_99369 2_STAR CHEBI:131151 biolink:ChemicalSubstance LSM-42746 LINCS:LSM-42746 chebi.json http://purl.obolibrary.org/obo/CHEBI_131151 2_STAR CHEBI:131152 biolink:ChemicalSubstance 3-[[2-(2-pyridinyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-4-pyrimidinyl]amino]propanoic acid LINCS:LSM-42747 chebi.json http://purl.obolibrary.org/obo/CHEBI_131152 2_STAR CHEBI:170760 biolink:ChemicalSubstance PE(18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) HMDB:HMDB0009044|Chemspider:24768516 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170760 2_STAR CHEBI:145794 biolink:ChemicalSubstance N-oleoylethanolamine phosphate A N-acylethanolamine phosphate in which the acyl group is specifed as (9Z)-octadec-9-enoyl. It is a lysophosphatidic acid-1 (LPA1) receptor agonist. PMID:12069840|PMID:19491366|CAS:24435-25-4|PMID:12069841 chebi.json 2-[(9Z)-octadec-9-enoylamino]ethyl dihydrogen phosphate|NAEPA|(Z)-N-[2-(phosphonooxy)ethyl]-9-octadecenamide|(Z)-2-oleamidoethyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_145794 3_STAR CHEBI:170772 biolink:ChemicalSubstance TG(20:0/14:0/18:4(6Z,9Z,12Z,15Z)) HMDB:HMDB0045497|Chemspider:59654854 chebi.json [(2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-tetradecanoyloxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170772 2_STAR CHEBI:170773 biolink:ChemicalSubstance PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:0) Chemspider:24769095|HMDB:HMDB0009651 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170773 2_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:32464466|PMID:32603789|PMID:32546555|PMID:31994361|PMID:32488807|PMID:32272101 chebi.json digoxin anion|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 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. chebi.json digitoxin|digitoxin anion http://purl.obolibrary.org/obo/CHEBI_145796 3_STAR CHEBI:170774 biolink:ChemicalSubstance TG(18:0/16:1(9Z)/18:3(9Z,12Z,15Z)) Chemspider:59654295|HMDB:HMDB0044904 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170774 2_STAR CHEBI:170775 biolink:ChemicalSubstance PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:0) Chemspider:24769062|HMDB:HMDB0009618 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octadecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170775 2_STAR CHEBI:145797 biolink:ChemicalSubstance digoxigenin(1-) An organic anion that is the conjugate base of digoxigenin resulting from the deprotonation of the furanone moiety; major species at pH 7.3. PMID:29981919|PMID:30661134 chebi.json digoxigenin|3beta,12beta,14-trihydroxy-17beta-(5-oxo-2,5-dihydrofuran-2-id-3-yl)-5beta,14beta-androstane|digoxigenin anion http://purl.obolibrary.org/obo/CHEBI_145797 3_STAR CHEBI:170776 biolink:ChemicalSubstance TG(18:0/16:1(9Z)/18:3(6Z,9Z,12Z)) HMDB:HMDB0044897|Chemspider:59654288 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170776 2_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:31170971|PMID:31087249|PMID:32651756|PMID:31075189|PMID:32488807|PMID:32326025|PMID:32368275 chebi.json ouabain|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 anion http://purl.obolibrary.org/obo/CHEBI_145798 3_STAR CHEBI:170777 biolink:ChemicalSubstance PE(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) Chemspider:24769031|HMDB:HMDB0009587|LIPID_MAPS_instance:LMGP02011114 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170777 2_STAR CHEBI:145799 biolink:ChemicalSubstance ouabagenin(1-) An organic anion that is the conjugate base of ouabagenin resulting from the deprotonation of the furanone moiety; major species at pH 7.3. PMID:29396543|PMID:25665409|PMID:19294722|PMID:23288535|PMID:19757104|PMID:28706702 chebi.json 1beta,3beta,5,11alpha,14,19-hexahydroxy-17beta-(5-oxo-2,5-dihydrofuran-2-id-3-yl)-5beta,14beta-androstane|ouabagenin|ouabagenin anion http://purl.obolibrary.org/obo/CHEBI_145799 3_STAR CHEBI:170778 biolink:ChemicalSubstance PE(22:4(7Z,10Z,13Z,16Z)/18:1(11Z)) HMDB:HMDB0009586|Chemspider:24769030 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170778 2_STAR CHEBI:170779 biolink:ChemicalSubstance TG(18:0/14:1(9Z)/20:3n6) HMDB:HMDB0044872|Chemspider:59654265 chebi.json [(2S)-3-octadecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170779 2_STAR CHEBI:106190 biolink:ChemicalSubstance LSM-17551 LINCS:LSM-17551 chebi.json http://purl.obolibrary.org/obo/CHEBI_106190 2_STAR CHEBI:106191 biolink:ChemicalSubstance N-[[(2S,3R)-8-(2-cyclopentylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-pyridinecarboxamide LINCS:LSM-17552 chebi.json http://purl.obolibrary.org/obo/CHEBI_106191 2_STAR CHEBI:106192 biolink:ChemicalSubstance (2R)-2-[(4R,5R)-4-methyl-8-(4-methylphenyl)-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17553 chebi.json http://purl.obolibrary.org/obo/CHEBI_106192 2_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. chebi.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:106193 biolink:ChemicalSubstance (2R,3S)-8-[2-(2-fluorophenyl)ethynyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17554 chebi.json http://purl.obolibrary.org/obo/CHEBI_106193 2_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. PMID:26186951|PMID:28247723|CAS:47608-32-2|PMID:31602966|HMDB:HMDB0014354|PMID:21212936|PMID:30656943|PMID:30697533|Drug_Central:2776|DrugBank:DB00209 chebi.json tropsium cation|(1alpha,3beta,5alpha)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium]|(1S,3R,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium|tropsium ion http://purl.obolibrary.org/obo/CHEBI_145791 3_STAR CHEBI:106194 biolink:ChemicalSubstance N-[[(2R,3R)-8-(2-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-oxanecarboxamide LINCS:LSM-17555 chebi.json http://purl.obolibrary.org/obo/CHEBI_106194 2_STAR CHEBI:145792 biolink:ChemicalSubstance 2-hydroxymelatonin A member of the class of hydroxyindoles that is melatonin in which the hydrogen at position 2 of the indole ring has been replaced by a hydroxy group. A predominant hydroxylated melatonin metabolite in plants. PMID:27500558|PMID:27619234|PMID:31703532|PMID:31722261|PMID:26331804|PMID:28335402|PMID:27264781|PMID:28652076|PMID:25728912|PMID:26927635|PMID:31597397 chebi.json 2-hydroxymelatonin|N-[2-(2-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide|2-OHMT http://purl.obolibrary.org/obo/CHEBI_145792 3_STAR CHEBI:106195 biolink:ChemicalSubstance LSM-17556 LINCS:LSM-17556 chebi.json http://purl.obolibrary.org/obo/CHEBI_106195 2_STAR CHEBI:145793 biolink:ChemicalSubstance ring-opened abasic DNA residue cross-linked to a protein cysteinyl group An abasic DNA-protein cross-linked residue resulting from the formal condensation of L-cysteine residue of a protein with a ring-opened abasic site [also known as AP (apurinic or apyrimidinic) site] of DNA forming a thiazolidine covalent linkage. PMID:31504793|PMID:31235915|PMID:31235913 chebi.json (2R,3S)-4-[(4R)-4-acyl-1,3-thiazolidin-2-yl]-2-hydroxy-3-O-butyl phosphate residue|a ring-opened abasic DNA residue cross-linked to an L cysteinyl residue http://purl.obolibrary.org/obo/CHEBI_145793 3_STAR CHEBI:106196 biolink:ChemicalSubstance N-[[(4R,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-fluoro-N-methylbenzamide LINCS:LSM-17557 chebi.json http://purl.obolibrary.org/obo/CHEBI_106196 2_STAR CHEBI:106186 biolink:ChemicalSubstance N-[[(2S,3R)-8-(2-cyclopentylethynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-pyridinecarboxamide LINCS:LSM-17547 chebi.json http://purl.obolibrary.org/obo/CHEBI_106186 2_STAR CHEBI:131164 biolink:ChemicalSubstance (2S,3R)-N'-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide LINCS:LSM-42763 chebi.json http://purl.obolibrary.org/obo/CHEBI_131164 2_STAR CHEBI:106187 biolink:ChemicalSubstance N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide LINCS:LSM-17548 chebi.json http://purl.obolibrary.org/obo/CHEBI_106187 2_STAR CHEBI:131165 biolink:ChemicalSubstance 6-bromo-3-(1-methyl-4-pyrazolyl)-5-(3-piperidinyl)-7-pyrazolo[1,5-a]pyrimidinamine LINCS:LSM-42765 chebi.json http://purl.obolibrary.org/obo/CHEBI_131165 2_STAR CHEBI:131166 biolink:ChemicalSubstance 3-[3-[4-(methylaminomethyl)phenyl]-5-isoxazolyl]-5-(4-propan-2-ylsulfonylphenyl)-2-pyrazinamine LINCS:LSM-42766 chebi.json http://purl.obolibrary.org/obo/CHEBI_131166 2_STAR CHEBI:106188 biolink:ChemicalSubstance N-[[(2S,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide LINCS:LSM-17549 chebi.json http://purl.obolibrary.org/obo/CHEBI_106188 2_STAR CHEBI:131167 biolink:ChemicalSubstance 6-[5-[(cyclopropylamino)-oxomethyl]-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)-3-pyridinecarboxamide LINCS:LSM-42767 chebi.json http://purl.obolibrary.org/obo/CHEBI_131167 2_STAR CHEBI:106189 biolink:ChemicalSubstance 2-(dimethylamino)-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide LINCS:LSM-17550 chebi.json http://purl.obolibrary.org/obo/CHEBI_106189 2_STAR CHEBI:650657 biolink:ChemicalSubstance ketamine hydrochloride The hydrochloride salt of ketamine. CAS:1867-66-9|DrugBank:DB01221|KEGG:D00711|Reaxys:5318526|CAS:1867-66-9 chebi.json CI-581|2-(o-chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride|Ketanest|Ketalar|CN-52372-2|CL-369|KETAMINE HYDROCHLORIDE|(+-)-ketamine hydrochloride|ketamine HCl|2-(2-chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride|1-(2-chlorophenyl)-N-methyl-2-oxocyclohexanaminium chloride|(+-)-2-(o-chlorophenyl)-2-(methylamino)cyclohexanone hydrochloride|Ketaject http://purl.obolibrary.org/obo/CHEBI_650657 3_STAR CHEBI:131168 biolink:ChemicalSubstance N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methyl-3-pyrazolyl)-2-thiophenecarboxamide LINCS:LSM-42768 chebi.json http://purl.obolibrary.org/obo/CHEBI_131168 2_STAR CHEBI:131169 biolink:ChemicalSubstance 8-chloro-2-phenyl-3-[(1S)-1-(7H-purin-6-ylamino)ethyl]-1-isoquinolinone LINCS:LSM-42769 chebi.json http://purl.obolibrary.org/obo/CHEBI_131169 2_STAR CHEBI:99350 biolink:ChemicalSubstance 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide LINCS:LSM-10729 chebi.json http://purl.obolibrary.org/obo/CHEBI_99350 2_STAR CHEBI:99351 biolink:ChemicalSubstance N-[(2R,3R)-4-[[(4-fluoroanilino)-oxomethyl]-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-4-oxanecarboxamide LINCS:LSM-10730 chebi.json http://purl.obolibrary.org/obo/CHEBI_99351 2_STAR CHEBI:99352 biolink:ChemicalSubstance 2-[(2R,5S,6S)-5-[(3-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]-N-[(1R)-1-phenylethyl]acetamide LINCS:LSM-10731 chebi.json http://purl.obolibrary.org/obo/CHEBI_99352 2_STAR CHEBI:99353 biolink:ChemicalSubstance 1-[(2S,3S,6S)-6-[2-[4-(1-hydroxycyclopentyl)-1-triazolyl]ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea LINCS:LSM-10732 chebi.json http://purl.obolibrary.org/obo/CHEBI_99353 2_STAR CHEBI:99354 biolink:ChemicalSubstance 2-[(2S,4aS,12aS)-8-[[(2-fluorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester LINCS:LSM-10733 chebi.json http://purl.obolibrary.org/obo/CHEBI_99354 2_STAR CHEBI:99355 biolink:ChemicalSubstance 1-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea LINCS:LSM-10734 chebi.json http://purl.obolibrary.org/obo/CHEBI_99355 2_STAR CHEBI:131160 biolink:ChemicalSubstance (2S)-2-acetamido-4-methyl-N-[4-methyl-1-[[4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]pentanamide LINCS:LSM-42756 chebi.json http://purl.obolibrary.org/obo/CHEBI_131160 2_STAR CHEBI:99356 biolink:ChemicalSubstance N-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide LINCS:LSM-10735 chebi.json http://purl.obolibrary.org/obo/CHEBI_99356 2_STAR CHEBI:99357 biolink:ChemicalSubstance 2-[(1S,3S,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-fluorophenyl)methyl]acetamide LINCS:LSM-10736 chebi.json http://purl.obolibrary.org/obo/CHEBI_99357 2_STAR CHEBI:131161 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_131161 CHEBI:170770 biolink:ChemicalSubstance TG(18:0/20:3n6/14:1(9Z)) HMDB:HMDB0045158|Chemspider:59654528 chebi.json [(2S)-1-octadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170770 2_STAR CHEBI:131162 biolink:ChemicalSubstance (2R)-3-[(2S,6R,8S,11R)-2-[(2R)-4-[(2S,2'R,4R,4aS,6R,8aR)-4-hydroxy-2-[(1S,3S)-1-hydroxy-3-[(2S,3R,6S)-3-methyl-1,7-dioxaspiro[5.5]undecan-2-yl]butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]yl]but-3-en-2-yl]-11-hydroxy-4-methyl-1,7-dioxaspiro[5.5]undec-4-en-8-yl]-2-hydroxy-2-methylpropanoic acid LINCS:LSM-42759 chebi.json http://purl.obolibrary.org/obo/CHEBI_131162 2_STAR CHEBI:99358 biolink:ChemicalSubstance 2-[(2R,4aR,12aS)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide LINCS:LSM-10737 chebi.json http://purl.obolibrary.org/obo/CHEBI_99358 2_STAR CHEBI:170771 biolink:ChemicalSubstance TG(18:0/20:3(5Z,8Z,11Z)/14:1(9Z)) HMDB:HMDB0044996|Chemspider:59654376 chebi.json [(2S)-1-octadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170771 2_STAR CHEBI:131163 biolink:ChemicalSubstance N-(2-amino-4-fluorophenyl)-3-[1-(3-phenylprop-2-enyl)-4-pyrazolyl]-2-propenamide LINCS:LSM-42760 chebi.json http://purl.obolibrary.org/obo/CHEBI_131163 2_STAR CHEBI:99359 biolink:ChemicalSubstance 2-[(3R,6aR,8S,10aR)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(1-piperidinyl)ethanone LINCS:LSM-10738 chebi.json http://purl.obolibrary.org/obo/CHEBI_99359 2_STAR CHEBI:170783 biolink:ChemicalSubstance TG(18:0/14:0/20:4(5Z,8Z,11Z,14Z)) Chemspider:59654097|HMDB:HMDB0044684 chebi.json [(2S)-3-octadecanoyloxy-2-tetradecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170783 2_STAR CHEBI:145783 biolink:ChemicalSubstance 2-(9-oxononanoyl)-sn-glycero-3-phosphocholine A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as 9-oxononanoyl. PMID:27993948 chebi.json 2-(9-oxononanoyl)-sn-glycero-3-phosphocholine http://purl.obolibrary.org/obo/CHEBI_145783 2_STAR CHEBI:170784 biolink:ChemicalSubstance PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:0) HMDB:HMDB0009460|LIPID_MAPS_instance:LMGP02010980|Chemspider:24768911 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropan-2-yl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170784 2_STAR CHEBI:145784 biolink:ChemicalSubstance sesaminol 2-O-beta-D-glucoside A beta-D-glucoside that is sesaminol in which the hydroxy group at position 5 is substituted by a beta-D-glucopyranoside group. A metabolite found in sesame seeds. FooDB:FDB021108|PMID:7764592|MetaCyc:CPD-14838|PMID:18248594|HMDB:HMDB0041209|PMID:22818971|PMID:19561332|PMID:15885833|CAS:153512-13-1|PMID:31654577 chebi.json (+)-sesaminol 2-O-beta-D-glucoside|sesaminol 2-O-beta-D-glucopyranoside|6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_145784 3_STAR CHEBI:170785 biolink:ChemicalSubstance TG(18:0/18:3(6Z,9Z,12Z)/16:1(9Z)) Chemspider:59654477|HMDB:HMDB0045105 chebi.json [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170785 2_STAR CHEBI:145785 biolink:ChemicalSubstance sesaminol 2-O-beta-D-gentiobioside A disaccharide derivative that is sesaminol in which the hydroxy group at position 5 has been substituted by a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside group. It is a metabolite found in sesame seeds. PMID:18248594|PMID:19561332|MetaCyc:CPD-14839 chebi.json (+)-sesaminol 2-O-beta-D-gentiobioside|(+)-sesaminol 2-O-beta-D-glucosyl (1->6)-O-beta-D-glucoside|6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_145785 3_STAR CHEBI:145786 biolink:ChemicalSubstance 7-O-methylmyricetin A monomethoxyflavone that is myricetin in which the hydroxy group at position 7 is substituted by a methoxy group. PMID:6076774|PMID:21343428|PMID:20041786|MetaCyc:CPD-14933|PMID:30302324|CAS:16280-27-6|PMID:19384277|LIPID_MAPS_instance:LMPK12112664|Wikipedia:Europetin|PMID:15264897|KNApSAcK:C00004761 chebi.json myricetin 7-O-methyl ether|3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one|7-methylmyricetin|europetin|3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one http://purl.obolibrary.org/obo/CHEBI_145786 3_STAR CHEBI:170786 biolink:ChemicalSubstance PE(20:4(8Z,11Z,14Z,17Z)/20:1(11Z)) Chemspider:24768879|HMDB:HMDB0009428 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170786 2_STAR CHEBI:170787 biolink:ChemicalSubstance TG(22:2(13Z,16Z)/14:0/18:3(9Z,12Z,15Z)) Chemspider:59663019|HMDB:HMDB0054344 chebi.json [(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-tetradecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170787 2_STAR CHEBI:145787 biolink:ChemicalSubstance quercetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-beta-D-glucoside] A carboxylic ester resulting from the formal condensation of caffeic acid with the hydroxy group at position 6 of the terminal glucose residue of quercetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside. PMID:29967287 chebi.json 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_145787 3_STAR CHEBI:170788 biolink:ChemicalSubstance PE(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)) HMDB:HMDB0009395|LIPID_MAPS_instance:LMGP02010952|Chemspider:24768846 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170788 2_STAR CHEBI:145788 biolink:ChemicalSubstance myricetin 3-O-[(6-O-trans-4-coumaroyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside] A glycosyloxyflavone that is myricetin 3-O-[beta-D-glucosyl-(1->2)-alpha-L-rhamnoside] in which the terminal glucose residue has been esterified at position 6 by formal condensation with 4-coumaric acid. Identified in Fig. S21 of PMID:29967287. PMID:29967287 chebi.json http://purl.obolibrary.org/obo/CHEBI_145788 3_STAR CHEBI:170789 biolink:ChemicalSubstance TG(20:2n6/14:1(9Z)/20:2n6) Chemspider:59693792|HMDB:HMDB0053355 chebi.json [3-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170789 2_STAR CHEBI:145789 biolink:ChemicalSubstance dihydroouabagenin A hexahydroxy steroidal lactone that is the 20,22-dihydro derivative of ouabagenin. chebi.json dihydroouabagenin http://purl.obolibrary.org/obo/CHEBI_145789 2_STAR CHEBI:131139 biolink:ChemicalSubstance LSM-42687 LINCS:LSM-42687 chebi.json http://purl.obolibrary.org/obo/CHEBI_131139 2_STAR CHEBI:145780 biolink:ChemicalSubstance 2-azelaoyl-sn-glycero-3-phosphocholine(1-) The conjugate base of 2-azelaoyl-sn-glycero-3-phosphocholine, obtained by deprotonation of the free carboxy group; major species at pH 7.3. PMID:27993948 chebi.json 2-nonadioyl-sn-glycero-3-phosphocholine http://purl.obolibrary.org/obo/CHEBI_145780 2_STAR CHEBI:145781 biolink:ChemicalSubstance 2-glutaroyl-sn-glycero-3-phosphocholine(1-) The conjugate base of 2-glutaroyl-sn-glycero-3-phosphocholine, obtained by deprotonation of the free carboxy group; major species at pH 7.3. PMID:27993948 chebi.json 2-glutaroyl-sn-glycero-3-phosphocholine http://purl.obolibrary.org/obo/CHEBI_145781 2_STAR CHEBI:145782 biolink:ChemicalSubstance 2-(5-oxovaleroyl)-sn-glycero-3-phosphocholine A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as 5-oxovaleroyl. PMID:27993948 chebi.json 2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine http://purl.obolibrary.org/obo/CHEBI_145782 2_STAR CHEBI:131131 biolink:ChemicalSubstance (2S)-2-[(4S,5R)-8-(1-cyclohexenyl)-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-42679 chebi.json http://purl.obolibrary.org/obo/CHEBI_131131 2_STAR CHEBI:131132 biolink:ChemicalSubstance (2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(propyl)amino]methyl]-8-(3-pyridinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-42680 chebi.json http://purl.obolibrary.org/obo/CHEBI_131132 2_STAR CHEBI:131133 biolink:ChemicalSubstance (3aS,4R,9bR)-8-(1-cyclohexenyl)-N-cyclopentyl-4-(hydroxymethyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide LINCS:LSM-42681 chebi.json http://purl.obolibrary.org/obo/CHEBI_131133 2_STAR CHEBI:99380 biolink:ChemicalSubstance 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide LINCS:LSM-10759 chebi.json http://purl.obolibrary.org/obo/CHEBI_99380 2_STAR CHEBI:131134 biolink:ChemicalSubstance LSM-42682 LINCS:LSM-42682 chebi.json http://purl.obolibrary.org/obo/CHEBI_131134 2_STAR CHEBI:99381 biolink:ChemicalSubstance N-[(2S,3S,6S)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide LINCS:LSM-10760 chebi.json http://purl.obolibrary.org/obo/CHEBI_99381 2_STAR CHEBI:131135 biolink:ChemicalSubstance (1R,5S)-7-[4-(2-fluorophenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide LINCS:LSM-42683 chebi.json http://purl.obolibrary.org/obo/CHEBI_131135 2_STAR CHEBI:131136 biolink:ChemicalSubstance LSM-42684 LINCS:LSM-42684 chebi.json http://purl.obolibrary.org/obo/CHEBI_131136 2_STAR CHEBI:99382 biolink:ChemicalSubstance LSM-10761 LINCS:LSM-10761 chebi.json http://purl.obolibrary.org/obo/CHEBI_99382 2_STAR CHEBI:99383 biolink:ChemicalSubstance 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide LINCS:LSM-10762 chebi.json http://purl.obolibrary.org/obo/CHEBI_99383 2_STAR CHEBI:131137 biolink:ChemicalSubstance 4-(dimethylamino)-N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide LINCS:LSM-42685 chebi.json http://purl.obolibrary.org/obo/CHEBI_131137 2_STAR CHEBI:99384 biolink:ChemicalSubstance 2-[(2R,4aS,12aR)-5-methyl-6-oxo-8-[(1-oxo-2-thiophen-2-ylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[3-(4-morpholinyl)propyl]acetamide LINCS:LSM-10763 chebi.json http://purl.obolibrary.org/obo/CHEBI_99384 2_STAR CHEBI:131138 biolink:ChemicalSubstance N-[[(4R,5R)-8-(1-cyclohexenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-phenylacetamide LINCS:LSM-42686 chebi.json http://purl.obolibrary.org/obo/CHEBI_131138 2_STAR CHEBI:99385 biolink:ChemicalSubstance N-(cyclohexylmethyl)-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(1-methyl-4-imidazolyl)sulfonylamino]-2-oxanyl]acetamide LINCS:LSM-10764 chebi.json http://purl.obolibrary.org/obo/CHEBI_99385 2_STAR CHEBI:99386 biolink:ChemicalSubstance N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(2-phenylethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide LINCS:LSM-10765 chebi.json http://purl.obolibrary.org/obo/CHEBI_99386 2_STAR CHEBI:99387 biolink:ChemicalSubstance N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide LINCS:LSM-10766 chebi.json http://purl.obolibrary.org/obo/CHEBI_99387 2_STAR CHEBI:99388 biolink:ChemicalSubstance N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide LINCS:LSM-10767 chebi.json http://purl.obolibrary.org/obo/CHEBI_99388 2_STAR CHEBI:99389 biolink:ChemicalSubstance N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide LINCS:LSM-10768 chebi.json http://purl.obolibrary.org/obo/CHEBI_99389 2_STAR CHEBI:170780 biolink:ChemicalSubstance TG(18:0/14:1(9Z)/20:3(5Z,8Z,11Z)) HMDB:HMDB0044866|Chemspider:59654259 chebi.json [(2S)-3-octadecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170780 2_STAR CHEBI:170781 biolink:ChemicalSubstance PE(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) Chemspider:24769001|LIPID_MAPS_instance:LMGP02011086|HMDB:HMDB0009557 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170781 2_STAR CHEBI:131130 biolink:ChemicalSubstance (6S,7R,8S)-8-(hydroxymethyl)-4-(1-oxopropyl)-7-[4-[2-(3-pyridinyl)ethynyl]phenyl]-1,4-diazabicyclo[4.2.0]octan-2-one LINCS:LSM-42678 chebi.json http://purl.obolibrary.org/obo/CHEBI_131130 2_STAR CHEBI:170782 biolink:ChemicalSubstance PE(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) LIPID_MAPS_instance:LMGP02011085|HMDB:HMDB0009556|Chemspider:24769000 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170782 2_STAR CHEBI:145772 biolink:ChemicalSubstance curcumin 4'-O-beta-D-gentiotrioside A glycoside that is curcumin substituted by a beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside group at position 4'. PMID:19561332|MetaCyc:CPD-14835|PMID:14644434 chebi.json 4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_145772 3_STAR CHEBI:170794 biolink:ChemicalSubstance PE(20:0/20:5(5Z,8Z,11Z,14Z,17Z)) HMDB:HMDB0009236|LIPID_MAPS_instance:LMGP02010836|Chemspider:24768690 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170794 2_STAR CHEBI:170795 biolink:ChemicalSubstance TG(18:3(6Z,9Z,12Z)/16:0/20:2n6) HMDB:HMDB0052874|Chemspider:59661629 chebi.json [(2R)-2-hexadecanoyloxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170795 2_STAR CHEBI:145773 biolink:ChemicalSubstance curcumin 4'-O-beta-D-gentiotetraside A glycoside that is curcumin substituted by a beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside group at position 4'. MetaCyc:CPD-14836|PMID:19561332|PMID:14644434 chebi.json 4-[(1E,6E)-7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,6-dien-1-yl]-2-methoxyphenyl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_145773 3_STAR CHEBI:170796 biolink:ChemicalSubstance PE(18:4(6Z,9Z,12Z,15Z)/22:1(13Z)) Chemspider:24768667|HMDB:HMDB0009205 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170796 2_STAR CHEBI:145774 biolink:ChemicalSubstance alpha-Neu5d5N;1,5-lactam-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc6SO3Na-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-O{[2-(C14H29)]C16H32} A neoglycolipid consisting of a branched hexasaccharide made up from one lactamized sialyl residue, two galactose residues, onr fucose residue, one N-acetyl-6-sulfonatoglucosamine residue (with associated sodium cation) and one glucose residue, which at the reducing end is attached glycosidically to a 2-(tetradecyl)hexadecyl group. PMID:16133830 chebi.json sodium 2-tetradecylhexadecyl alpha-L-fucopyranosyl-(1->3)-[3-O-{(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl}-beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-6-O-sulfonato-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|alpha-L-Fuc-(1->3)-[alpha-Neu5d5N;1,5-lactam-(2->3)-beta-D-Gal-(1->4)]-beta-D-GlcNAc6SO3Na-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-O{[2-(C14H29)]C16H32}|sodium 2-tetradecylhexadecyl 6-deoxy-alpha-L-galactopyranosyl-(1->3)-[3-O-{(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl}-beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-6-O-sulfonato-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|lactamized-sialyl 6-O-sulfo sLe(x)|2-(tetradecyl)hexadecyl 6-deoxy-alpha-L-galactopyranosyl-(1->3)-[(5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranosyl 1,5-lactam)-(2->3)-beta-D-galactopyranosyl-( 1->4)]-(2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl)-(1->3)-(beta-D-galactopyranosyl)-(1->4)-beta-D-glucopyranoside sodium salt|sodium 2-tetradecylhexadecyl alpha-L-fucosyl-(1->3)--[3-O{(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl}-beta-D-galactosyl-(1->4)]-N-acetyl-6-O-sulfonato-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucoside|lactamized-sialyl 6-O-sulfo sialyl Lewis X http://purl.obolibrary.org/obo/CHEBI_145774 3_STAR CHEBI:170797 biolink:ChemicalSubstance TG(18:3(6Z,9Z,12Z)/14:0/22:2(13Z,16Z)) Chemspider:59661606|HMDB:HMDB0052849 chebi.json [(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-tetradecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170797 2_STAR CHEBI:145775 biolink:ChemicalSubstance (4R)-4,5-dihydroxy-3-oxopentanal chebi.json 2-deoxy-d-glycero-pentos-3-ulose http://purl.obolibrary.org/obo/CHEBI_145775 2_STAR CHEBI:170798 biolink:ChemicalSubstance PE(18:3(9Z,12Z,15Z)/22:2(13Z,16Z)) HMDB:HMDB0009173|Chemspider:24768635|LIPID_MAPS_instance:LMGP02010735 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170798 2_STAR CHEBI:145776 biolink:ChemicalSubstance genistin 7-O-gentiobioside A glycosyloxyisoflavone that is genistein substituted by a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside group at position 7. MetaCyc:CPD-14848|PMID:30241372|PMID:29509670|PMID:19561332|PMID:23265491 chebi.json genistein 7-O-gentiobioside|genistin 7-gentiobioside|5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|genistein 7-gentiobioside|5-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|genistein-7-O-gentiobioside http://purl.obolibrary.org/obo/CHEBI_145776 3_STAR CHEBI:99 biolink:ChemicalSubstance (-)-maackiain The (-)-enantiomer of maackiain. KEGG:C10502|CAS:2035-15-6|Reaxys:1262886|MetaCyc:CPD-3631|CAS:2035-15-6|HMDB:HMDB0036629|KNApSAcK:C00002546 chebi.json (6aR,12aR)-6a,12a-dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-ol|(6aR,12aR)-3-hydroxy-8,9-methylenedioxypterocarpane|(-)-maackiain|Inermin|Inermine|(-)-Maackiain http://purl.obolibrary.org/obo/CHEBI_99 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. PMID:8987672|PMID:28130448|MetaCyc:CPD-13516|PMID:15136574 chebi.json 2-amino-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose|GlcN(b1-4)GlcNAc|2-acetamido-4-O-(2-amino-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-D-glucopyranose|2-amino-beta-D-glucopyranosyl-(1->4)-2-acetamido-D-glucopyranose|beta-D-GlcN-(1->4)-GlcNAc http://purl.obolibrary.org/obo/CHEBI_145777 3_STAR CHEBI:170799 biolink:ChemicalSubstance TG(18:2(9Z,12Z)/18:1(9Z)/18:2(9Z,12Z)) Chemspider:9182631|HMDB:HMDB0052546 chebi.json 1,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propan-2-yl (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170799 2_STAR CHEBI:145778 biolink:ChemicalSubstance sesaminol A furofuran that is cis-tetrahydro-1H,3H-furo[3,4-c]furan substituted by a 6-hydroxy-1,3-benzodioxol-5-yl group at position 1S and a 1,3-benzodioxol-5-yl group at position 4S. It is metabolite found in sesame seeds. PMID:21384919|PMID:23280945|CAS:74061-79-3|HMDB:HMDB0038932|PMID:22894606|PMID:19824636|FooDB:FDB018404|PMID:25403159|PMID:18248594|PMID:28368390|PMID:19561332|MetaCyc:CPD-14837|PMID:31654577 chebi.json 6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-ol|(+)-sesaminol|(1S-(1alpha,3aalpha,4alpha,6aalpha))-6-(4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo(3,4-c)furan-1-yl)-1,3-benzodioxol-5-ol|justisolin http://purl.obolibrary.org/obo/CHEBI_145778 3_STAR CHEBI:145779 biolink:ChemicalSubstance D-ribo-Hexos-3-ulose chebi.json http://purl.obolibrary.org/obo/CHEBI_145779 2_STAR CHEBI:95 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_95 CHEBI:97 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_97 CHEBI:98 biolink:ChemicalSubstance (S)-linalool The (S)-enantiomer of linalool. CAS:126-90-9|CAS:126-90-9|KNApSAcK:C00010301|KEGG:C11389|Beilstein:1721486|CAS:126-90-9 chebi.json (3S)-Linalool|(S)-Linalol|(+)-Linalool|(S)-(+)-Linalool|(3S)-3,7-dimethyl-1,6-octadien-3-ol|(3S)-3,7-dimethylocta-1,6-dien-3-ol|(S)-linalool|(S)-3,7-dimethyl-1,6-octadien-3-ol http://purl.obolibrary.org/obo/CHEBI_98 3_STAR CHEBI:91 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_91 CHEBI:92 biolink:ChemicalSubstance (-)-hygrine A 1-(1-methylpyrrolidin-2-yl)acetone that has S configuration. KNApSAcK:C00002046|PMID:42747|PMID:22644|Beilstein:80978|KEGG:C11359|CAS:65941-22-2 chebi.json (-)-Hygrine|(S)-hygrine|1-[(2S)-1-methylpyrrolidin-2-yl]propan-2-one|1-[(2S)-1-methylpyrrolidin-2-yl]acetone http://purl.obolibrary.org/obo/CHEBI_92 3_STAR CHEBI:93 biolink:ChemicalSubstance (-)-Hygroline KEGG:C10152|KNApSAcK:C00002047|CAS:496-47-9 chebi.json (-)-Hygroline http://purl.obolibrary.org/obo/CHEBI_93 2_STAR CHEBI:145770 biolink:ChemicalSubstance alpha-Neu5d5N;1,5-lactam-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc6S-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0) A sialotetraosylceramide consisting of a linear pentasaccharide made up from one lactamized sialyl residue, two galactose residues, one N-acetyl-6-sulfoglucosamine residue and one glucose residue, which at the reducing end is attached to a d18:1/18:0 ceramide moiety via a beta-linkage. PMID:16133830 chebi.json alpha-Neup5d5N;1,5-lactam-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer(d18:1/18:0)|N-[(2S,3R,4E)-3-hydroxy-1-{[3-O-{(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl}-beta-D-galactosyl-(1->4)-N-acetyl-6-O-sulfo-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl]oxy}octadec-4-en-2-yl]octadecanamide|N-[(2S,3R,4E)-3-hydroxy-1-{[3-O-{(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl}-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}octadec-4-en-2-yl]octadecanamide|N-[(1S,2R,3E)-2-hydroxy-1-[[[O-3-O-[(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]oct-1-yl]-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy]methyl]-3-heptadecen-1-yl]octadecanamide http://purl.obolibrary.org/obo/CHEBI_145770 3_STAR CHEBI:145771 biolink:ChemicalSubstance alpha-Neu5d5N;1,5-lactam-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc6SO3Na-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-O{[2-(C14H29)]C16H32} A neoglycolipid consisting of a linear pentasaccharide made up from one lactamized sialyl residue, two galactose residues, one N-acetyl-6-sulfonatoglucosamine residue (with associated sodium cation) and one glucose residue, which at the reducing end is attached glycosidically to a 2-(tetradecyl)hexadecyl group. PMID:16133830 chebi.json sodium 2-tetradecylhexadecyl 3-O-{(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl}-beta-D-galactosyl-(1->4)-N-acetyl-6-O-sulfonato-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucoside|lactamized-sialyl 6-O-sulfo sialylparagloboside|2-(tetradecyl)hexadecyl (5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranosyl 1,5-lactam)-(2->3)-(beta-D-galactopyranosyl)-( 1->4)-(2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl)-(1->3)-(beta-D-galactopyranosyl)-(1->4)-beta-D-glucopyranoside sodium salt|lactamized-sialyl 6-O-sulfo SPG|sodium 2-tetradecylhexadecyl 3-O-{(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl}-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfonato-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_145771 3_STAR CHEBI:94 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_94 CHEBI:131142 biolink:ChemicalSubstance N-[3-(1H-benzimidazol-2-yl)-5-(1-piperazinylmethyl)phenyl]-2-quinoxalinecarboxamide LINCS:LSM-42691 chebi.json http://purl.obolibrary.org/obo/CHEBI_131142 2_STAR CHEBI:131143 biolink:ChemicalSubstance 2-benzamido-1-(3-phenylpropyl)-5-benzimidazolecarboxylic acid methyl ester LINCS:LSM-42692 chebi.json http://purl.obolibrary.org/obo/CHEBI_131143 2_STAR CHEBI:131144 biolink:ChemicalSubstance [(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]-2-pyrrolidinyl]methanol LINCS:LSM-42693 chebi.json http://purl.obolibrary.org/obo/CHEBI_131144 2_STAR CHEBI:51390 biolink:ChemicalSubstance meso-decamethylcalix[5]pyrrole Beilstein:9238703 chebi.json 2,2,7,7,12,12,17,17,22,22-decamethyl-26,27,28,29,30-pentaazahexacyclo[21.2.1.1(3,6).18,11.1(13,16).1(18,21)]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene http://purl.obolibrary.org/obo/CHEBI_51390 3_STAR CHEBI:131145 biolink:ChemicalSubstance eicosanoic acid [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-(1-oxopentadecoxy)propan-2-yl] ester HMDB:HMDB0008899|LINCS:LSM-42694 chebi.json http://purl.obolibrary.org/obo/CHEBI_131145 2_STAR CHEBI:51391 biolink:ChemicalSubstance calix[6]pyrrole chebi.json 31,32,33,34,35,36-hexaazaheptacyclo[26.2.1.1(3,6).1(8,11).1(13,16).1(18,21).1(23,26)]hexatriaconta-1(30),3,5,8,10,13,15,18,20,23,25,28-dodecaene http://purl.obolibrary.org/obo/CHEBI_51391 3_STAR CHEBI:131146 biolink:ChemicalSubstance 4-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxolanone LINCS:LSM-42697 chebi.json dihydroouabain http://purl.obolibrary.org/obo/CHEBI_131146 2_STAR CHEBI:99370 biolink:ChemicalSubstance 1-[(4R,7R,8R)-5-(cyclopropylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-methoxyphenyl)urea LINCS:LSM-10749 chebi.json http://purl.obolibrary.org/obo/CHEBI_99370 2_STAR CHEBI:131147 biolink:ChemicalSubstance 3,5,14-trihydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carboxaldehyde LINCS:LSM-42698 chebi.json http://purl.obolibrary.org/obo/CHEBI_131147 2_STAR CHEBI:99371 biolink:ChemicalSubstance 1-(3,5-dimethyl-4-isoxazolyl)-3-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea LINCS:LSM-10750 chebi.json http://purl.obolibrary.org/obo/CHEBI_99371 2_STAR CHEBI:99372 biolink:ChemicalSubstance (2R,3R,3aS,9bS)-7-(3-fluorophenyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-1-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide LINCS:LSM-10751 chebi.json http://purl.obolibrary.org/obo/CHEBI_99372 2_STAR CHEBI:131148 biolink:ChemicalSubstance 2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(3R,6S,7S,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide LINCS:LSM-42703 chebi.json http://purl.obolibrary.org/obo/CHEBI_131148 2_STAR CHEBI:99373 biolink:ChemicalSubstance (2S,3S,4S)-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile LINCS:LSM-10752 chebi.json http://purl.obolibrary.org/obo/CHEBI_99373 2_STAR CHEBI:131149 biolink:ChemicalSubstance 5-hexynoic acid [(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] ester LINCS:LSM-42704 chebi.json http://purl.obolibrary.org/obo/CHEBI_131149 2_STAR CHEBI:51396 biolink:ChemicalSubstance dinitrobenzene Any member of the class of nitrobenzenes that consists of a benzene ring substituted by two nitro groups. A closed class. Wikipedia:Dinitrobenzene chebi.json Dinitrobenzol|dinitrobenzene http://purl.obolibrary.org/obo/CHEBI_51396 3_STAR CHEBI:99374 biolink:ChemicalSubstance 2-[(3S,6aS,8R,10aS)-3-hydroxy-1-[4-oxanyl(oxo)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide LINCS:LSM-10753 chebi.json http://purl.obolibrary.org/obo/CHEBI_99374 2_STAR CHEBI:99375 biolink:ChemicalSubstance LSM-10754 LINCS:LSM-10754 chebi.json http://purl.obolibrary.org/obo/CHEBI_99375 2_STAR CHEBI:51397 biolink:ChemicalSubstance 1,3-dinitrobenzene A dinitrobenzene that is benzene disubstituted at positions 1 and 3 with nitro groups. PMID:9291486|Reaxys:1105654|PPDB:1637|PMID:12119003|PMID:7744316|PDBeChem:NIN|CAS:99-65-0|MetaCyc:13-DINITROBENZENE|Beilstein:1105654 chebi.json m-DNB|DINITROPHENYLENE|2,4-Dinitrobenzene|1,3-dinitrobenzene|meta-Dinitrobenzene|1,3-Dinitrobenzol|1,3-dinitrobenzene|m-Dinitrobenzene http://purl.obolibrary.org/obo/CHEBI_51397 3_STAR CHEBI:51398 biolink:ChemicalSubstance 1,4-dinitrobenzene A dinitrobenzene carrying nitro groups at positions 1 and 4. CAS:100-25-4|Reaxys:1105828|PMID:749274|PMID:24752547|Beilstein:1105828 chebi.json p-Dinitrobenzene|1,4-dinitrobenzene|1,4-dinitrobenzene http://purl.obolibrary.org/obo/CHEBI_51398 3_STAR CHEBI:99376 biolink:ChemicalSubstance N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-5-methyl-3-isoxazolecarboxamide LINCS:LSM-10755 chebi.json http://purl.obolibrary.org/obo/CHEBI_99376 2_STAR CHEBI:51399 biolink:ChemicalSubstance circumcircumpyrene chebi.json http://purl.obolibrary.org/obo/CHEBI_51399 3_STAR CHEBI:99377 biolink:ChemicalSubstance N-[2-[(2S,5R,6S)-5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-pyrazinecarboxamide LINCS:LSM-10756 chebi.json http://purl.obolibrary.org/obo/CHEBI_99377 2_STAR CHEBI:51392 biolink:ChemicalSubstance substituted calixpyrrole chebi.json substituted calixpyrroles http://purl.obolibrary.org/obo/CHEBI_51392 3_STAR CHEBI:170790 biolink:ChemicalSubstance TG(20:2n6/16:0/18:3(9Z,12Z,15Z)) HMDB:HMDB0053296|Chemspider:59662021 chebi.json [(2S)-2-hexadecanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170790 2_STAR CHEBI:99378 biolink:ChemicalSubstance 1-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(2-pyridinylmethyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea LINCS:LSM-10757 chebi.json http://purl.obolibrary.org/obo/CHEBI_99378 2_STAR CHEBI:170791 biolink:ChemicalSubstance PE(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)) LIPID_MAPS_instance:LMGP02010893|Chemspider:24768750|HMDB:HMDB0009299 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170791 2_STAR CHEBI:99379 biolink:ChemicalSubstance 2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide LINCS:LSM-10758 chebi.json http://purl.obolibrary.org/obo/CHEBI_99379 2_STAR CHEBI:51393 biolink:ChemicalSubstance meso-dodecamethylcalix[6]pyrrole Beilstein:8666688 chebi.json 2,2,7,7,12,12,17,17,22,22,27,27-dodecamethyl-31,32,33,34,35,36-hexaazaheptacyclo[26.2.1.1(3,6).1(8,11).1(13,16).1(18,21).1(23,26)]hexatriaconta-1(30),3,5,8,10,13,15,18,20,23,25,28-dodecaene http://purl.obolibrary.org/obo/CHEBI_51393 3_STAR CHEBI:131140 biolink:ChemicalSubstance LSM-42688 LINCS:LSM-42688 chebi.json http://purl.obolibrary.org/obo/CHEBI_131140 2_STAR CHEBI:170792 biolink:ChemicalSubstance PE(20:2(11Z,14Z)/20:3(5Z,8Z,11Z)) HMDB:HMDB0009298|Chemspider:24768749 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170792 2_STAR CHEBI:51394 biolink:ChemicalSubstance beta-decafluoro-meso-decamethylcalix[5]pyrrole Beilstein:8891320 chebi.json 4,5,9,10,14,15,19,20,24,25-decafluoro-2,2,7,7,12,12,17,17,22,22-decamethyl-26,27,28,29,30-pentaazahexacyclo[21.2.1.1(3,6).18,11.1(13,16).1(18,21)]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene http://purl.obolibrary.org/obo/CHEBI_51394 3_STAR CHEBI:170793 biolink:ChemicalSubstance TG(20:2n6/14:0/20:3n6) HMDB:HMDB0053265|Chemspider:59661992 chebi.json [(2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-2-tetradecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170793 2_STAR CHEBI:131141 biolink:ChemicalSubstance 8-hydroxy-N-[3-(2-imidazo[1,2-a]pyridinyl)phenyl]-2-oxo-1-benzopyran-3-carboxamide LINCS:LSM-42689 chebi.json http://purl.obolibrary.org/obo/CHEBI_131141 2_STAR CHEBI:51395 biolink:ChemicalSubstance calix[5]pyrrole chebi.json 26,27,28,29,30-pentaazahexacyclo[21.2.1.1(3,6).18,11.1(13,16).1(18,21)]triaconta-1(25),3,5,8,10,13,15,18,20,23-decaene http://purl.obolibrary.org/obo/CHEBI_51395 3_STAR CHEBI:145761 biolink:ChemicalSubstance indolylacryloylglycine Wikipedia:Indolyl-3-acryloylglycine|HMDB:HMDB0006005 chebi.json http://purl.obolibrary.org/obo/CHEBI_145761 2_STAR CHEBI:145762 biolink:ChemicalSubstance 19-hydroxydeoxycorticosterone HMDB:HMDB0012612 chebi.json http://purl.obolibrary.org/obo/CHEBI_145762 2_STAR CHEBI:145763 biolink:ChemicalSubstance 6-ketoestriol A 3-hydroxy steroid that is estriol carrying an oxo group at position 6. CAS:7323-86-6|LIPID_MAPS_instance:LMST02010053|HMDB:HMDB0000530|PMID:30450336|FooDB:FDB022098|PMID:14412941 chebi.json 6-oxoestratriol|3,16alpha,17beta-trihydroxyestra-1,3,5(10)-trien-6-one|6-oxo-estriol|6-oxoestriol|(1R,2R,3aS,3bR,9bS,11aS)-1,2,7-trihydroxy-11a-methyl-1,2,3,3a,3b,4,9b,10,11,11a-decahydro-5H-cyclopenta[a]phenanthren-5-one|6-oxo-16alpha,17beta-estriol http://purl.obolibrary.org/obo/CHEBI_145763 3_STAR CHEBI:145764 biolink:ChemicalSubstance 16-sinapoyloxypalmitic acid A carboxylic ester resulting from the formal condensation of the carboxy group of trans-sinapic acid with the hydroxy group of 16-hydroxyhexadecanoic acid. chebi.json omega-sinapoyloxypalmitic acid|16-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}hexadecanoic acid|(E)-16-(3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyloxy)hexadecanoic acid http://purl.obolibrary.org/obo/CHEBI_145764 3_STAR CHEBI:145765 biolink:ChemicalSubstance 16-sinapoyloxypalmitate A monocarboxylic acid anion that is the conjugate base of 16-sinapoyloxypalmitic acid resulting from the deprotonation of the carboxy group. MetaCyc:CPD-14765 chebi.json omega-sinapoyloxypalmitate|16-{[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}hexadecanoate|(E)-16-(3-(4-hydroxy-3,5-dimethoxyphenyl)acryloyloxy)hexadecanoate http://purl.obolibrary.org/obo/CHEBI_145765 3_STAR CHEBI:51389 biolink:ChemicalSubstance calixpyrroles Compounds containing a calixpyrrole skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51389 3_STAR CHEBI:145766 biolink:ChemicalSubstance quercetin 3-O-gentiotetroside A quercetin O-glucoside that is quercetin attached to a beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside residue at position 3 via a glycosidic linkage. PMID:19561332|MetaCyc:CPD-14822 chebi.json quercetin-3-gentiotetraside|2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_145766 3_STAR CHEBI:145767 biolink:ChemicalSubstance alpha-Neu5d5N;1,5-lactam-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc6S-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0) A sialopentaosylceramide consisting of a branched hexasaccharide made up from one lactamized sialyl residue, two galactose residues, one L-fucose residue, one N-acetyl-6-sulfoglucosamine residue and one glucose residue, which at the reducing end is attached to a d18:1/18:0 ceramide moiety via a beta-linkage; commonly known as lactamized sialyl 6-sulfo Lewis X ganglioside. PMID:16133830 chebi.json N-[(1S,2R,3E)-1-[[[O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[3-O-[(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]oct-1-yl]-beta-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]octadecanamide|alpha-Neup5N;1,5-lactam-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer(d18:1/18:0)|N-[(2S,3R,4E)-1-{[alpha-L-fucopyranosyl-(1->3)-[3-O-{(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl}-beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide|N-[(2S,3R,4E)-1-{[6-deoxy-alpha-L-galactopyranosyl-(1->3)-[3-O-{(3R,4R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl}-beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide http://purl.obolibrary.org/obo/CHEBI_145767 3_STAR CHEBI:145768 biolink:ChemicalSubstance apigenin-7-O-gentiobioside A glycosyloxyflavone that is apigenin substituted by a 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside group at position 7. PMID:19336929|PMID:19561332|PMID:25921859|PMID:27375675|MetaCyc:CPD-14824 chebi.json 5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|apigenin 7-O-Glc-(1->6)-Glc|apigenin 7-O-gentiobioside http://purl.obolibrary.org/obo/CHEBI_145768 3_STAR CHEBI:131117 biolink:ChemicalSubstance (1R,2aR,8bR)-N-(3-chlorophenyl)-1-(hydroxymethyl)-2-(4-oxanylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide LINCS:LSM-42665 chebi.json http://purl.obolibrary.org/obo/CHEBI_131117 2_STAR CHEBI:131118 biolink:ChemicalSubstance LSM-42666 LINCS:LSM-42666 chebi.json http://purl.obolibrary.org/obo/CHEBI_131118 2_STAR CHEBI:131119 biolink:ChemicalSubstance N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-3-(4-morpholinyl)propanamide LINCS:LSM-42667 chebi.json http://purl.obolibrary.org/obo/CHEBI_131119 2_STAR CHEBI:106160 biolink:ChemicalSubstance N-[[(2S,3S)-8-(2-cyclopentylethynyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-4-pyridinecarboxamide LINCS:LSM-17521 chebi.json http://purl.obolibrary.org/obo/CHEBI_106160 2_STAR CHEBI:106161 biolink:ChemicalSubstance (2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-8-(2-methylphenyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17522 chebi.json http://purl.obolibrary.org/obo/CHEBI_106161 2_STAR CHEBI:106162 biolink:ChemicalSubstance N-[[(2S,3R)-8-(1-cyclopentenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridinecarboxamide LINCS:LSM-17523 chebi.json http://purl.obolibrary.org/obo/CHEBI_106162 2_STAR CHEBI:145760 biolink:ChemicalSubstance 7beta-hydroxy-3-oxo-5alpha-cholan-24-oic acid A bile acid that is 5alpha-cholan-24-oic acid carrying an oxo group at position 3 and a hydroxy group at position 7beta. PMID:2338448|CAS:77059-13-3|FooDB:FDB022058|HMDB:HMDB0000460 chebi.json (5alpha,7beta)-7-hydroxy-3-oxo-cholan-24-oic acid|7beta-hydroxy-3-oxo-5alpha-cholan-24-oic acid|7-hydroxy-3-oxo-(5alpha,7beta)-cholan-24-Oic acid|7-hydroxy-3-oxocholanoic acid|(5alpha,7beta)-7-hydroxy-3-oxo-cholanoic acid http://purl.obolibrary.org/obo/CHEBI_145760 3_STAR CHEBI:106163 biolink:ChemicalSubstance LSM-17524 LINCS:LSM-17524 chebi.json http://purl.obolibrary.org/obo/CHEBI_106163 2_STAR CHEBI:106153 biolink:ChemicalSubstance LSM-17514 LINCS:LSM-17514 chebi.json http://purl.obolibrary.org/obo/CHEBI_106153 2_STAR CHEBI:131110 biolink:ChemicalSubstance [(1S)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-phenylmethanone LINCS:LSM-42658 chebi.json http://purl.obolibrary.org/obo/CHEBI_131110 2_STAR CHEBI:106154 biolink:ChemicalSubstance N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide LINCS:LSM-17515 chebi.json http://purl.obolibrary.org/obo/CHEBI_106154 2_STAR CHEBI:106155 biolink:ChemicalSubstance (2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-8-(2-methylphenyl)-2-[[methyl(5-pyrimidinylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17516 chebi.json http://purl.obolibrary.org/obo/CHEBI_106155 2_STAR CHEBI:131111 biolink:ChemicalSubstance 1-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea LINCS:LSM-42659 chebi.json http://purl.obolibrary.org/obo/CHEBI_131111 2_STAR CHEBI:131112 biolink:ChemicalSubstance (2S)-2-[(4R,5R)-8-[3-(dimethylamino)prop-1-ynyl]-5-[[(2-fluorophenyl)methyl-methylamino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-42660 chebi.json http://purl.obolibrary.org/obo/CHEBI_131112 2_STAR CHEBI:51380 biolink:ChemicalSubstance doxylamine CAS:469-21-6|KEGG:D07878|Drug_Central:962|Beilstein:230379|Wikipedia:Doxylamine|LINCS:LSM-1563|DrugBank:DB00366 chebi.json doxylamine|Phenyl-2-pyridylmethyl-beta-N,N-dimethylaminoethyl ether|Dossilamina|2-Dimethylaminoethoxyphenylmethyl-2-picoline|doxilamina|2-(alpha-(2-(Dimethylamino)ethoxy)-alpha-methylbenzyl)pyridine|N,N-Dimethyl-2-(1-phenyl-1-(2-pyridinyl)ethoxy)ethanamine|Doxilminio|doxylaminum|doxylamine|N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine http://purl.obolibrary.org/obo/CHEBI_51380 3_STAR CHEBI:106156 biolink:ChemicalSubstance 1-[[(2S,3S)-8-(2-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methyl-3-propylurea LINCS:LSM-17517 chebi.json http://purl.obolibrary.org/obo/CHEBI_106156 2_STAR CHEBI:131113 biolink:ChemicalSubstance N-(2-aminophenyl)-4-[[[(2R,3R)-10-[[anilino(oxo)methyl]amino]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl-methylamino]methyl]benzamide LINCS:LSM-42661 chebi.json http://purl.obolibrary.org/obo/CHEBI_131113 2_STAR CHEBI:106157 biolink:ChemicalSubstance N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide LINCS:LSM-17518 chebi.json http://purl.obolibrary.org/obo/CHEBI_106157 2_STAR CHEBI:131114 biolink:ChemicalSubstance (6S,7R,8S)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-4-[oxo(2-pyrazinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one LINCS:LSM-42662 chebi.json http://purl.obolibrary.org/obo/CHEBI_131114 2_STAR CHEBI:106158 biolink:ChemicalSubstance N-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide LINCS:LSM-17519 chebi.json http://purl.obolibrary.org/obo/CHEBI_106158 2_STAR CHEBI:106159 biolink:ChemicalSubstance 2-(dimethylamino)-N-[[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylacetamide LINCS:LSM-17520 chebi.json http://purl.obolibrary.org/obo/CHEBI_106159 2_STAR CHEBI:131115 biolink:ChemicalSubstance (8R,9R,10R)-N-cyclopentyl-10-(hydroxymethyl)-9-[4-(3-pyridinyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide LINCS:LSM-42663 chebi.json http://purl.obolibrary.org/obo/CHEBI_131115 2_STAR CHEBI:131116 biolink:ChemicalSubstance LSM-42664 LINCS:LSM-42664 chebi.json http://purl.obolibrary.org/obo/CHEBI_131116 2_STAR CHEBI:145769 biolink:ChemicalSubstance L-canaline zwitterion An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of L-canaline; major species at pH 7.3. PMID:27419063|MetaCyc:L-CANALINE chebi.json (2S)-4-(aminooxy)-2-azaniumylbutanoate|L-canaline http://purl.obolibrary.org/obo/CHEBI_145769 3_STAR CHEBI:51385 biolink:ChemicalSubstance circumcircumcoronene Beilstein:2496419|Gmelin:2047616 chebi.json http://purl.obolibrary.org/obo/CHEBI_51385 3_STAR CHEBI:51386 biolink:ChemicalSubstance circumcoronene Beilstein:2495518|Gmelin:2653231 chebi.json http://purl.obolibrary.org/obo/CHEBI_51386 3_STAR CHEBI:51387 biolink:ChemicalSubstance calix(hetero)arene A calixaromatic compound composed of heteroarylene groups. chebi.json calixheteroarene|calixheteroarenes|calix(hetero)arenes http://purl.obolibrary.org/obo/CHEBI_51387 3_STAR CHEBI:51388 biolink:ChemicalSubstance calixpyrrole A macrocycle composed of pyrrole-2,5-diyl groups linked by methylene groups. The number of pyrrole-2,5-diyl units in the macrocycle is denoted by the "n" in calix[n]pyrrole name. chebi.json calix[n]pyrrole|calixpyrroles|calix[n]pyrroles http://purl.obolibrary.org/obo/CHEBI_51388 3_STAR CHEBI:51381 biolink:ChemicalSubstance succinate salt A salt of succinic acid. chebi.json http://purl.obolibrary.org/obo/CHEBI_51381 3_STAR CHEBI:51382 biolink:ChemicalSubstance hydridocarbon chebi.json hydridocarbon http://purl.obolibrary.org/obo/CHEBI_51382 3_STAR CHEBI:51383 biolink:ChemicalSubstance hydridocarbon(3.) Gmelin:24689|Beilstein:7801830 chebi.json hydridocarbon(3.)|carbyne|hydridocarbon(3.) (quartet)|CH(3.)|methylidyne|methanetriyl http://purl.obolibrary.org/obo/CHEBI_51383 3_STAR CHEBI:51384 biolink:ChemicalSubstance D-ascorbic acid CAS:10504-35-5|Beilstein:84273 chebi.json D-threo-hex-2-enono-1,4-lactone|D-threo-hex-2-enoic acid gamma-lactone|D-xyloascorbic acid|D-lyxoascorbic acid|(5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one http://purl.obolibrary.org/obo/CHEBI_51384 3_STAR CHEBI:145750 biolink:ChemicalSubstance PE(24:1(15Z)/18:4(6Z,9Z,12Z,15Z)) HMDB:HMDB0009756 chebi.json http://purl.obolibrary.org/obo/CHEBI_145750 2_STAR CHEBI:145751 biolink:ChemicalSubstance Asn-Arg A dipeptide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of L-arginine. HMDB:HMDB0028725|PMID:12527415 chebi.json L-asparaginyl-L-arginine|NR|asparagine-arginine dipeptide|N-R|L-Asn-L-Arg http://purl.obolibrary.org/obo/CHEBI_145751 3_STAR CHEBI:145752 biolink:ChemicalSubstance 3-hydroxy-3-(3,4-dihydroxyphenyl)propanoyl-CoA(4-) MetaCyc:CPD-21376 chebi.json 3-hydroxy-3-(3,4-dihydroxyphenyl)propanoyl-CoA http://purl.obolibrary.org/obo/CHEBI_145752 2_STAR CHEBI:145753 biolink:ChemicalSubstance L-lyxonate A lyxonate that is the conjugate base of L-lyxonic acid, obtained by the deprotonation of the carboxy group. PMID:18754693|PMID:30316512|MetaCyc:CPD0-1198|PMID:24831290 chebi.json L-lyxonate|L-lyxonate|(2R,3R,4S)-2,3,4,5-tetrahydroxypentanoate http://purl.obolibrary.org/obo/CHEBI_145753 3_STAR CHEBI:145754 biolink:ChemicalSubstance alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc6S-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/18:0) A sialopentaosylceramide consisting of a branched hexasaccharide made up from one sialyl residue, two galactose residues, one L-fucose residue, one N-acetyl-6-sulfoglucosamine residue and one glucose residue, which at the reducing end is attached to a d18:1/18:0 ceramide moiety via a beta-linkage; commonly known as sialyl 6-sulfo Lewis X. PMID:9990070 chebi.json N-[(1S,2R,3E)-1-[[[O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy]methyl]-2-hydroxy-3-heptadecen-1-yl]octadecanamide|alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc6S-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer(d18:1/18:0)|(2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|(2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-enyl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulonosyl-(2->3)-beta-D-galactosyl-(1->4)-[6-deoxy-alpha-L-galactosyl-(1->3)]-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucosyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucoside|(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside|sialyl 6-sulfo Lewis X|N-[(1S,2R,3E)-1-({[O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-O-2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}methyl)-2-hydroxy-3-heptadecen-1-yl]octadecanamide http://purl.obolibrary.org/obo/CHEBI_145754 3_STAR CHEBI:51378 biolink:ChemicalSubstance 1,3-dimethylimidazol-2-ylidene Beilstein:5424330|Gmelin:814508 chebi.json 1,3-dimethyl-1,3-dihydro-2H-imidazol-2-ylidene http://purl.obolibrary.org/obo/CHEBI_51378 3_STAR CHEBI:51379 biolink:ChemicalSubstance imidazol-2-ylidene Beilstein:1560966 chebi.json 1,3-dihydro-2H-imidazol-2-ylidene http://purl.obolibrary.org/obo/CHEBI_51379 3_STAR CHEBI:145755 biolink:ChemicalSubstance lyxonic acid A pentonic acid resulting from the formal oxidation of the aldehyde group of lyxose to the corresponding carboxylic acid. chebi.json http://purl.obolibrary.org/obo/CHEBI_145755 3_STAR CHEBI:145756 biolink:ChemicalSubstance lyxonate A pentonate resulting from the deprotonation of the carboxy group of a lyxonic acid. chebi.json http://purl.obolibrary.org/obo/CHEBI_145756 3_STAR CHEBI:145757 biolink:ChemicalSubstance deoxycholic acid 3-glucuronide HMDB:HMDB0002596|LIPID_MAPS_instance:LMST05010046 chebi.json http://purl.obolibrary.org/obo/CHEBI_145757 2_STAR CHEBI:131128 biolink:ChemicalSubstance 2-[(3R,6aR,8S,10aR)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide LINCS:LSM-42676 chebi.json http://purl.obolibrary.org/obo/CHEBI_131128 2_STAR CHEBI:131129 biolink:ChemicalSubstance (5R,8S)-8-[(4-methoxyphenyl)methyl]-5-phenyl-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one LINCS:LSM-42677 chebi.json http://purl.obolibrary.org/obo/CHEBI_131129 2_STAR CHEBI:106150 biolink:ChemicalSubstance 4-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(4-methylpent-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzenesulfonamide LINCS:LSM-17511 chebi.json http://purl.obolibrary.org/obo/CHEBI_106150 2_STAR CHEBI:106151 biolink:ChemicalSubstance N-[[(4S,5S)-8-[2-(2-fluorophenyl)ethynyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide LINCS:LSM-17512 chebi.json http://purl.obolibrary.org/obo/CHEBI_106151 2_STAR CHEBI:106152 biolink:ChemicalSubstance N-[[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-pent-1-ynyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylbenzamide LINCS:LSM-17513 chebi.json http://purl.obolibrary.org/obo/CHEBI_106152 2_STAR CHEBI:106142 biolink:ChemicalSubstance LSM-17503 LINCS:LSM-17503 chebi.json http://purl.obolibrary.org/obo/CHEBI_106142 2_STAR CHEBI:131120 biolink:ChemicalSubstance 3-[(3aS,4R,9bS)-4-(hydroxymethyl)-1-(2-methoxy-1-oxoethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]-N,N-dimethylbenzamide LINCS:LSM-42668 chebi.json http://purl.obolibrary.org/obo/CHEBI_131120 2_STAR CHEBI:106143 biolink:ChemicalSubstance N-[[(2R,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide LINCS:LSM-17504 chebi.json http://purl.obolibrary.org/obo/CHEBI_106143 2_STAR CHEBI:131121 biolink:ChemicalSubstance (1R)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[oxo(3-pyridinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide LINCS:LSM-42669 chebi.json http://purl.obolibrary.org/obo/CHEBI_131121 2_STAR CHEBI:106144 biolink:ChemicalSubstance (2S)-2-[(4R,5S)-4-methyl-8-(4-methylphenyl)-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17505 chebi.json http://purl.obolibrary.org/obo/CHEBI_106144 2_STAR CHEBI:99390 biolink:ChemicalSubstance 2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide LINCS:LSM-10769 chebi.json http://purl.obolibrary.org/obo/CHEBI_99390 2_STAR CHEBI:131122 biolink:ChemicalSubstance 1-[(1S,2aR,8bR)-1-(hydroxymethyl)-2-(3-pyridinylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-3,3,3-trifluoro-1-propanone LINCS:LSM-42670 chebi.json http://purl.obolibrary.org/obo/CHEBI_131122 2_STAR CHEBI:131123 biolink:ChemicalSubstance [(8S,9R,10R)-9-[4-(1-cyclopentenyl)phenyl]-6-(3,3,3-trifluoropropyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol LINCS:LSM-42671 chebi.json http://purl.obolibrary.org/obo/CHEBI_131123 2_STAR CHEBI:99391 biolink:ChemicalSubstance (2S,3R,4S)-1-(5-ethyl-2-thiazolyl)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile LINCS:LSM-10770 chebi.json http://purl.obolibrary.org/obo/CHEBI_99391 2_STAR CHEBI:106145 biolink:ChemicalSubstance N-[[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-8-(5-pyrimidinyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-phenylacetamide LINCS:LSM-17506 chebi.json http://purl.obolibrary.org/obo/CHEBI_106145 2_STAR CHEBI:131124 biolink:ChemicalSubstance cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2,9-dimethyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone LINCS:LSM-42672 chebi.json http://purl.obolibrary.org/obo/CHEBI_131124 2_STAR CHEBI:99392 biolink:ChemicalSubstance 2-[(3S,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(2-methoxyethyl)acetamide LINCS:LSM-10771 chebi.json http://purl.obolibrary.org/obo/CHEBI_99392 2_STAR CHEBI:106146 biolink:ChemicalSubstance N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-N-methylbenzamide LINCS:LSM-17507 chebi.json http://purl.obolibrary.org/obo/CHEBI_106146 2_STAR CHEBI:131125 biolink:ChemicalSubstance (2R,3S)-1-acetyl-2-(hydroxymethyl)-N-(3-methoxyphenyl)-3-phenyl-1,6-diazaspiro[3.3]heptane-6-carboxamide LINCS:LSM-42673 chebi.json http://purl.obolibrary.org/obo/CHEBI_131125 2_STAR CHEBI:106147 biolink:ChemicalSubstance LSM-17508 LINCS:LSM-17508 chebi.json http://purl.obolibrary.org/obo/CHEBI_106147 2_STAR CHEBI:99393 biolink:ChemicalSubstance LSM-10772 LINCS:LSM-10772 chebi.json http://purl.obolibrary.org/obo/CHEBI_99393 2_STAR CHEBI:106148 biolink:ChemicalSubstance 1-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea LINCS:LSM-17509 chebi.json http://purl.obolibrary.org/obo/CHEBI_106148 2_STAR CHEBI:131126 biolink:ChemicalSubstance 1-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(2-pyridinylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone LINCS:LSM-42674 chebi.json http://purl.obolibrary.org/obo/CHEBI_131126 2_STAR CHEBI:99394 biolink:ChemicalSubstance 2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-phenoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid LINCS:LSM-10773 chebi.json http://purl.obolibrary.org/obo/CHEBI_99394 2_STAR CHEBI:99395 biolink:ChemicalSubstance N-[(2S,3R)-4-[benzenesulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide LINCS:LSM-10774 chebi.json http://purl.obolibrary.org/obo/CHEBI_99395 2_STAR CHEBI:131127 biolink:ChemicalSubstance N-[(2R,3R)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-2-(1-methyl-3-indolyl)acetamide LINCS:LSM-42675 chebi.json http://purl.obolibrary.org/obo/CHEBI_131127 2_STAR CHEBI:106149 biolink:ChemicalSubstance N-[[(4R,5S)-8-[2-(2-fluorophenyl)ethynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide LINCS:LSM-17510 chebi.json http://purl.obolibrary.org/obo/CHEBI_106149 2_STAR CHEBI:51374 biolink:ChemicalSubstance GABA agent A substance, such as agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function, used for its pharmacological actions on GABAergic systems. chebi.json http://purl.obolibrary.org/obo/CHEBI_51374 3_STAR CHEBI:145758 biolink:ChemicalSubstance D-lyxonate A lyxonate that is the conjugate base of D-lyxonic acid, obtained by the deprotonation of the carboxy group. PMID:15884104|MetaCyc:CPD-8902|PMID:1954634|PMID:15968624 chebi.json (2S,3S,4R)-2,3,4,5-tetrahydroxypentanoate|D-lyxonate http://purl.obolibrary.org/obo/CHEBI_145758 3_STAR CHEBI:99396 biolink:ChemicalSubstance N-[(5S,6R,9R)-8-[(2-fluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide LINCS:LSM-10775 chebi.json http://purl.obolibrary.org/obo/CHEBI_99396 2_STAR CHEBI:99397 biolink:ChemicalSubstance LSM-10776 LINCS:LSM-10776 chebi.json http://purl.obolibrary.org/obo/CHEBI_99397 2_STAR CHEBI:51375 biolink:ChemicalSubstance singlet methanediyl chebi.json singlet carbene|dihydridocarbon(2.) (singlet) http://purl.obolibrary.org/obo/CHEBI_51375 3_STAR CHEBI:145759 biolink:ChemicalSubstance 3a,7b,21-trihydroxy-5b-cholanoic acid HMDB:HMDB0013192 chebi.json 3alpha,7beta,21-trihydroxy-5beta-cholanoic acid http://purl.obolibrary.org/obo/CHEBI_145759 2_STAR CHEBI:51376 biolink:ChemicalSubstance triplet methanediyl chebi.json dihydridocarbon(2.) (triplet)|triplet carbene http://purl.obolibrary.org/obo/CHEBI_51376 3_STAR CHEBI:99398 biolink:ChemicalSubstance 1-[(5S,6S,9S)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea LINCS:LSM-10777 chebi.json http://purl.obolibrary.org/obo/CHEBI_99398 2_STAR CHEBI:99399 biolink:ChemicalSubstance 2-[(1S,3R,4aS,9aR)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester LINCS:LSM-10778 chebi.json http://purl.obolibrary.org/obo/CHEBI_99399 2_STAR CHEBI:51377 biolink:ChemicalSubstance imidazol-2-ylidenes Carbenes containing an imidazol-2-ylidene skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51377 3_STAR CHEBI:51370 biolink:ChemicalSubstance dichlorocarbene CAS:1605-72-7|CAS:1605-72-7|Beilstein:1616279|Gmelin:200357 chebi.json dichloridocarbon(2.)|dichloromethylene|dichloromethylidene http://purl.obolibrary.org/obo/CHEBI_51370 3_STAR CHEBI:51371 biolink:ChemicalSubstance muscle relaxant A drug used to produce muscle relaxation (excepting neuromuscular blocking agents). Its primary clinical and therapeutic use is the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. Also used for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in multiple sclerosis. chebi.json muscle relaxants http://purl.obolibrary.org/obo/CHEBI_51371 3_STAR CHEBI:51372 biolink:ChemicalSubstance neuromuscular agent A drug used for its actions on skeletal muscle. chebi.json http://purl.obolibrary.org/obo/CHEBI_51372 3_STAR CHEBI:51373 biolink:ChemicalSubstance GABA agonist A drug that binds to and activates gamma-aminobutyric acid receptors. chebi.json gamma-aminobutyric acid receptor agonist|GABA agonists|GABA receptor agonists|GABA receptor agonist|gamma-aminobutyric acid receptor agonists http://purl.obolibrary.org/obo/CHEBI_51373 3_STAR CHEBI:145740 biolink:ChemicalSubstance gamma-decalactone A gamma-lactone that is oxolan-2-one substituted by a hexyl group at position 5. Reaxys:117547|PMID:19680818|FooDB:FDB008393|HMDB:HMDB0037217|PMID:18642100|PMID:17208256|PMID:31337188|PMID:19902280|PMID:9357017|Wikipedia:Gamma-Decalactone|CAS:706-14-9|PMID:18251015|PMID:29886835|CAS:706-14-9 chebi.json 5-hexyloxolan-2-one|5-hexyldihydrofuran-2(3H)-one|5-hexyldihydro-2(3H)-furanone|gamma-n-decalactone|gamma-decanolactone|decan-4-olide|4-decanolide|5-hexyltetrahydro-2-furanone|gamma-n-hexyl-gamma-butyrolactone|gamma-hexyl-gamma-butyrolactone|4-hydroxydecanoic acid gamma-lactone|4-hexyl-gamma-butyrolactone http://purl.obolibrary.org/obo/CHEBI_145740 3_STAR CHEBI:145741 biolink:ChemicalSubstance geranyl isobutyrate chebi.json http://purl.obolibrary.org/obo/CHEBI_145741 2_STAR CHEBI:145742 biolink:ChemicalSubstance (Z)-3-amino-2-methylacrylic acid An alpha,beta-unsaturated monocarboxylic acid that is methacrylic acid (2-methylacrylic acid) in which the pro-Z hydrogen at the beta position has been replaced by an amino group. MetaCyc:CPD-22332|PMID:20400551 chebi.json (2Z)-3-amino-2-methylacrylic acid|(Z)-2-methylaminoacrylic acid http://purl.obolibrary.org/obo/CHEBI_145742 3_STAR CHEBI:51367 biolink:ChemicalSubstance vinyl carbene Carbenes having a vinylic group on a carbenic carbon atom, RR'C=CR''-C(2.)-R'''. chebi.json vinyl carbenes|RR'C=CR''-C(2.)-R'''|vinyl carbenes http://purl.obolibrary.org/obo/CHEBI_51367 3_STAR CHEBI:145743 biolink:ChemicalSubstance aromandendrene chebi.json http://purl.obolibrary.org/obo/CHEBI_145743 2_STAR CHEBI:51368 biolink:ChemicalSubstance lofexidine Patent:DE1935479|Beilstein:750704|Patent:US3966757|LINCS:LSM-4951|DrugBank:DB04948|CAS:31036-80-3|Drug_Central:1593 chebi.json 2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole|lofexidine|lofexidine|lofexidinum|lofexidina|2-(alpha-(2,6-Dichlorophenoxy)ethyl)2-imidazoline http://purl.obolibrary.org/obo/CHEBI_51368 3_STAR CHEBI:145744 biolink:ChemicalSubstance hexahydrofarnesyl acetone chebi.json http://purl.obolibrary.org/obo/CHEBI_145744 2_STAR CHEBI:145745 biolink:ChemicalSubstance alpha-D-Man3Me-(1->4)-alpha-D-Man3Me A disaccharide derivative that is alpha-mannobiose in which the hydroxy group at position 3 of each mannose residue has been substituted by a methyl group. MetaCyc:CPD-22678|PMID:30606802 chebi.json 3-O-methyl-alpha-D-mannopyranosyl-(1->4)-3-O-methyl-alpha-D-mannopyranose|3,3'-di-O-methyl-4alpha-mannobiose|3,3'-bis-O-methyl-4alpha-mannobiose http://purl.obolibrary.org/obo/CHEBI_145745 3_STAR CHEBI:51369 biolink:ChemicalSubstance N-heterocyclic carbene A compound based on a N-heterocycle containing a carbene C(2.) atom directly bonded to one or two of the heterocyclic nitrogen atoms. chebi.json NHC|N-heterocyclic carbenes http://purl.obolibrary.org/obo/CHEBI_51369 3_STAR CHEBI:145746 biolink:ChemicalSubstance 1,3,3'-tri-O-methyl-4alpha-mannobiose PMID:30606802|MetaCyc:CPD-22679 chebi.json 1,3,3'-tri-O-methyl-4alpha-mannobiose http://purl.obolibrary.org/obo/CHEBI_145746 2_STAR CHEBI:106180 biolink:ChemicalSubstance (2R,3S)-2-[(dimethylamino)methyl]-8-(4-fluorophenyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17541 chebi.json http://purl.obolibrary.org/obo/CHEBI_106180 2_STAR CHEBI:106181 biolink:ChemicalSubstance (2S,3S)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-8-(2-methoxyphenyl)-3-methyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17542 chebi.json http://purl.obolibrary.org/obo/CHEBI_106181 2_STAR CHEBI:106182 biolink:ChemicalSubstance N-[[(4R,5R)-8-(3-fluorophenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide LINCS:LSM-17543 chebi.json http://purl.obolibrary.org/obo/CHEBI_106182 2_STAR CHEBI:106183 biolink:ChemicalSubstance N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide LINCS:LSM-17544 chebi.json http://purl.obolibrary.org/obo/CHEBI_106183 2_STAR CHEBI:106184 biolink:ChemicalSubstance N-[[(2R,3R)-8-(1-cyclopentenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-pyridinecarboxamide LINCS:LSM-17545 chebi.json http://purl.obolibrary.org/obo/CHEBI_106184 2_STAR CHEBI:106185 biolink:ChemicalSubstance N-[[(2S,3S)-8-[3-(dimethylamino)prop-1-ynyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methyl-2-phenylacetamide LINCS:LSM-17546 chebi.json http://purl.obolibrary.org/obo/CHEBI_106185 2_STAR CHEBI:106175 biolink:ChemicalSubstance 3-cyclohexyl-1-[[(2R,3S)-8-(3-hydroxyhex-1-ynyl)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-1-methylurea LINCS:LSM-17536 chebi.json http://purl.obolibrary.org/obo/CHEBI_106175 2_STAR CHEBI:106176 biolink:ChemicalSubstance (2S,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17537 chebi.json http://purl.obolibrary.org/obo/CHEBI_106176 2_STAR CHEBI:106177 biolink:ChemicalSubstance LSM-17538 LINCS:LSM-17538 chebi.json http://purl.obolibrary.org/obo/CHEBI_106177 2_STAR CHEBI:106178 biolink:ChemicalSubstance N-[[(4S,5R)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide LINCS:LSM-17539 chebi.json http://purl.obolibrary.org/obo/CHEBI_106178 2_STAR CHEBI:106179 biolink:ChemicalSubstance N-[[(2S,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-fluoro-N-methylbenzamide LINCS:LSM-17540 chebi.json http://purl.obolibrary.org/obo/CHEBI_106179 2_STAR CHEBI:145747 biolink:ChemicalSubstance phosphatidylethanolamine 42:5 A phosphatidylethanolamine in which the acyl groups at C-1 and C-2 contain 42 carbons in total with 5 double bonds. PMID:28672041|PMID:29684044 chebi.json PE 42:5|PE(42:5)|phosphatidylethanolamine(42:5) http://purl.obolibrary.org/obo/CHEBI_145747 3_STAR CHEBI:51363 biolink:ChemicalSubstance carbene The electrically neutral species H2C(2.) and its derivatives, in which the carbon is covalently bonded to two univalent groups of any kind or a divalent group and bears two nonbonding electrons, which may be spin-paired (singlet state) or spin-non-paired (triplet state). chebi.json carbenes|carbenes http://purl.obolibrary.org/obo/CHEBI_51363 3_STAR CHEBI:51364 biolink:ChemicalSubstance zuclopenthixol The (Z)-isomer of clopenthixol. KEGG:D03556|CAS:53772-83-1|Drug_Central:2877|Beilstein:8447014|DrugBank:DB01624 chebi.json 2-{4-[(3Z)-3-(2-chloro-10H-dibenzo[b,e]thiopyran-10-ylidene)propyl]piperazin-1-yl}ethanol|zuclopenthixol|zuclopentixol|(Z)-4-(3-(2-Chlorothioxanthen-9-ylidene)propyl)-1-piperazineethanol|zuclopenthixolum|zuclopenthixol http://purl.obolibrary.org/obo/CHEBI_51364 3_STAR CHEBI:145748 biolink:ChemicalSubstance PE(18:4_24:1) chebi.json PE 18:4_24:1 http://purl.obolibrary.org/obo/CHEBI_145748 2_STAR CHEBI:51365 biolink:ChemicalSubstance acyl carbene Any compound acyl-C(2.)-R. In organic chemistry, an unspecified acyl carbene is commonly a carboxylic acyl carbene. chebi.json acyl carbenes http://purl.obolibrary.org/obo/CHEBI_51365 3_STAR CHEBI:145749 biolink:ChemicalSubstance PE(24:1/18:4) chebi.json PE 24:1/18:4 http://purl.obolibrary.org/obo/CHEBI_145749 2_STAR CHEBI:51366 biolink:ChemicalSubstance imidoyl carbene Carbenes having the structure R-C(=NR')-C(2.)-R''. chebi.json imidoyl carbenes|imidoyl carbenes http://purl.obolibrary.org/obo/CHEBI_51366 3_STAR CHEBI:51360 biolink:ChemicalSubstance 1-isopropylaziridine-2-carbaldehyde Beilstein:1446349 chebi.json 1-(1-methylethyl)aziridine-2-carbaldehyde|1-(propan-2-yl)aziridine-2-carbaldehyde http://purl.obolibrary.org/obo/CHEBI_51360 3_STAR CHEBI:51361 biolink:ChemicalSubstance benzotriazines Compounds based on a fused triazine and benzene ring skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51361 3_STAR CHEBI:145730 biolink:ChemicalSubstance 8-PIP-cAMP A cyclic adenyl ribonucleotide that is cAMP (cyclic adenosine 3',5'-phosphate) in which the hydrogen at position 8 has been replaced by a piperidin-1-yl group. A selective cAMP-dependent protein kinase A (PKA) activator and cAMP analogue with high selectivity for site A of PKA type I and for site B of PKA type II. PMID:21695205|PMID:25863490|PMID:26405036|PMID:9774149 chebi.json 8-piperidinoadenosine-3',5'-cyclic monophosphate|(4aR,6R,7R,7aS)-6-[6-amino-8-(piperidin-1-yl)-9H-purin-9-yl]tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide|8-piperidin-1-yladenosine 3',5'-(hydrogen phosphate) http://purl.obolibrary.org/obo/CHEBI_145730 3_STAR CHEBI:145731 biolink:ChemicalSubstance (S)-methcathinone(1+) An ammonium ion derivative that is the conjugate acid of (S)-methcathinone obtained from the protonation of the amino group. It is the major species at pH 7.3. chebi.json (S)-2-methylamino-1-phenylpropan-1-one|methyl-[(2S)-1-oxo-1-phenylpropan-2-yl]azanium|(2S)-N-methyl-1-oxo-1-phenylpropan-2-aminium|(S)-N-methyl-1-oxo-1-phenylpropan-2-aminium http://purl.obolibrary.org/obo/CHEBI_145731 3_STAR CHEBI:51356 biolink:ChemicalSubstance penicillinate anion Any anion formed by loss of a proton from the carboxy group of a penicillin. chebi.json penicillin anion|penicillin anions|penicillin http://purl.obolibrary.org/obo/CHEBI_51356 3_STAR CHEBI:145732 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_145732 CHEBI:51357 biolink:ChemicalSubstance cloxacillin sodium Beilstein:5403885|CAS:642-78-4 chebi.json cloxacillin sodium anhydrous|sodium 2,2-dimethyl-6beta-({[5-methyl-3-(2-chlorophenyl)isoxazol-4-yl]carbonyl}amino)penam-3alpha-carboxylate|monosodium cloxacillin|3-o-chlorophenyl-5-methyl-4-isoxazolylpenicillin sodium http://purl.obolibrary.org/obo/CHEBI_51357 3_STAR CHEBI:145733 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_145733 CHEBI:145734 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_145734 CHEBI:51358 biolink:ChemicalSubstance aziridine aldehyde Aziridines containing an aldehyde group. chebi.json aziridine aldehydes|aziridinoaldehydes http://purl.obolibrary.org/obo/CHEBI_51358 3_STAR CHEBI:145735 biolink:ChemicalSubstance (Z)-3-amino-2-methylacrylate A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (Z)-3-amino-2-methylacrylic acid. The major species at pH 7.3. MetaCyc:CPD-22332|PMID:20400551 chebi.json (Z)-2-methylaminoacrylate|(2Z)-3-amino-2-methylacrylate http://purl.obolibrary.org/obo/CHEBI_145735 3_STAR CHEBI:51359 biolink:ChemicalSubstance alpha,beta-aziridine aldehyde Aziridines containing an aldehyde group where the nitrogen atom of the aziridine and the aldehyde group are separated by a carbon atom. chebi.json alpha,beta-aziridinoaldehydes|alpha,beta-aziridine aldehydes http://purl.obolibrary.org/obo/CHEBI_51359 3_STAR CHEBI:131106 biolink:ChemicalSubstance N-[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide LINCS:LSM-42654 chebi.json http://purl.obolibrary.org/obo/CHEBI_131106 2_STAR CHEBI:131107 biolink:ChemicalSubstance 4,4,4-trifluoro-N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]butanamide LINCS:LSM-42655 chebi.json http://purl.obolibrary.org/obo/CHEBI_131107 2_STAR CHEBI:131108 biolink:ChemicalSubstance 1-[(1S)-2-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone LINCS:LSM-42656 chebi.json http://purl.obolibrary.org/obo/CHEBI_131108 2_STAR CHEBI:131109 biolink:ChemicalSubstance N-[(2S,3S)-2-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]-4-pyridinecarboxamide LINCS:LSM-42657 chebi.json http://purl.obolibrary.org/obo/CHEBI_131109 2_STAR CHEBI:106170 biolink:ChemicalSubstance N-[[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-1,3-benzodioxole-5-carboxamide LINCS:LSM-17531 chebi.json http://purl.obolibrary.org/obo/CHEBI_106170 2_STAR CHEBI:106171 biolink:ChemicalSubstance LSM-17532 LINCS:LSM-17532 chebi.json http://purl.obolibrary.org/obo/CHEBI_106171 2_STAR CHEBI:106172 biolink:ChemicalSubstance 1-[[(4R,5S)-8-bromo-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-(2-methoxyphenyl)-1-methylurea LINCS:LSM-17533 chebi.json http://purl.obolibrary.org/obo/CHEBI_106172 2_STAR CHEBI:106173 biolink:ChemicalSubstance (2S,3S)-8-(3-fluorophenyl)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(4-oxanylmethyl)amino]methyl]-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one LINCS:LSM-17534 chebi.json http://purl.obolibrary.org/obo/CHEBI_106173 2_STAR CHEBI:106174 biolink:ChemicalSubstance N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-pent-1-ynyl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-3-methoxy-N-methylbenzenesulfonamide LINCS:LSM-17535 chebi.json http://purl.obolibrary.org/obo/CHEBI_106174 2_STAR CHEBI:106164 biolink:ChemicalSubstance N-[[(2R,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-N-methylcyclohexanecarboxamide LINCS:LSM-17525 chebi.json http://purl.obolibrary.org/obo/CHEBI_106164 2_STAR CHEBI:106165 biolink:ChemicalSubstance 1-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-8-(3-methylbut-1-ynyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-phenylurea LINCS:LSM-17526 chebi.json http://purl.obolibrary.org/obo/CHEBI_106165 2_STAR CHEBI:131100 biolink:ChemicalSubstance (1S,2aS,8bS)-N-(4-fluorophenyl)-1-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-4-carboxamide LINCS:LSM-42648 chebi.json http://purl.obolibrary.org/obo/CHEBI_131100 2_STAR CHEBI:106166 biolink:ChemicalSubstance LSM-17527 LINCS:LSM-17527 chebi.json http://purl.obolibrary.org/obo/CHEBI_106166 2_STAR CHEBI:131101 biolink:ChemicalSubstance 2-[(3S,6aS,8R,10aS)-1-[(2-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(4-phenylphenyl)methyl]acetamide LINCS:LSM-42649 chebi.json http://purl.obolibrary.org/obo/CHEBI_131101 2_STAR CHEBI:106167 biolink:ChemicalSubstance (2S)-2-[(4S,5S)-4-methyl-8-(4-methylphenyl)-5-[[methyl(5-pyrimidinylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol LINCS:LSM-17528 chebi.json http://purl.obolibrary.org/obo/CHEBI_106167 2_STAR CHEBI:106168 biolink:ChemicalSubstance N-[[(4R,5R)-8-(1-cyclopentenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methyl-2-pyrazinecarboxamide LINCS:LSM-17529 chebi.json http://purl.obolibrary.org/obo/CHEBI_106168 2_STAR CHEBI:131102 biolink:ChemicalSubstance (3R,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one LINCS:LSM-42650 chebi.json http://purl.obolibrary.org/obo/CHEBI_131102 2_STAR CHEBI:106169 biolink:ChemicalSubstance LSM-17530 LINCS:LSM-17530 chebi.json http://purl.obolibrary.org/obo/CHEBI_106169 2_STAR CHEBI:131103 biolink:ChemicalSubstance N-[[(2S,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-(cyclopropylmethyl)-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-propan-2-ylacetamide LINCS:LSM-42651 chebi.json http://purl.obolibrary.org/obo/CHEBI_131103 2_STAR CHEBI:131104 biolink:ChemicalSubstance N-[[(3S,9R,10S)-16-(benzenesulfonamido)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylcyclohexanecarboxamide LINCS:LSM-42652 chebi.json http://purl.obolibrary.org/obo/CHEBI_131104 2_STAR CHEBI:131105 biolink:ChemicalSubstance (4-fluorophenyl)-[(8R,9R,10S)-10-(hydroxymethyl)-9-[4-(3-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone LINCS:LSM-42653 chebi.json http://purl.obolibrary.org/obo/CHEBI_131105 2_STAR CHEBI:51352 biolink:ChemicalSubstance benzylpenicillin benzathine A benzathine(2+) salt in which the counter anions are benzylpenicillin(1-). Drug-of-choice when prolonged low concentrations of benzylpenicillin are required and appropriate. PMID:7396623|PMID:9241301|CAS:1538-09-6|Patent:US2627491|PMID:765515|Reaxys:4122035|PMID:23060081|PMID:24468375|Wikipedia:Benzathine_benzylpenicillin chebi.json Cepacilina|Permapen|N,N'-dibenzylethane-1,2-diaminium bis{2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate}|bicillin|Penidural|N,N'-dibenzylethylenediamine bis(benzyl penicillin)|benzatina bencilpenicilina|benzathine benzylpenicilline|Bicillin L-A|penicillin G salt of N,N'-dibenzylethylenediamine|Extencilline|Lentopenil|benzathini benzylpenicillinum|penicillin G benzathine anhydrous|Beacillin|penicillin G benzathine|Tardocillin|benzathine benzylpenicillin|benzylpenicillin dibenzylethylenediamine salt http://purl.obolibrary.org/obo/CHEBI_51352 3_STAR CHEBI:145736 biolink:ChemicalSubstance 9-methylhypoxanthine A methylhypoxanthine that is hypoxanthine with the methyl group at position 9. PMID:19859619|CAS:875-31-0|CAS:875-31-0|PMID:16600471|PMID:27389219|PMID:23744722|PMID:24892295|PMID:12513075 chebi.json 9-methyl-1,9-dihydro-6H-purin-6-one|9-methylhypoxanthine|9-methylpoxanthine http://purl.obolibrary.org/obo/CHEBI_145736 3_STAR CHEBI:145737 biolink:ChemicalSubstance 7-methylhypoxanthine A methylhypoxanthine that is hypoxanthine with the methyl group at position 7. PMID:3098294|CAS:1006-08-2|FooDB:FDB023117|HMDB:HMDB0003162|PMID:12007610|MetaCyc:CPD-19524 chebi.json 7-methyl-hypoxanthine|7-methyl-1,7-dihydro-6H-purin-6-one|7-methylhypoxanthine http://purl.obolibrary.org/obo/CHEBI_145737 3_STAR CHEBI:51353 biolink:ChemicalSubstance N-carbamoyl-L-alpha-amino acid KEGG:C11529 chebi.json N-Carbamoyl-L-2-amino acid|N-carbamoyl-L-2-amino acid (a 2-ureido carboxylate)|N-Carbamoyl-L-amino acid http://purl.obolibrary.org/obo/CHEBI_51353 3_STAR CHEBI:145738 biolink:ChemicalSubstance gamma-octalactone A gamma-lactone that is oxolan-2-one substituted by a butyl group at position 5. It is a volatile compound found in peaches, mangoes, beef and ham. PMID:19154158|Reaxys:111677|PMID:22438014|LIPID_MAPS_instance:LMFA07040016|PMID:21535590|PMID:19390894|HMDB:HMDB0035422|CAS:104-50-7|CAS:104-50-7|PMID:19228057|FooDB:FDB014100|PMID:21823126 chebi.json dihydro-5-butyl-2(3H)-furanone|gamma-butylbutyrolactone|4-butyl-gamma-butyrolactone|5-butyloxolan-2-one|5-butyldihydrofuran-2(3H)-one|5-butyldihydro-2(3H)-furanone|gamma-octanoic lactone|4-octanolide|octan-4-olide|8-oxo-5-octanolide|gamma-n-butyl-gamma-butyrolactone|gamma-butyl-gamma-butyrolactone|gamma-octalactone|octano-1,4-lactone http://purl.obolibrary.org/obo/CHEBI_145738 3_STAR CHEBI:51354 biolink:ChemicalSubstance benzylpenicillin(1-) Beilstein:3915298 chebi.json 2,2-dimethyl-6beta-(phenylacetamido)penam-3alpha-carboxylate|(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|penicillin G http://purl.obolibrary.org/obo/CHEBI_51354 3_STAR CHEBI:51355 biolink:ChemicalSubstance phenoxymethylpenicillin(1-) Beilstein:3916461 chebi.json 2,2-dimethyl-6beta-[(phenoxyacetyl)amino]penam-3alpha-carboxylate http://purl.obolibrary.org/obo/CHEBI_51355 3_STAR CHEBI:145739 biolink:ChemicalSubstance 3-methylhypoxanthine A methylhypoxanthine that is hypoxanthine with the methyl group at position 3. PMID:486504|CAS:1006-11-7 chebi.json 3,7-dihydro-3-methyl-6H-purin-6-one|3-methyl-hypoxanthine|3-methyl-3,7-dihydro-6H-purin-6-one|3-methyl-7H-purin-6(3H)-one http://purl.obolibrary.org/obo/CHEBI_145739 3_STAR CHEBI:51350 biolink:ChemicalSubstance cloxacillin(1-) Beilstein:5406065 chebi.json 2,2-dimethyl-6beta-({[5-methyl-3-(2-chlorophenyl)isoxazol-4-yl]carbonyl}amino)penam-3alpha-carboxylate http://purl.obolibrary.org/obo/CHEBI_51350 3_STAR CHEBI:51351 biolink:ChemicalSubstance cloxacillin benzathine CAS:23736-58-5 chebi.json N,N'-dibenzylethane-1,2-diaminium bis{2,2-dimethyl-6beta-({[5-methyl-3-(2-chlorophenyl)isoxazol-4-yl]carbonyl}amino)penam-3alpha-carboxylate}|benzathine cloxacillin http://purl.obolibrary.org/obo/CHEBI_51351 3_STAR CHEBI:65993 biolink:ChemicalSubstance gypsosaponin B A triterpenoid saponin with gypsogenin as the aglycone species. It is isolated from the roots of Gypsophila oldhamiana and exhibits inhibitory activity against pancreatic lipase. PMID:17409564|Reaxys:11101556 chebi.json 3-O-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]methyl-beta-D-glucuronopyranosyl gypsogenin 28-O-beta-D-glucopyranosyl-(1->3)[beta-D-xylopyranosyl-(1->4)]-alpha-L-rhamnopyranosyl-(1->2)-beta-D-fucopyranoside|beta-D-glucopyranosyl-(1->3)-[beta-D-xylopyranosyl-(1->4)]-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(3beta)-3-{[beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-6-methyl-beta-D-glucopyranuronosyl]oxy}-23,28-dioxoolean-12-en-28-yl]-beta-D-galactopyranose http://purl.obolibrary.org/obo/CHEBI_65993 3_STAR CHEBI:65994 biolink:ChemicalSubstance gypsosaponin C A triterpenoid saponin with gypsogenic acid as the aglycone species. It is isolated from the roots of Gypsophila oldhamiana and exhibits inhibitory activity against pancreatic lipase. Reaxys:11101557|PMID:17409564 chebi.json 23-O-beta-D-glucopyranosyl gypsogenic acid 28-O-beta-D-glucopyranosyl-(1->3)[beta-D-glucopyranosyl-(1->6)]-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_65994 3_STAR CHEBI:65995 biolink:ChemicalSubstance (2E,6Z)-13-hydroxy-1-(2-hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-5,12-dione A meroterpenoid that is hexadeca-2,6,14-triene-5,12-dione substituted by a hydroxy group at position 13, a 2-hydroxy-5-methoxy-3-methylphenyl group at position 1 and methyl groups at positions 3, 7, 11 and 15. Isolated from Halidrys siliquosa, it exhibits antibacterial and antifouling activities. PMID:18529079 chebi.json (2E,6Z)-13-hydroxy-1-(2-hydroxy-5-methoxy-3-methylphenyl)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-5,12-dione|Z-Halidrysone A http://purl.obolibrary.org/obo/CHEBI_65995 3_STAR CHEBI:65996 biolink:ChemicalSubstance halistanol sulfate F An organic sodium salt that is the trisodium salt of halistanol sulfonic acid F. Isolated from the marine sponge Pseudaxinyssa digitata, it exhibits anti-HIV activity. Reaxys:12013883|PMID:8158159 chebi.json http://purl.obolibrary.org/obo/CHEBI_65996 3_STAR CHEBI:65990 biolink:ChemicalSubstance Guttiferone A (rel-(+)) PMID:17960072 chebi.json http://purl.obolibrary.org/obo/CHEBI_65990 2_STAR CHEBI:65991 biolink:ChemicalSubstance guttiferone F A member of the class of benzophenones isolated from the stem bark of Allanblackia stuhlmannii and has been shown to exhibit antileishmanial and anticholinesterase activity. Chemspider:10282668|PMID:9917299|Reaxys:4731414|PMID:17960072|PMID:20681570|PMID:18322848 chebi.json (1R,5R,7R)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1,7-bis(3-methylbut-2-en-1-yl)-5-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]bicyclo[3.3.1]non-3-ene-2,9-dione http://purl.obolibrary.org/obo/CHEBI_65991 3_STAR CHEBI:65992 biolink:ChemicalSubstance gypsosaponin A A triterpenoid saponin with quillaic acid as the aglycone species. It is isolated from the roots of Gypsophila oldhamiana and exhibits inhibitory activity against pancreatic lipase. PMID:17409564|Reaxys:11101555 chebi.json alpha-L-arabinopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->3)-beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-L-mannopyranosyl-(1->2)-6-deoxy-1-O-[(3beta,16alpha)-3-{[beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranuronosyl]oxy}-16-hydroxy-23,28-dioxoolean-12-en-28-yl]-beta-D-galactopyranose|3-O-beta-D-galactopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucuronopyranosyl quillaic acid 28-O-alpha-L-arabinopyranosyl-(1->2)alpha-L-arabinopyranosyl-(1->3)beta-D-xylopyranosyl-(1->4)-alpha-L-rhamnopyranosyl-(1->2)-beta-D-fucopyranoside http://purl.obolibrary.org/obo/CHEBI_65992 3_STAR CHEBI:90957 biolink:ChemicalSubstance sugammadex(8-) A carbohydrate acid derivative anion obtained by global deprotonation of the carboxy groups of sugammadex. chebi.json sugammadex octa-anion|sugammadex octaanion http://purl.obolibrary.org/obo/CHEBI_90957 3_STAR CHEBI:90958 biolink:ChemicalSubstance Stiolto Respimat A two-drug mixture consisting of tiotropium, a long acting muscarinic antagonist and olodaterol, a long-acting beta-agonist; used for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. PMID:26583607|PMID:26683033|CAS:1589477-29-1|PMID:26236136 chebi.json Tiotropium / Olodaterol|Olodaterol / tiotropium|Olodaterol mixture with tiotropium bromide|Stiolto Respimat|Olodaterol / tiotropium bromide http://purl.obolibrary.org/obo/CHEBI_90958 3_STAR CHEBI:90959 biolink:ChemicalSubstance tiotropium bromide An organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane as the counterion. Used (in the form of the hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. Reaxys:11069044|CAS:136310-93-5|PMID:16357953|PMID:26756006|Wikipedia:Tiotropium_bromide|PMID:20508873|PMID:26692823|PMID:19281093|PMID:26604737|PMID:20856827 chebi.json BA 679 BR|BA 679BR|BA-679 BR|(1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane bromide|7-((Hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane bromide|tiotropium bromide http://purl.obolibrary.org/obo/CHEBI_90959 3_STAR CHEBI:65997 biolink:ChemicalSubstance halistanol sulfate G An organic sodium salt that is the trisodium salt of halistanol sulfonic acid G. Isolated from the marine sponge Pseudaxinyssa digitata, it exhibits anti-HIV activity. Reaxys:12013879|PMID:8158159 chebi.json trisodium (2beta,3alpha,5alpha,6alpha)-ergostane-2,3,6-triyl trisulfate http://purl.obolibrary.org/obo/CHEBI_65997 3_STAR CHEBI:90953 biolink:ChemicalSubstance sugammadex An octasaccharide derivative that is gamma-cyclodextrin in which all eight primary hydroxy groups are replaced by 2-(carboxyethyl)sulfanyl groups. Used (as the octasodium salt) for reversal of neuromuscular blockade induced by rocuronium and vecuronium in adults undergoing surgery. PMID:26449072|PMID:26533808|PMID:26673602|PMID:26750414|PMID:26394365|PMID:26684534|PMID:26646837|PMID:26558858|PMID:26508869|PMID:26747019|PMID:26322661|PMID:26437545|PMID:26685122|PMID:26558864|PMID:26564297|PMID:26505986|PMID:26748952|PMID:26437551|Drug_Central:4233|PMID:26351827|PMID:26398716|PMID:26485626|Wikipedia:Sugammadex|CAS:343306-71-8|PMID:26750413|PMID:26271275|PMID:26401735|PMID:26597732|PMID:26472231|PMID:26534102|PMID:26558863|PMID:26409923|PMID:26437552|PMID:26456087|PMID:26418697|PMID:26634077 chebi.json sugammadex http://purl.obolibrary.org/obo/CHEBI_90953 3_STAR CHEBI:90954 biolink:ChemicalSubstance MCB-613 A cyclic ketone that is 4-ethylcyclohexanone which is substituted by pyridin-3-ylmethylene groups at positions 2 and 6. It is a potent small molecule stimulator of steroid receptor coactivators (SRCs). MCB-613 increases SRCs' interactions with other coactivators and markedly induces ER stress coupled to the generation of reactive oxygen species. Since cancer cells overexpress SRCs and rely on them for growth, MCB-613 can be used to selectively induce excessive stress in cancer cells. Reaxys:25955891|PMID:26267537|Patent:WO2008144011 chebi.json MCB613|MCB 613|(2E,6E)-4-ethyl-2,6-bis(3-pyridylmethylene)cyclohexan-1-one|(2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylene)cyclohexanone http://purl.obolibrary.org/obo/CHEBI_90954 3_STAR CHEBI:65998 biolink:ChemicalSubstance halosterol A A 3-oxo steroid that is stigmast-4-en-3-one substituted by a hydroxy group at position 22 (the 22R stereoisomer). Isolated from the whole plants of Haloxylon recurvum, it exhibits chymotrypsin inhibitory activity. Reaxys:10397682|PMID:16651755 chebi.json (22R)-22-hydroxystigmast-4-en-3-one|(22R,24R)-24-ethyl-3-oxo-cholest-4-ene-22-ol http://purl.obolibrary.org/obo/CHEBI_65998 3_STAR CHEBI:90955 biolink:ChemicalSubstance bacteriochlorophyllide d(1-) A cyclic tetrapyrrole anion that is obtained from any bacteriochlorophyllide d via deprotonation of the carboxy group; major species at pH 7.3. MetaCyc:CPD-18866 chebi.json a bacteriochlorophyllide d http://purl.obolibrary.org/obo/CHEBI_90955 3_STAR CHEBI:65999 biolink:ChemicalSubstance halosterol B A 3beta-hydroxy steroid that is (3beta)-stigmasta-4,6-diene-3-ol with an additional hydroxy group at position 22 (the 22R stereoisomer). Isolated from the whole plants of Haloxylon recurvum, it exhibits chymotrypsin inhibitory activity. PMID:16651755|Reaxys:10396293 chebi.json (3beta,22R)-stigmasta-4,6-diene-3,22-diol|(22R,24R)-24-ethyl-cholest-4,6-diene-3beta,22-diol http://purl.obolibrary.org/obo/CHEBI_65999 3_STAR CHEBI:90956 biolink:ChemicalSubstance 2-exo-hydroxy-1,4-cineole A cineole in which the 1,4-cineole skeleton is substituted at C-2 with a hydroxy group oriented exo (S configuration). Reaxys:5241415|PMID:11695850 chebi.json (1R,2S,4S)-1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol|2-exo-hydroxy-1,4-cineole http://purl.obolibrary.org/obo/CHEBI_90956 3_STAR CHEBI:90950 biolink:ChemicalSubstance Orkambi A two-drug mixture consisting of lumacaftor and ivacaftor, which is used for the treatment of cystic fibrosis. PMID:26071414|PMID:26506855|PMID:26581802|PMID:25981758|PMID:26416827|KEGG:D10685|PMID:26510035|PMID:26718821 chebi.json Ivacaftor / lumacaftor|Lumacaftor - ivacaftor mixt|Ivacaftor mixture with lumacaftor|Ivacaftor and lumacaftor|Orkambi|Ivacaftor - lumacaftor http://purl.obolibrary.org/obo/CHEBI_90950 3_STAR CHEBI:90951 biolink:ChemicalSubstance lumacaftor An aromatic amide obtained by formal condensation of the carboxy group of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid with the aromatic amino group of 3-(6-amino-3-methylpyridin-2-yl)benzoic acid. Used for the treatment of cystic fibrosis. PMID:24973281|PMID:26492939|PMID:26071414|Drug_Central:5010|PMID:26506855|PMID:26510034|CAS:936727-05-8|PMID:26417173|PMID:26581802|PMID:25981758|PMID:26416827|PMID:24771136|KEGG:D10134|Wikipedia:Lumacaftor|Reaxys:12892616|PMID:26510035|PMID:26567541|PMID:26718821|CAS:936727-05-8 chebi.json VX-809|lumacaftor|VRT 826809|VRT-826809|3-(6-{[1-(2,2-difluoro-2H-1,3-benzodioxol-5-yl)cyclopropane-1-carbonyl]amino}-3-methylpyridin-2-yl)benzoic acid|VX 809 http://purl.obolibrary.org/obo/CHEBI_90951 3_STAR CHEBI:90952 biolink:ChemicalSubstance sugammadex sodium An organic sodium salt that is the octasodium salt of sugammadex. Used for reversal of neuromuscular blockade induced by rocuronium and vecuronium in adults undergoing surgery. PMID:26449072|PMID:26362958|PMID:26533808|CAS:343306-79-6|PMID:26673602|PMID:26750414|PMID:26394365|PMID:26646837|PMID:26558858|PMID:26685122|PMID:26558864|KEGG:D05940|PMID:26508869|PMID:26747019|PMID:26322661|PMID:26437545|PMID:26505986|PMID:26748952|PMID:26437551|PMID:26351827|CAS:343306-79-6|PMID:26398716|PMID:26485626|Wikipedia:Sugammadex|PMID:26750413|PMID:26271275|PMID:26597732|Reaxys:9115720|PMID:26472231|PMID:26409923|PMID:26558863|PMID:26534102|PMID:26456087|PMID:26437552|PMID:26648135|PMID:26634077 chebi.json Org 25969 http://purl.obolibrary.org/obo/CHEBI_90952 3_STAR CHEBI:90939 biolink:ChemicalSubstance ixazomib citrate A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of 2,2'-{2-[(1R)-1-amino-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diacetic acid. A prodrug for ixazomib that is used in combination therapy for treatment of multiple myeloma. PMID:25325301|PMID:25832873|CAS:1239908-20-3|PMID:24920586|PMID:26275080|Wikipedia:Ixazomib|PMID:24904120|PMID:24292417|Reaxys:27723083|PMID:25613668|PMID:24737138|CAS:1239908-20-3|PMID:24086952|PMID:24285522|PMID:26565697|PMID:25935605|PMID:24486586|KEGG:D10131|PMID:25302026 chebi.json MLN9708|NINLARO|MLN 9708|2,2'-{2-[(1R)-1-{[N-(2,5-dichlorobenzoyl)glycyl]amino}-3-methylbutyl]-5-oxo-1,3,2-dioxaborolane-4,4-diyl}diacetic acid http://purl.obolibrary.org/obo/CHEBI_90939 3_STAR CHEBI:90946 biolink:ChemicalSubstance dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-alpha-D-glucose(1-) A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3. MetaCyc:CPD-13389|PMID:18345667 chebi.json dTDP-4-(methylammonio)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose(1-)|dTDP-N-monodesmethyl-D-forosamine|dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose|5'-O-{[({[(2R,5S,6R)-6-methyl-5-(methylazaniumyl)oxan-2-yl]oxy}phosphinato)oxy]phosphinato}thymidine http://purl.obolibrary.org/obo/CHEBI_90946 3_STAR CHEBI:90947 biolink:ChemicalSubstance dTDP-alpha-D-forosamine(1-) A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-alpha-D-forosamine; major species at pH 7.3. PMID:18345667|MetaCyc:CPD-13384 chebi.json dTDP-alpha-D-forosamine|5'-O-{[({[(2R,5S,6R)-5-(dimethylazaniumyl)-6-methyloxan-2-yl]oxy}phosphinato)oxy]phosphinato}thymidine http://purl.obolibrary.org/obo/CHEBI_90947 3_STAR CHEBI:90948 biolink:ChemicalSubstance osimertinib mesylate A methanesulfonate (mesylate) salt prepared from equimolar amounts of osimertinib and methanesulfonic acid. It is used for treatment of EGFR T790M mutation positive non-small cell lung cancer. PMID:27660466|PMID:26620497|PMID:27641462|PMID:26720671|PMID:27923840|PMID:26515464|PMID:29180936|PMID:26729184|CAS:1421373-66-1|KEGG:D10766|PMID:28710746|PMID:29998228|PMID:30073261|PMID:26720284|Reaxys:23334374 chebi.json osimertinib monomesylate|osimertinib mesilate|N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide methanesulfonate|osimertinib mesylate|osimertinib methanesulfonate|Tagrisso|AZD9291 mesylate http://purl.obolibrary.org/obo/CHEBI_90948 3_STAR CHEBI:90949 biolink:ChemicalSubstance osimertinib(1+) An organic cation obtained by protonation of osimertinib. chebi.json osimertinib cation http://purl.obolibrary.org/obo/CHEBI_90949 3_STAR CHEBI:90942 biolink:ChemicalSubstance ixazomib A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma. PMID:26337806|PMID:26588946|PMID:25377318|PMID:25302026|PMID:25325301|PMID:25832873|PMID:24920586|CAS:1072833-77-2|PMID:26275080|Wikipedia:Ixazomib|PMID:24904120|PMID:24292417|Drug_Central:5067|PMID:25124778|PMID:26141494|PMID:24467634|PMID:25456369|PMID:25777468|KEGG:D10130|PMID:26667773|Reaxys:18302358|PMID:26709701|LINCS:LSM-4944|PMID:25919767|CAS:1072833-77-2|PMID:26634271|PMID:23514361|PMID:24239172 chebi.json MLN 2238|MLN-2238|ixazomib|MLN2238|N-[(1R)-1-borono-3-methylbutyl]-N(2)-(2,5-dichlorobenzoyl)glycinamide http://purl.obolibrary.org/obo/CHEBI_90942 3_STAR CHEBI:90943 biolink:ChemicalSubstance osimertinib A member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. Drug_Central:5062|PMID:26450446|PMID:30151614|PMID:26620497|PMID:26720671|PMID:26515464|PMID:30224350|Reaxys:23334373|PMID:26729184|PMID:29151359|PMID:29782558|CAS:1421373-65-0|PMID:30189719|PMID:29852038|PMID:30126856|DrugBank:DB09330|PMID:26720284|PMID:30194172|PMID:30153097|LINCS:LSM-6344|Wikipedia:Osimertinib chebi.json AZD9291|AZD 9291|osimertinibum|AZD-9291|mereletinib|N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)acrylamide|N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide|osimertinib http://purl.obolibrary.org/obo/CHEBI_90943 3_STAR CHEBI:90944 biolink:ChemicalSubstance dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose(2-) A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose; major species at pH 7.3. MetaCyc:CPD-13382|PMID:18345667 chebi.json 5'-O-{[({[(2R,6R)-6-methyl-5-oxooxan-2-yl]oxy}phosphinato)oxy]phosphinato}thymidine|dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-hexopyranose|dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucopyranose(2-) http://purl.obolibrary.org/obo/CHEBI_90944 3_STAR CHEBI:90945 biolink:ChemicalSubstance dTDP-4-ammonio-2,3,4,6-tetradeoxy-alpha-D-glucose(1-) A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-amino-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3. MetaCyc:CPD-13383 chebi.json dTDP-4-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose|dTDP-4-ammonio-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose(1-)|5'-O-{[({[(2R,5S,6R)-5-azaniumyl-6-methyloxan-2-yl]oxy}phosphinato)oxy]phosphinato}thymidine http://purl.obolibrary.org/obo/CHEBI_90945 3_STAR CHEBI:90940 biolink:ChemicalSubstance N-acetyl-L-phosphinothricin(2-) An N-acetylphosphinatothricinate(2-) obtained by deprotonation of carboxylic acid and phosphinate functions of N-acetyl-L-phosphinothricin; major species at pH 7.3. MetaCyc:CPD-9999|PMID:21950770 chebi.json N-acetyl-L-phosphinothricin|(2S)-2-acetamido-4-(methylphosphinato)butanoate http://purl.obolibrary.org/obo/CHEBI_90940 3_STAR CHEBI:90941 biolink:ChemicalSubstance sibiromycin An aminoglycoside antibiotic produced by Streptosporangium sibiricum that also exhibits antitumour properties. PMID:1119795|CAS:12684-33-2|KNApSAcK:C00018852|PMID:21111423|PMID:20544978|Reaxys:14751112|CAS:12684-33-2|PMID:582800|PMID:18983|PMID:25564379|PMID:25111266|PMID:25960001|MetaCyc:CPD-18442|PMID:21612226|PMID:6376603|PMID:6987949|PMID:358909|PMID:581439 chebi.json Sybiromycin|(11R,11aS)-9,11-dihydroxy-8-methyl-5-oxo-2-[(1E)-prop-1-en-1-yl]-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-][1,4]benzodiazepin-7-yl 4,6-dideoxy-3-C-methyl-4-(methylamino)-alpha-L-mannopyranoside http://purl.obolibrary.org/obo/CHEBI_90941 3_STAR CHEBI:99305 biolink:ChemicalSubstance 2-[(2S,3S,6S)-3-(benzenesulfonamido)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(3,4-dichlorophenyl)methyl]acetamide LINCS:LSM-10684 chebi.json http://purl.obolibrary.org/obo/CHEBI_99305 2_STAR CHEBI:99306 biolink:ChemicalSubstance LSM-10685 LINCS:LSM-10685 chebi.json http://purl.obolibrary.org/obo/CHEBI_99306 2_STAR CHEBI:99307 biolink:ChemicalSubstance 2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2-methoxyphenyl)methyl]acetamide LINCS:LSM-10686 chebi.json http://purl.obolibrary.org/obo/CHEBI_99307 2_STAR CHEBI:99308 biolink:ChemicalSubstance LSM-10687 LINCS:LSM-10687 chebi.json http://purl.obolibrary.org/obo/CHEBI_99308 2_STAR CHEBI:99309 biolink:ChemicalSubstance 4-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]benzonitrile LINCS:LSM-10688 chebi.json http://purl.obolibrary.org/obo/CHEBI_99309 2_STAR CHEBI:170700 biolink:ChemicalSubstance PS(20:2(11Z,14Z)/18:2(9Z,12Z)) Chemspider:74876018|LIPID_MAPS_instance:LMGP03010571|HMDB:HMDB0112575 chebi.json (2S)-2-amino-3-[hydroxy-[(2R)-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170700 2_STAR CHEBI:170701 biolink:ChemicalSubstance TG(18:1(11Z)/16:0/18:3(6Z,9Z,12Z)) HMDB:HMDB0049121|Chemspider:59658199 chebi.json [(2S)-2-hexadecanoyloxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170701 2_STAR CHEBI:170702 biolink:ChemicalSubstance PS(20:1(11Z)/18:3(9Z,12Z,15Z)) HMDB:HMDB0112550|LIPID_MAPS_instance:LMGP03010543|Chemspider:74875993 chebi.json (2S)-2-amino-3-[hydroxy-[(2R)-3-[(Z)-icos-11-enoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]phosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170702 2_STAR CHEBI:170703 biolink:ChemicalSubstance TG(18:1(11Z)/14:0/20:3n6) HMDB:HMDB0049081|Chemspider:59658163 chebi.json [(2S)-3-[(Z)-octadec-11-enoyl]oxy-2-tetradecanoyloxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170703 2_STAR CHEBI:170704 biolink:ChemicalSubstance PS(20:1(11Z)/18:3(6Z,9Z,12Z)) HMDB:HMDB0112549|LIPID_MAPS_instance:LMGP03010542|Chemspider:74875992 chebi.json (2S)-2-amino-3-[hydroxy-[(2R)-3-[(Z)-icos-11-enoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropoxy]phosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170704 2_STAR CHEBI:170705 biolink:ChemicalSubstance TG(18:1(11Z)/14:0/20:3(5Z,8Z,11Z)) Chemspider:59658158|HMDB:HMDB0049075 chebi.json [(2S)-3-[(Z)-octadec-11-enoyl]oxy-2-tetradecanoyloxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170705 2_STAR CHEBI:170706 biolink:ChemicalSubstance PS(20:0/18:4(6Z,9Z,12Z,15Z)) HMDB:HMDB0112522|LIPID_MAPS_instance:LMGP03010949|Chemspider:74875965 chebi.json (2S)-2-amino-3-[hydroxy-[(2R)-3-icosanoyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]phosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170706 2_STAR CHEBI:170707 biolink:ChemicalSubstance TG(18:1(9Z)/14:1(9Z)/20:2n6) HMDB:HMDB0049848|Chemspider:59659836 chebi.json [(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170707 2_STAR CHEBI:170708 biolink:ChemicalSubstance PS(18:4(6Z,9Z,12Z,15Z)/20:0) HMDB:HMDB0112497|LIPID_MAPS_instance:LMGP03010444|Chemspider:74875940 chebi.json (2S)-2-amino-3-[hydroxy-[(2R)-2-icosanoyloxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]phosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170708 2_STAR CHEBI:170709 biolink:ChemicalSubstance TG(18:1(9Z)/16:0/18:3(6Z,9Z,12Z)) HMDB:HMDB0049747|Chemspider:59658787 chebi.json [(2S)-2-hexadecanoyloxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170709 2_STAR CHEBI:90979 biolink:ChemicalSubstance 5,20-DiHETE A DiHETE that is 5-HETE carrying an additional hydroxy substituent at position 20. Reaxys:24406270|PMID:9675028|PMID:15364545 chebi.json 5,20-dihydroxy-6E,8Z,11Z,14Z-icosatetraenoic acid|(6E,8Z,11Z,14Z)-5,20-dihydroxyicosa-6,8,11,14-tetraenoic acid|(6E,8Z,11Z,14Z)-5,20-dihydroxyicosatetraenoic acid|20-Hydroxy-5-HETE http://purl.obolibrary.org/obo/CHEBI_90979 3_STAR CHEBI:90975 biolink:ChemicalSubstance O(4)-(N-acetyl-alpha-D-galactosaminyl)-trans-4-hydroxy-L-proline residue An L-alpha-amino acid residue derived from O(4)-(N-acetyl-alpha-D-galactosaminyl)-trans-4-hydroxy-L-proline. MetaCyc:CPD-6242 chebi.json O(4)-(N-acetyl-alpha-D-galactosamine)-trans-4-hydroxy-L-proline residue http://purl.obolibrary.org/obo/CHEBI_90975 3_STAR CHEBI:90976 biolink:ChemicalSubstance 20-hydroxylipoxin A4 A member of the class of lipoxins that is lipoxin A4 carrying an additional hydroxy substituent at position 20. Reaxys:24406268|PMID:9675028|PMID:15364545 chebi.json ((5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate)-5,6,15,20-tetrahydroxyicosa-7,9,11,13-tetraenoic acid http://purl.obolibrary.org/obo/CHEBI_90976 3_STAR CHEBI:90977 biolink:ChemicalSubstance LOSGM1 A lipooligosaccharide, prepared from Campylobacter jejuni (strain HS:19). It binds with cholera toxin B. PMID:26405107 chebi.json 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->3)-D-glycero-alpha-D-manno-heptopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-7-O-phosphono-L-glycero-alpha-D-manno-heptopyranosyl-(1->5)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-[(3R)-3-(hexadecanoyloxy)tetradecanoyl]-4-O-phosphono-2-{[(3R)-3-(tetradecanoyloxy)tetradecanoyl]amino}-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose|LOS(GM1)|GM1-like lipooligosaccharide|lipooligosaccharide(GM1) http://purl.obolibrary.org/obo/CHEBI_90977 3_STAR CHEBI:90978 biolink:ChemicalSubstance 20-hydroxylipoxin B4 A member of the class of lipoxins that is lipoxin B4 carrying an additional hydroxy substituent at position 20. Reaxys:24406266|PMID:9675028|PMID:8389204|CAS:148942-81-8|PMID:15364545 chebi.json (5S,6E,8Z,10E,12E,14R,15S)-5,14,15,20-tetrahydroxyicosa-6,8,10,12-tetraenoic acid http://purl.obolibrary.org/obo/CHEBI_90978 3_STAR CHEBI:90971 biolink:ChemicalSubstance lipid A-F A lipid A derivative, prepared from Campylobacter jejuni HS:19, in which each of its two glucosaminyl units is substituted on nitrogen by a 3-(2-hydroxytetracosanoyloxy)octadecanoyl unit. PMID:26405107 chebi.json 2-deoxy-6-O-[2-deoxy-2-{[(3R)-3-(2-hydroxytetracosanoyloxy)octadecanoyl]amino}-4-O-phosphono-beta-D-glucosyl]-2-{[(3R)-3-(2-hydroxytetracosanoyloxy)octadecanoyl]amino}-1-O-phosphono-alpha-D-glucose|2-deoxy-6-O-[2-deoxy-2-({(3R)-3-[(2-hydroxytetracosanoyl)oxy]octadecanoyl}amino)-4-O-phosphono-beta-D-glucopyranosyl]-2-({(3R)-3-[(2-hydroxytetracosanoyl)oxy]octadecanoyl}amino)-1-O-phosphono-alpha-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_90971 3_STAR CHEBI:90972 biolink:ChemicalSubstance glycopyrronium bromide A quaternary ammonium salt composed of 3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium and bromide ions in a 1:1 ratio. Reaxys:3642926|CAS:596-51-0 chebi.json bromure de glycopyrronium|3-Hydroxy-1,1-dimethylpyrrolidinium bromide alpha-cyclopentylmandelate|3-{[cyclopentyl(hydroxy)phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium bromide|1-Methyl-3-pyrrolidyl alpha-phenylcyclopentaneglycolate methobromide|glycopyrronii bromidum|glycopyrronium bromide|bromuro de glicopirronio|1,1-Dimethyl-3-hydroxypyrrolidinium bromide alpha-cyclopentylmandelate http://purl.obolibrary.org/obo/CHEBI_90972 3_STAR CHEBI:90973 biolink:ChemicalSubstance (2S,3R)-glycopyrronium bromide A glycopyrronium bromide that has (2S,3R)-configuration. The racemate, ritropirronium bromide, is used for treatment of chronic obstructive pulmonary disease. Reaxys:9826105|PMID:22257577 chebi.json (3R)-3-{[(2S)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium bromide http://purl.obolibrary.org/obo/CHEBI_90973 3_STAR CHEBI:99300 biolink:ChemicalSubstance (3R)-2-[(R)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide LINCS:LSM-10679 chebi.json http://purl.obolibrary.org/obo/CHEBI_99300 2_STAR CHEBI:90974 biolink:ChemicalSubstance (2R,3S)-glycopyrronium bromide A glycopyrronium bromide that has (2R,3S)-configuration. The racemate, ritropirronium bromide, is used for treatment of chronic obstructive pulmonary disease. Reaxys:9826108|PMID:22257577 chebi.json (3S)-3-{[(2R)-2-cyclopentyl-2-hydroxy-2-phenylacetyl]oxy}-1,1-dimethylpyrrolidin-1-ium bromide http://purl.obolibrary.org/obo/CHEBI_90974 3_STAR CHEBI:99301 biolink:ChemicalSubstance 2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-propylacetamide LINCS:LSM-10680 chebi.json http://purl.obolibrary.org/obo/CHEBI_99301 2_STAR CHEBI:99302 biolink:ChemicalSubstance N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(2-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-4-oxanecarboxamide LINCS:LSM-10681 chebi.json http://purl.obolibrary.org/obo/CHEBI_99302 2_STAR CHEBI:99303 biolink:ChemicalSubstance LSM-10682 LINCS:LSM-10682 chebi.json http://purl.obolibrary.org/obo/CHEBI_99303 2_STAR CHEBI:90970 biolink:ChemicalSubstance 1alpha,23(S),25-trihydroxyvitamin D3 A hydroxycalciol that consists of vitamin D3 (calciol) bearing additional hydroxy substituents at positions 1, 23 and 25 (with 1alpha,23S-configuration). An intermediate in the degradation pathway of 1alpha,25-(OH)2D3. PMID:6688522|PMID:6548386|PMID:17646648|PMID:16617161|PMID:6323135|CAS:86701-33-9|Reaxys:8813277 chebi.json (1S,3R,5Z,7E,23S)-9,10-secocholesta-5,7,10-triene-1,3,23,25-tetrol|1,23,25-Trihydroxycholecalciferol|1alpha,23S,25-trihydroxy vitamin D3|1,23,25-Trihydroxyvitamin D3|1alpha,23S,25-trihydroxycholecalciferol|1alpha,23S,25-(OH)3D3 http://purl.obolibrary.org/obo/CHEBI_90970 3_STAR CHEBI:99304 biolink:ChemicalSubstance 3-[4-[(2R,3R,4S)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide LINCS:LSM-10683 chebi.json http://purl.obolibrary.org/obo/CHEBI_99304 2_STAR CHEBI:170710 biolink:ChemicalSubstance PS(18:3(9Z,12Z,15Z)/20:1(11Z)) Chemspider:74875915|LIPID_MAPS_instance:LMGP03010414|HMDB:HMDB0112472 chebi.json (2S)-2-amino-3-[hydroxy-[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropoxy]phosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170710 2_STAR CHEBI:170711 biolink:ChemicalSubstance TG(18:1(9Z)/14:0/20:3n6) HMDB:HMDB0049709|Chemspider:59658752 chebi.json [(2S)-3-[(Z)-octadec-9-enoyl]oxy-2-tetradecanoyloxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170711 2_STAR CHEBI:170712 biolink:ChemicalSubstance PS(18:3(6Z,9Z,12Z)/20:1(11Z)) LIPID_MAPS_instance:LMGP03010386|HMDB:HMDB0112455|Chemspider:74875898 chebi.json (2S)-2-amino-3-[hydroxy-[(2R)-2-[(Z)-icos-11-enoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropoxy]phosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170712 2_STAR CHEBI:170713 biolink:ChemicalSubstance PS(18:2(9Z,12Z)/20:2(11Z,14Z)) HMDB:HMDB0112431|Chemspider:74875874|LIPID_MAPS_instance:LMGP03010358 chebi.json (2S)-2-amino-3-[hydroxy-[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170713 2_STAR CHEBI:170714 biolink:ChemicalSubstance TG(18:1(9Z)/14:0/20:3(5Z,8Z,11Z)) HMDB:HMDB0049703|Chemspider:59658747 chebi.json [(2S)-3-[(Z)-octadec-9-enoyl]oxy-2-tetradecanoyloxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170714 2_STAR CHEBI:170715 biolink:ChemicalSubstance PS(16:0/22:4(7Z,10Z,13Z,16Z)) Chemspider:74875796|HMDB:HMDB0112352|LIPID_MAPS_instance:LMGP03010965 chebi.json (2S)-2-amino-3-[[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170715 2_STAR CHEBI:170716 biolink:ChemicalSubstance TG(18:1(11Z)/14:1(9Z)/20:2n6) Chemspider:59658296|HMDB:HMDB0049227 chebi.json [(2S)-3-[(Z)-octadec-11-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170716 2_STAR CHEBI:170717 biolink:ChemicalSubstance TG(16:1(9Z)/18:1(11Z)/18:2(9Z,12Z)) Chemspider:59657733|HMDB:HMDB0048618 chebi.json [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170717 2_STAR CHEBI:170718 biolink:ChemicalSubstance PC(P-18:1(9Z)/P-18:1(9Z)) HMDB:HMDB0011334|Chemspider:24767609 chebi.json [(2R)-2,3-bis[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170718 2_STAR CHEBI:170719 biolink:ChemicalSubstance TG(16:1(9Z)/16:1(9Z)/20:2n6) HMDB:HMDB0048598|Chemspider:59657715 chebi.json [(2R)-2,3-bis[[(Z)-hexadec-9-enoyl]oxy]propyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170719 2_STAR CHEBI:90968 biolink:ChemicalSubstance 3-vinyl-bacteriochlorophyllide d(1-) A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy group of any 3-vinyl-bacteriochlorophyllide d; major species at pH 7.3. MetaCyc:3-vinyl-bacteriochlorophyllide-d|PMID:26331578 chebi.json a 3-vinylbacteriochlorophyllide d http://purl.obolibrary.org/obo/CHEBI_90968 3_STAR CHEBI:90969 biolink:ChemicalSubstance 7-hydroxybacteriochlorophyllide c(1-) A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy group of any 7-hydroxybacteriochlorophyllide c; major species at pH 7.3. MetaCyc:7-hydroxy-bacteriochlorophyllide-c|PMID:23560066 chebi.json a 7(1)-hydroxybacteriochlorophyllide c http://purl.obolibrary.org/obo/CHEBI_90969 3_STAR CHEBI:90964 biolink:ChemicalSubstance 8,12-diethyl-3-vinylbacteriochlorophyllide d(1-) A cyclic tetrapyrrole anion that is the conjugate base of 8,12-diethyl-3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:17586634|MetaCyc:CPD-18842 chebi.json 8,12-diethyl-3-vinylbacteriochlorophyllide d|{3-[(3S,4S)-9-ethenyl-14,18-diethyl-4,8,13-trimethyl-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(3-)}magnesate(1-) http://purl.obolibrary.org/obo/CHEBI_90964 3_STAR CHEBI:90965 biolink:ChemicalSubstance bacteriochlorophyllide c(1-) A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy group of any bacteriochlorophyllide c; major species at pH 7.3. MetaCyc:CPD-18867|PMID:15090495 chebi.json a bacteriochlorophyllide c http://purl.obolibrary.org/obo/CHEBI_90965 3_STAR CHEBI:90966 biolink:ChemicalSubstance 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d(1-) A cyclic tetrapyrrole anion that is the conjugate base of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:17586634|MetaCyc:CPD-18843 chebi.json {3-[(3S,4S)-9-ethenyl-18-ethyl-4,8,13-trimethyl-20-oxo-14-propylphorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(3-)}magnesate(1-)|12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d http://purl.obolibrary.org/obo/CHEBI_90966 3_STAR CHEBI:90967 biolink:ChemicalSubstance 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d(1-) A cyclic tetrapyrrole anion that is the conjugate base of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:17586634|MetaCyc:CPD-18844 chebi.json 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d|{3-[(3S,4S)-9-ethenyl-18-ethyl-4,8,13-trimethyl-14-(2-methylpropyl)-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(3-)}magnesate(1-) http://purl.obolibrary.org/obo/CHEBI_90967 3_STAR CHEBI:90960 biolink:ChemicalSubstance tiotropium A quaternary ammonium ion obtained by methylation of the tertiary amino group of (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. Used (in the form of the bromide hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. PMID:19281093|PMID:26604737|Reaxys:9806715|PMID:20856827|PMID:16357953|CAS:186691-13-4|PMID:20508873 chebi.json (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane|BA 679 BR|BA-679 BR|7-((hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane http://purl.obolibrary.org/obo/CHEBI_90960 3_STAR CHEBI:90961 biolink:ChemicalSubstance ERK dimerisation inhibitor An inhibitor that interferes with the dimerisation of extracellular signal-regulated kinase (ERK). chebi.json extracellular signal-regulated kinase dimerisation inhibitor|extracellular signal-regulated kinase dimerisation inhibitors|ERK dimerisation inhibitors http://purl.obolibrary.org/obo/CHEBI_90961 3_STAR CHEBI:90962 biolink:ChemicalSubstance Utibron Neohaler A two-drug mixture consisting of glycopyrronium bromide, a muscarinic antagonist and indacaterol, a beta-2 receptor agonist; used for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease. CAS:1262431-94-6|KEGG:D10505|PMID:25691493|PMID:23914352 chebi.json Glycopyrronium bromide - indacaterol maleate mixt|Ultibro|Indacaterol / glycopyrrolate|QVA149|Glycopyrrolate / indacaterol|Glycopyrrolate mixture with indacaterol|Glycopyrronium bromide / indacaterol|Utibron Neohaler|QVA 149|Indacaterol / glycopyrronium http://purl.obolibrary.org/obo/CHEBI_90962 3_STAR CHEBI:90963 biolink:ChemicalSubstance 3-vinylbacteriochlorophyllide d(1-) A cyclic tetrapyrrole anion that is the conjugate base of 3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3. MetaCyc:CPD-18841|PMID:17586634 chebi.json {3-[(3S,4S)-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(3-)}magnesate(1-)|8-ethyl-12-methyl-3-vinylbacteriochlorophyllide d http://purl.obolibrary.org/obo/CHEBI_90963 3_STAR CHEBI:99327 biolink:ChemicalSubstance 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide LINCS:LSM-10706 chebi.json http://purl.obolibrary.org/obo/CHEBI_99327 2_STAR CHEBI:99328 biolink:ChemicalSubstance 2-cyclopropyl-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]acetamide LINCS:LSM-10707 chebi.json http://purl.obolibrary.org/obo/CHEBI_99328 2_STAR CHEBI:99329 biolink:ChemicalSubstance N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide LINCS:LSM-10708 chebi.json http://purl.obolibrary.org/obo/CHEBI_99329 2_STAR CHEBI:170720 biolink:ChemicalSubstance PC(P-18:1(9Z)/P-18:1(11Z)) Chemspider:24767608|HMDB:HMDB0011333 chebi.json [(2R)-3-[(1Z,9Z)-octadeca-1,9-dienoxy]-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170720 2_STAR CHEBI:170721 biolink:ChemicalSubstance PC(P-18:1(11Z)/P-18:1(9Z)) Chemspider:24767576|HMDB:HMDB0011301 chebi.json [(2R)-2-[(1Z,9Z)-octadeca-1,9-dienoxy]-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170721 2_STAR CHEBI:170722 biolink:ChemicalSubstance TG(16:1(9Z)/14:1(9Z)/22:2(13Z,16Z)) HMDB:HMDB0048579|Chemspider:59657700 chebi.json [(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170722 2_STAR CHEBI:170723 biolink:ChemicalSubstance TG(16:1(9Z)/18:0/18:3(9Z,12Z,15Z)) LIPID_MAPS_instance:LMGL03010146|Chemspider:7823061 chebi.json [(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170723 2_STAR CHEBI:170724 biolink:ChemicalSubstance PC(P-18:1(11Z)/P-18:1(11Z)) HMDB:HMDB0011300|Chemspider:74854278 chebi.json [(2R)-2,3-bis[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170724 2_STAR CHEBI:170725 biolink:ChemicalSubstance PE-NMe2(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) Chemspider:74850747|HMDB:HMDB0113959 chebi.json [1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate http://purl.obolibrary.org/obo/CHEBI_170725 2_STAR CHEBI:170726 biolink:ChemicalSubstance TG(16:1(9Z)/18:0/18:3(6Z,9Z,12Z)) Chemspider:75320493|LIPID_MAPS_instance:LMGL03015814 chebi.json [(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170726 2_STAR CHEBI:170727 biolink:ChemicalSubstance TG(16:1(9Z)/20:2n6/16:1(9Z)) Chemspider:59693747|HMDB:HMDB0048787 chebi.json 1,3-bis[[(Z)-hexadec-9-enoyl]oxy]propan-2-yl (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170727 2_STAR CHEBI:170728 biolink:ChemicalSubstance PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) HMDB:HMDB0009653|Chemspider:24769097 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170728 2_STAR CHEBI:170729 biolink:ChemicalSubstance TG(16:1(9Z)/18:2(9Z,12Z)/18:1(9Z)) Chemspider:59657848|HMDB:HMDB0048745 chebi.json [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170729 2_STAR CHEBI:131197 biolink:ChemicalSubstance 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dioxolane A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by a 2-(2-methoxyethoxy)ethoxy group. Reaxys:4963974 chebi.json 2-[2-(2-methoxyethoxy)ethoxy]-1,3-dioxolane http://purl.obolibrary.org/obo/CHEBI_131197 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). Reaxys:1918635|CAS:65144-74-3|CAS:65144-74-3 chebi.json (Z)-ethene-1,2-diol|cis-1,2-Ethenediol http://purl.obolibrary.org/obo/CHEBI_131198 3_STAR CHEBI:131199 biolink:ChemicalSubstance 2-ethylacetoacetic acid A 3-oxo monocarboxylic acid that is butyric acid substituted at positions 2 and 3 by ethyl and oxo groups respectively. Reaxys:1756880|CAS:4433-85-6 chebi.json 2-acetylbutyric acid|2-acetylbutanoic acid|2-ethyl-3-oxobutanoic acid http://purl.obolibrary.org/obo/CHEBI_131199 3_STAR CHEBI:90997 biolink:ChemicalSubstance alvocidib(1+) An ammonium ion resulting from the protonation of the amino group of alvocidib. chebi.json (3S,4R)-4-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3-hydroxy-1-methylpiperidinium http://purl.obolibrary.org/obo/CHEBI_90997 3_STAR CHEBI:90998 biolink:ChemicalSubstance alvocidib hydrochloride A hydrochloride salt resulting from the formal reaction of equimolar amounts of alvocidib and hydrogen chloride. A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation. PMID:1279187|DrugBank:DB03496|PMID:21556497|PMID:9269999|PMID:8002990|PMID:9815683|PMID:21541623|KEGG:D02880|PMID:8250970|CAS:131740-09-5 chebi.json HL 275|HL-275|L 86 8275|alvocidib HCl|(3S,4R)-4-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3-hydroxy-1-methylpiperidinium chloride|L86-8275|HMR 1275|HMR-1275|2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one hydrochloride http://purl.obolibrary.org/obo/CHEBI_90998 3_STAR CHEBI:90999 biolink:ChemicalSubstance sodium 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonate An organic sodium salt having 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonate as the counterion. PMID:2401863|PMID:14698205|CAS:130593-74-7|PMID:8423031|PMID:1939009|Reaxys:5375380 chebi.json sodium (3alpha,5beta,7alpha)-3,7-dihydroxycholane-24-sulfonate|sodium 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonate|sodium 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonate|CDC-SUL http://purl.obolibrary.org/obo/CHEBI_90999 3_STAR CHEBI:90993 biolink:ChemicalSubstance MgADP(1-) An organophosphate oxoanion that is MgADP which has lost the proton attached to the diphosphate moiety. chebi.json magnesium 5'-O-[(phosphonatooxy)phosphinato]adenosine http://purl.obolibrary.org/obo/CHEBI_90993 3_STAR CHEBI:131190 biolink:ChemicalSubstance androsta-1,4,6-triene-3,17-dione An androstanoid that is androsta-1,4,6-triene substituted by oxo groups at positions 3 and 17. PMID:7600674|PMID:7300351|PMID:3397055|PMID:6896890|PMID:22120997|PMID:26632865|PMID:7050537|PMID:3803480|PMID:7472286|PMID:6810900|PMID:3557327|PMID:3199056|PMID:7210060|Wikipedia:1,4,6-Androstatriene-3,17-dione|PMID:2950196|CAS:633-35-2|Reaxys:3121300|PMID:17303200|PMID:7413827|PMID:3193049|PMID:22315450|PMID:3562648 chebi.json 1,4,6-Etioallochan-dione|androsta-1,4,6-triene-3,17-dione|1,4,6-Androstatriene-3,17-dione http://purl.obolibrary.org/obo/CHEBI_131190 3_STAR CHEBI:90994 biolink:ChemicalSubstance 3,3'-diaminobenzidine A member of the class of biphenyls that is benzidine in which one of the hydrogens ortho to each of the amino groups has been replaced by an amino group. Wikipedia:3,3'-Diaminobenzidine|PMID:2322454|PMID:15721816|PMID:18248855|PMID:23531405|PMID:10810977|PMID:14533850|PMID:1726150|PMID:17676804|PMID:220157|Reaxys:1212988|CAS:91-95-2|CAS:91-95-2|PMID:3985946 chebi.json biphenyl-3,3',4,4'-tetramine|3,3',4,4'-diphenyltetramine|3,3',4,4'-biphenyltetramine|3,3'-diaminobenzidine|(1,1'-biphenyl)-3,3',4,4'-tetramine|3,3',4,4'-tetraaminobiphenyl|DAB|3,3',4,4'-tetraaminodiphenyl|3,3',4,4'-tetraminobiphenyl|3,3'-diaminobenzidene|biphenyl-3,3',4,4'-tetrayltetraamine http://purl.obolibrary.org/obo/CHEBI_90994 3_STAR CHEBI:99320 biolink:ChemicalSubstance 1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(methoxymethyl)-1-triazolyl]ethyl]-3-oxanyl]-3-[4-(trifluoromethyl)phenyl]urea LINCS:LSM-10699 chebi.json http://purl.obolibrary.org/obo/CHEBI_99320 2_STAR CHEBI:90995 biolink:ChemicalSubstance 12(S)-HETrE A HETrE that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroxy group is located at the 12(S)-posiiton. PMID:22984144|PMID:7852839 chebi.json 12S-HETrE|(12S)-hydroxy-(8Z,10E,14Z)-eicosatrienoic acid|(8Z,10E,12S,14Z)-12-hydroxyicosa-8,10,14-trienoic acid|(12S)-hydroxy-(8Z,10E,14Z)-icosatrienoic acid http://purl.obolibrary.org/obo/CHEBI_90995 3_STAR CHEBI:131191 biolink:ChemicalSubstance glass wool A mixture of intertwined and flexible glass fibres and a binder that sticks the fibres together to give a wool-like texture. Produced in rolls or slabs, it is used for thermal and acoustic insulation. Wikipedia:Glass_wool chebi.json http://purl.obolibrary.org/obo/CHEBI_131191 3_STAR CHEBI:99321 biolink:ChemicalSubstance N-[(2S,3R,6S)-6-[2-[[(3,5-dichlorophenyl)-oxomethyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-4-oxanecarboxamide LINCS:LSM-10700 chebi.json http://purl.obolibrary.org/obo/CHEBI_99321 2_STAR CHEBI:90996 biolink:ChemicalSubstance 12(S)-HpEPE A 12-HPEPE in which the hydroperoxy group at positions 12 has S-configuration. LIPID_MAPS_instance:LMFA03070012|PMID:3012585|PMID:22984144 chebi.json 12S-HpEPE|12S-hydroperoxy-5Z,8Z,10E,14Z,17Z-eicosapentaenoic acid|(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-eicosapentaenoic acid|(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosapentaenoic acid|(12S)-hydroperoxy-(5Z,8Z,10E,14Z-17Z)-icosapentaenoic acid|(5Z,8Z,10E,12S,14Z-17Z)-12-hydroperoxyicosa-5,8,10,14,17-pentaenoic acid http://purl.obolibrary.org/obo/CHEBI_90996 3_STAR CHEBI:131192 biolink:ChemicalSubstance 2-isothiocyanatoethyl phosphate A monoalkyl phosphate that is ethyl phosphate in which one of the methyl hydrogens has been replaced by an isothiocyanato group. chebi.json 2-isothiocyanatoethyl dihydrogen phosphate http://purl.obolibrary.org/obo/CHEBI_131192 3_STAR CHEBI:99322 biolink:ChemicalSubstance 1-[(5R,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-(3-fluorophenyl)urea LINCS:LSM-10701 chebi.json http://purl.obolibrary.org/obo/CHEBI_99322 2_STAR CHEBI:131193 biolink:ChemicalSubstance 2-(4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl)-1,3-dioxolane A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by a 4-bromo-6,6,6-trichloro-2-methyl-2-hexanyl group. chebi.json 2-(4-bromo-6,6,6-trichloro-2-methylhexan-2-yl)-1,3-dioxolane http://purl.obolibrary.org/obo/CHEBI_131193 3_STAR CHEBI:99323 biolink:ChemicalSubstance (2S,3S,4R)-3-[4-(2-cyclohexylethynyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile LINCS:LSM-10702 chebi.json http://purl.obolibrary.org/obo/CHEBI_99323 2_STAR CHEBI:90990 biolink:ChemicalSubstance 12,20-DiHETE A DiHETE that is 12-HETE carrying an additional hydroxy substituent at position 20. PMID:2514663|PMID:15364545|PMID:8652640|PMID:9675028|HMDB:HMDB0060105|Reaxys:24406269 chebi.json (5Z,8Z,10E,14Z)-12,20-dihydroxyicosatetraenoic acid|(5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoic acid|12,20-dihydroxy-(5Z,8Z,10E,14Z)-icosatetraenoic acid http://purl.obolibrary.org/obo/CHEBI_90990 3_STAR CHEBI:131194 biolink:ChemicalSubstance 3,3',5,5'-tetraiodothyroacetic acid A monocarboxylic acid that is thyroacetic acid carrying four iodo substituents at positions 3, 3', 5 and 5'. LINCS:LSM-25628|CAS:67-30-1|MetaCyc:CPD-11403|PMID:24214887|PMID:25628605|DrugBank:DB01751|PMID:26384643|PMID:26041883|Reaxys:2173215|PMID:26756636|PMID:23103412|PDBeChem:T4A|PMID:25258542|PMID:25866761|PMID:26307023 chebi.json Tetraiodothyroacetic acid|Tetrac|Acide 3,5,3',5'-tetraiodothyroacetique|3,5-Diiodo-4-(4-hydroxy-3,5-diiodophenoxy)benzeneacetic acid http://purl.obolibrary.org/obo/CHEBI_131194 3_STAR CHEBI:99324 biolink:ChemicalSubstance N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide LINCS:LSM-10703 chebi.json http://purl.obolibrary.org/obo/CHEBI_99324 2_STAR CHEBI:131195 biolink:ChemicalSubstance 5-iminohexane-1,2,3,4,6-pentol A ketimine consisting of hexane carring five hydroxy substituents at positions 1, 2, 3, 4 and 6 as well as the imino group at position 5. chebi.json 1,2,3,4,6-pentahydroxy-5-iminohexane|5-iminohexane-1,2,3,4,6-pentol http://purl.obolibrary.org/obo/CHEBI_131195 3_STAR CHEBI:99325 biolink:ChemicalSubstance (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[2-(1-piperidinyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide LINCS:LSM-10704 chebi.json http://purl.obolibrary.org/obo/CHEBI_99325 2_STAR CHEBI:90991 biolink:ChemicalSubstance steroid receptor coactivator stimulator A compound that enhances the activity of a steroid receptor coactivator. PMID:26267537 chebi.json steroid receptor coactivator small molecule stimulators|SRC stimulator|steroid receptor coactivator stimulators|SRC stimulators|steroid receptor coactivator small molecule stimulator http://purl.obolibrary.org/obo/CHEBI_90991 3_STAR CHEBI:131196 biolink:ChemicalSubstance OSU-03012 A member of the class of pyrazoles that is N-[4-(pyrazol-1-yl)phenyl]glycinamide in which the pyrazole ring is substituted at positions 3 and 5 by trifluoromethyl and phenanthrene-2-yl groups respectively. PMID:25736380|PMID:25482718|CAS:742112-33-0|PMID:23706161|PMID:25267669|PMID:26768723|PMID:26787696|PMID:23652278|PMID:22354011|PMID:26419972|PMID:25103559|PMID:25447826|PMID:25546329|Wikipedia:OSU-03012|PMID:25689303|PMID:26887051|Reaxys:11001693 chebi.json N-{4-[5-(phenanthren-2-yl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}glycinamide|AR 12|PDK1 inhibitor AR-12|OSU 03012|AR-12 http://purl.obolibrary.org/obo/CHEBI_131196 3_STAR CHEBI:99326 biolink:ChemicalSubstance N-[(4S,7R,8S)-5-[(4-fluorophenyl)-oxomethyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide LINCS:LSM-10705 chebi.json http://purl.obolibrary.org/obo/CHEBI_99326 2_STAR CHEBI:90992 biolink:ChemicalSubstance 20-hydroxy-6-trans-leukotriene B4 A member of the class of leukotrienes that is 6-trans-leukotriene B4 bearing an additional hydroxy substituent at position 20. PMID:9675028 chebi.json 20-hydroxy-6-trans-LTB4|(5S,12R,20)-trihydroxy-(6E,8E,10E,14Z)-icosatetraenoic acid|(5S,6E,8E,10E,12R,14Z)-5,12,20-trihydroxyicosa-6,8,10,14-tetraenoic acid|(5S,6E,8E,10E,12R,14Z)-5,12,20-trihydroxyicosatetraenoic acid http://purl.obolibrary.org/obo/CHEBI_90992 3_STAR CHEBI:99316 biolink:ChemicalSubstance N-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide LINCS:LSM-10695 chebi.json http://purl.obolibrary.org/obo/CHEBI_99316 2_STAR CHEBI:99317 biolink:ChemicalSubstance N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(1-oxopropyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide LINCS:LSM-10696 chebi.json http://purl.obolibrary.org/obo/CHEBI_99317 2_STAR CHEBI:170730 biolink:ChemicalSubstance PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) Chemspider:24769096|HMDB:HMDB0009652 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170730 2_STAR CHEBI:99318 biolink:ChemicalSubstance 3-[4-[(2R,3S,4S)-2-cyano-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-3-azetidinyl]phenyl]-N,N-dimethylbenzamide LINCS:LSM-10697 chebi.json http://purl.obolibrary.org/obo/CHEBI_99318 2_STAR CHEBI:99319 biolink:ChemicalSubstance 2-[(3R,6aR,8S,10aR)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(cyclohexylmethyl)acetamide LINCS:LSM-10698 chebi.json http://purl.obolibrary.org/obo/CHEBI_99319 2_STAR CHEBI:170731 biolink:ChemicalSubstance TG(16:1(9Z)/18:2(9Z,12Z)/18:1(11Z)) HMDB:HMDB0048744|Chemspider:59657847 chebi.json [(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170731 2_STAR CHEBI:170732 biolink:ChemicalSubstance PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) Chemspider:24769064|HMDB:HMDB0009620 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170732 2_STAR CHEBI:170733 biolink:ChemicalSubstance TG(14:1(9Z)/22:2(13Z,16Z)/16:1(9Z)) Chemspider:59657335|HMDB:HMDB0048185 chebi.json [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170733 2_STAR CHEBI:170734 biolink:ChemicalSubstance PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) Chemspider:24769063|HMDB:HMDB0009619 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170734 2_STAR CHEBI:170735 biolink:ChemicalSubstance TG(14:1(9Z)/20:2n6/18:1(9Z)) Chemspider:59657271|HMDB:HMDB0048118 chebi.json [(2S)-1-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170735 2_STAR CHEBI:170736 biolink:ChemicalSubstance TG(14:1(9Z)/20:2n6/18:1(11Z)) Chemspider:59657270|HMDB:HMDB0048117 chebi.json [(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170736 2_STAR CHEBI:170737 biolink:ChemicalSubstance PE(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) HMDB:HMDB0009588|LIPID_MAPS_instance:LMGP02011115|Chemspider:24769032 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170737 2_STAR CHEBI:170738 biolink:ChemicalSubstance PE(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)) HMDB:HMDB0009461|LIPID_MAPS_instance:LMGP02010981|Chemspider:24768912 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170738 2_STAR CHEBI:170739 biolink:ChemicalSubstance TG(16:1(9Z)/16:0/20:3n6) HMDB:HMDB0048467|Chemspider:59657601 chebi.json [(2S)-2-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170739 2_STAR CHEBI:90986 biolink:ChemicalSubstance (20S,24S)-dihydroxyvitamin D3 A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 and 24 (both with S-configuration). PMID:25727742|PMID:26367019 chebi.json 20S,24S-dihydroxycholecalciferol|(3S,5Z,7E,24S)-9,10-secocholesta-5,7,10-triene-3,20,24-triol|20S,24S(OH)2D3 http://purl.obolibrary.org/obo/CHEBI_90986 3_STAR CHEBI:90987 biolink:ChemicalSubstance 3-deoxy-D-glycero-beta-D-galacto-nonulosonate 9-phosphate(3-) A carbohydrate acid derivative anion obtained by deprotonation of the phosphate and carboxy groups of 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid 9-phosphate PMID:23848398|MetaCyc:CPD-10735|PMID:18986982 chebi.json 3-deoxy-9-O-phosphonato-D-glycero-beta-D-galacto-non-2-ulopyranosonate|3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonate 9-phosphate|2-keto-3-deoxy-D-glycero-D-galacto-nononate 9-phosphate http://purl.obolibrary.org/obo/CHEBI_90987 3_STAR CHEBI:90988 biolink:ChemicalSubstance 3-deoxy-D-glycero-beta-D-galacto-nonulosonate A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid PMID:18804026|PMID:18986982|MetaCyc:CPD-10734 chebi.json 2-keto-3-deoxy-D-glycero-D-galacto-nononate|deamino-beta-neuraminate|3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonate|3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonate|beta-KDN(1-) http://purl.obolibrary.org/obo/CHEBI_90988 3_STAR CHEBI:90989 biolink:ChemicalSubstance CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonate(2-) A nucleotide-sugar oxoanion obtained by deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid; major species at pH 7.3. PMID:18804026|MetaCyc:CPD-10737|Reaxys:8180555 chebi.json CMP-deaminoneuraminate|CMP-KDN(2-)|CMP-beta-3-deoxy-D-glycero-beta-D-galacto-non-2-ulopyranosonate|CMP-3-deoxy-D-glycero-beta-D-galacto-nononate(2-) http://purl.obolibrary.org/obo/CHEBI_90989 3_STAR CHEBI:90982 biolink:ChemicalSubstance 8,20-DiHETE A DiHETE that is 8-HETE carrying an additional hydroxy substituent at position 20. PMID:15364545 chebi.json 8,20-dihydroxy-5Z,9E,11Z,14Z-icosatetraenoic acid|(5Z,9E,11Z,14Z)-8,20-dihydroxyicosa-5,9,11,14-tetraenoic acid|(5Z,9E,11Z,14Z)-8,20-dihydroxyicosatetraenoic acid|8,20-dihydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid http://purl.obolibrary.org/obo/CHEBI_90982 3_STAR CHEBI:90983 biolink:ChemicalSubstance (20S)-hydroxyvitamin D3 A hydroxycalciol that consists of vitamin D3 (calciol) carrying an additional hydroxy group at position 20 with S-configuration. PMID:26433048|PMID:25727742|Reaxys:20673695|PMID:26367019|PMID:26976974|PMID:23295467|PMID:26970587 chebi.json (20S)OHD3|20S-hydroxycholecalciferol|(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,20-diol|(20S)-hydroxycholecalciferol http://purl.obolibrary.org/obo/CHEBI_90983 3_STAR CHEBI:90984 biolink:ChemicalSubstance 20(S),25-dihydroxyvitamin D3 A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration) and 25. PMID:25727742|PMID:26367019|Reaxys:22571896 chebi.json 20S,25-dihydroxycholecalciferol|(3S,5Z,7E)-9,10-secocholesta-5,7,10-triene-3,20,25-triol|20S,25(OH)2D3 http://purl.obolibrary.org/obo/CHEBI_90984 3_STAR CHEBI:99310 biolink:ChemicalSubstance N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-(4-morpholinyl)-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-methoxyacetamide LINCS:LSM-10689 chebi.json http://purl.obolibrary.org/obo/CHEBI_99310 2_STAR CHEBI:90985 biolink:ChemicalSubstance (20S,24R)-dihydroxyvitamin D3 A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration) and 24 (with R-configuration). PMID:25727742|PMID:26367019 chebi.json 20S,24R-dihydroxycholecalciferol|(3S,5Z,7E,24R)-9,10-secocholesta-5,7,10-triene-3,20,24-triol|20S,24R(OH)2D3 http://purl.obolibrary.org/obo/CHEBI_90985 3_STAR CHEBI:99311 biolink:ChemicalSubstance 3-[3-[(3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[4-morpholinyl(oxo)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide LINCS:LSM-10690 chebi.json http://purl.obolibrary.org/obo/CHEBI_99311 2_STAR CHEBI:99312 biolink:ChemicalSubstance (2R,3R,3aS,9bS)-7-(1-cyclohexenyl)-N-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide LINCS:LSM-10691 chebi.json http://purl.obolibrary.org/obo/CHEBI_99312 2_STAR CHEBI:99313 biolink:ChemicalSubstance N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide LINCS:LSM-10692 chebi.json http://purl.obolibrary.org/obo/CHEBI_99313 2_STAR CHEBI:90980 biolink:ChemicalSubstance 23(S),25-dihydroxy-24-oxovitamin D3 A hydroxycalciol that is 25-hydroxyvitamin D3 carrying an additional hydroxy group at position 23 (with 23S-configuration) and an oxo group at position 24. An intermediate in the degradation pathway of 25-OH-vitamin D3. Reaxys:8812782|PMID:8679605|PMID:11012668 chebi.json 24-oxo-23S,25-(OH)2D3|23S,25-dihydroxy-24-oxocholecalciferol|(3S,5Z,7E,23S)-3,23,25-trihydroxy-9,10-secocholesta-5,7,10-trien-24-one http://purl.obolibrary.org/obo/CHEBI_90980 3_STAR CHEBI:99314 biolink:ChemicalSubstance LSM-10693 LINCS:LSM-10693 chebi.json http://purl.obolibrary.org/obo/CHEBI_99314 2_STAR CHEBI:90981 biolink:ChemicalSubstance beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-D-Galp-yl group A tetrasaccharide glycosyl group consisting of beta-D-galactosyl, beta-D-N-acetyl-galactosaminyl and D-galactosyl residues linked sequentially (1->3) and (1->4), to the D-galactosyl residue at the reducing end is also linked (2->3) an N-acetyl-alpha-neuraminyl residue. PMID:26405107 chebi.json 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|beta-D-galactosyl-(1->3)-beta-D-N-acetyl-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-D-galactosyl|beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-D-Gal-y|beta-D-galactosyl-(1->3)-beta-D-N-acetyl-galactosaminyl-(1->4)-[N-acetyl-alpha-neuraminyl-(2->3)]-D-galactosyl|beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-D-Gal-yl group http://purl.obolibrary.org/obo/CHEBI_90981 3_STAR CHEBI:99315 biolink:ChemicalSubstance 2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide LINCS:LSM-10694 chebi.json http://purl.obolibrary.org/obo/CHEBI_99315 2_STAR CHEBI:99349 biolink:ChemicalSubstance LSM-10728 LINCS:LSM-10728 chebi.json http://purl.obolibrary.org/obo/CHEBI_99349 2_STAR CHEBI:170740 biolink:ChemicalSubstance TG(16:1(9Z)/16:0/20:3(5Z,8Z,11Z)) HMDB:HMDB0048461|Chemspider:59657595 chebi.json [(2S)-2-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170740 2_STAR CHEBI:170741 biolink:ChemicalSubstance PE(20:4(8Z,11Z,14Z,17Z)/20:2(11Z,14Z)) HMDB:HMDB0009429|Chemspider:24768880 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170741 2_STAR CHEBI:170742 biolink:ChemicalSubstance TG(14:1(9Z)/20:0/18:3(9Z,12Z,15Z)) Chemspider:59656998|HMDB:HMDB0047832 chebi.json [(2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170742 2_STAR CHEBI:170743 biolink:ChemicalSubstance PE(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)) Chemspider:24768847|HMDB:HMDB0009396|LIPID_MAPS_instance:LMGP02010953 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170743 2_STAR CHEBI:170744 biolink:ChemicalSubstance PE(20:3(8Z,11Z,14Z)/20:3(5Z,8Z,11Z)) Chemspider:24768815|HMDB:HMDB0009364 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170744 2_STAR CHEBI:170745 biolink:ChemicalSubstance TG(14:1(9Z)/20:0/18:3(6Z,9Z,12Z)) HMDB:HMDB0047825|Chemspider:59656991 chebi.json [(2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170745 2_STAR CHEBI:170746 biolink:ChemicalSubstance TG(14:1(9Z)/18:0/20:3n6) Chemspider:59656971|HMDB:HMDB0047804 chebi.json [(2S)-2-octadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170746 2_STAR CHEBI:170747 biolink:ChemicalSubstance PE(20:3(5Z,8Z,11Z)/20:3(8Z,11Z,14Z)) HMDB:HMDB0009332|Chemspider:24768783 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170747 2_STAR CHEBI:170748 biolink:ChemicalSubstance TG(14:1(9Z)/18:0/20:3(5Z,8Z,11Z)) HMDB:HMDB0047798|Chemspider:59656965 chebi.json [(2S)-2-octadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170748 2_STAR CHEBI:170749 biolink:ChemicalSubstance PE(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)) HMDB:HMDB0009331|Chemspider:24768782 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170749 2_STAR CHEBI:131175 biolink:ChemicalSubstance 2-methyl-2-butenoic acid [(9R)-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-h][1]benzopyran-9-yl] ester LINCS:LSM-2141 chebi.json http://purl.obolibrary.org/obo/CHEBI_131175 2_STAR CHEBI:131176 biolink:ChemicalSubstance 1-(diphenylmethyl)-4-(3-phenylprop-2-enyl)piperazine HMDB:HMDB0014708|LINCS:LSM-2142 chebi.json http://purl.obolibrary.org/obo/CHEBI_131176 2_STAR CHEBI:131177 biolink:ChemicalSubstance 5-(3-bromophenyl)-4-[(1-methyl-5-tetrazolyl)thio]thieno[2,3-d]pyrimidine LINCS:LSM-2143 chebi.json http://purl.obolibrary.org/obo/CHEBI_131177 2_STAR CHEBI:131178 biolink:ChemicalSubstance 6-[2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-pyranone LINCS:LSM-2144 chebi.json http://purl.obolibrary.org/obo/CHEBI_131178 2_STAR CHEBI:131179 biolink:ChemicalSubstance 1-(4-methoxyphenyl)sulfonyl-2-benzimidazolamine LINCS:LSM-2145 chebi.json http://purl.obolibrary.org/obo/CHEBI_131179 2_STAR CHEBI:99340 biolink:ChemicalSubstance LSM-10719 LINCS:LSM-10719 chebi.json http://purl.obolibrary.org/obo/CHEBI_99340 2_STAR CHEBI:99341 biolink:ChemicalSubstance N-[(2R,3R,6S)-6-[2-(4-cyclohexyl-1-triazolyl)ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-(4-morpholinyl)acetamide LINCS:LSM-10720 chebi.json http://purl.obolibrary.org/obo/CHEBI_99341 2_STAR CHEBI:99342 biolink:ChemicalSubstance (3S,6aR,8R,10aR)-N-(4-fluorophenyl)-3-hydroxy-8-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide LINCS:LSM-10721 chebi.json http://purl.obolibrary.org/obo/CHEBI_99342 2_STAR CHEBI:99343 biolink:ChemicalSubstance (2S,3R,4R)-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile LINCS:LSM-10722 chebi.json http://purl.obolibrary.org/obo/CHEBI_99343 2_STAR CHEBI:131170 biolink:ChemicalSubstance (3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[[(1S)-1-carboxy-2-phenylethyl]amino]-oxomethyl]-1-pyrrolidinyl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid LINCS:LSM-42772|HMDB:HMDB0001035 chebi.json http://purl.obolibrary.org/obo/CHEBI_131170 2_STAR CHEBI:99344 biolink:ChemicalSubstance N-[(2S,3S)-4-[(4-fluorophenyl)sulfonyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methyl-1,3-benzodioxole-5-carboxamide LINCS:LSM-10723 chebi.json http://purl.obolibrary.org/obo/CHEBI_99344 2_STAR CHEBI:99345 biolink:ChemicalSubstance N-[(5S,6R,9R)-5-methoxy-8-[(2-methoxyphenyl)methyl]-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide LINCS:LSM-10724 chebi.json http://purl.obolibrary.org/obo/CHEBI_99345 2_STAR CHEBI:131171 biolink:ChemicalSubstance LSM-42773 LINCS:LSM-42773 chebi.json http://purl.obolibrary.org/obo/CHEBI_131171 2_STAR CHEBI:99346 biolink:ChemicalSubstance 2-[(2S,4aR,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide LINCS:LSM-10725 chebi.json http://purl.obolibrary.org/obo/CHEBI_99346 2_STAR CHEBI:131172 biolink:ChemicalSubstance 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[4-methyl-3-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea LINCS:LSM-42774 chebi.json http://purl.obolibrary.org/obo/CHEBI_131172 2_STAR CHEBI:99347 biolink:ChemicalSubstance (2S,3S,4S)-4-(hydroxymethyl)-1-methylsulfonyl-3-(4-pent-1-ynylphenyl)-2-azetidinecarbonitrile LINCS:LSM-10726 chebi.json http://purl.obolibrary.org/obo/CHEBI_99347 2_STAR CHEBI:131173 biolink:ChemicalSubstance 1-[2-[5-(2-methoxyethoxy)-1-benzimidazolyl]-8-quinolinyl]-4-piperidinamine LINCS:LSM-42775 chebi.json http://purl.obolibrary.org/obo/CHEBI_131173 2_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. PMID:32446890|PMID:28947240|LINCS:LSM-42776|PMID:26575826|PMID:18085673|PMID:29580266|PMID:29237758|DrugBank:DB12340|PMID:32675749|PDBeChem:1XJ|PMID:32611834|PMID:32652830|PMID:29913235|PMID:31276572|PMID:30721730|PMID:26958630|CAS:923564-51-6|PMID:30614795|PMID:32337074|PMCID:PMC6011937|PMID:32509782|PMID:30919222|PMID:29156797|PMID:23291630|PMID:29753379|KEGG:D09935|PMID:30224339|PMID:32687646|PMID:31399555|PMID:32247610|PMID:31459977|LINCS:LSM-4738|Chemspider:21864722|PMID:31367332|Wikipedia:Navitoclax|PMID:28713162 chebi.json ABT263|navitoclaxum|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|ABT 263|ABT-263|navitoclax|A-855071.0 http://purl.obolibrary.org/obo/CHEBI_131174 3_STAR CHEBI:99348 biolink:ChemicalSubstance (2S,3S,4R)-2-cyano-4-(hydroxymethyl)-N-(2-methoxyphenyl)-3-phenyl-1-azetidinecarboxamide LINCS:LSM-10727 chebi.json http://purl.obolibrary.org/obo/CHEBI_99348 2_STAR CHEBI:99338 biolink:ChemicalSubstance N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide LINCS:LSM-10717 chebi.json http://purl.obolibrary.org/obo/CHEBI_99338 2_STAR CHEBI:170750 biolink:ChemicalSubstance TG(14:1(9Z)/20:1(11Z)/18:2(9Z,12Z)) HMDB:HMDB0047985|Chemspider:59657144 chebi.json [(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170750 2_STAR CHEBI:170751 biolink:ChemicalSubstance PE(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)) HMDB:HMDB0009301|Chemspider:24768752 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170751 2_STAR CHEBI:99339 biolink:ChemicalSubstance N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-phenylbenzamide LINCS:LSM-10718 chebi.json http://purl.obolibrary.org/obo/CHEBI_99339 2_STAR CHEBI:170752 biolink:ChemicalSubstance TG(14:1(9Z)/18:1(9Z)/20:2n6) Chemspider:59657124|HMDB:HMDB0047964 chebi.json [(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170752 2_STAR CHEBI:170753 biolink:ChemicalSubstance PE(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) HMDB:HMDB0009206|LIPID_MAPS_instance:LMGP02010766|Chemspider:24768668 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170753 2_STAR CHEBI:170754 biolink:ChemicalSubstance TG(14:1(9Z)/18:1(11Z)/20:2n6) HMDB:HMDB0047941|Chemspider:59657102 chebi.json [(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170754 2_STAR CHEBI:170755 biolink:ChemicalSubstance PE(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) Chemspider:24768571|HMDB:HMDB0009108|LIPID_MAPS_instance:LMGP02010678 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170755 2_STAR CHEBI:170756 biolink:ChemicalSubstance TG(14:1(9Z)/16:1(9Z)/22:2(13Z,16Z)) LIPID_MAPS_instance:LMGL03014673 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170756 2_STAR CHEBI:170757 biolink:ChemicalSubstance PE(18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) Chemspider:24768541|HMDB:HMDB0009077 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170757 2_STAR CHEBI:170758 biolink:ChemicalSubstance TG(14:1(9Z)/18:2(9Z,12Z)/20:1(11Z)) LIPID_MAPS_instance:LMGL03014794|Chemspider:75320336 chebi.json [(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170758 2_STAR CHEBI:170759 biolink:ChemicalSubstance PE(18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) HMDB:HMDB0009076|Chemspider:24768540 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170759 2_STAR CHEBI:131186 biolink:ChemicalSubstance IP3 receptor antagonist An antagonist that binds to and deactivates IP3 receptors. Wikipedia:Inositol_trisphosphate_receptor chebi.json inositol trisphosphate receptor antagonist|D-myo-inositol 1,4,5-trisphosphate receptor antagonists|IP3 antagonists|InsP3R antagonist|InsP3R antagonists|D-myo-inositol 1,4,5-trisphosphate receptor antagonist|IP3 receptor|inositol trisphosphate receptor antagonists|IP3 antagonist http://purl.obolibrary.org/obo/CHEBI_131186 3_STAR CHEBI:131187 biolink:ChemicalSubstance 1,3,5-pentanetriol A triol that is pentane with the three hydroxy groups located at positions 1,3 and 5. Reaxys:1734382 chebi.json pentane-1,3,5-triol|1,3,5-trihydroxypentane http://purl.obolibrary.org/obo/CHEBI_131187 3_STAR CHEBI:131188 biolink:ChemicalSubstance formycin 3',5'-cyclic phosphate A nucleoside 3',5'-cyclic phosphate derived from formycin A. Reaxys:1041600|CAS:54532-48-8 chebi.json (4aR,6S,7S,7aS)-6-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-2,7-dihydroxytetrahydro-2H,4H-2lambda(5)-furo[3,2-d][1,3,2]dioxaphosphinin-2-one|formycin cyclic 3',5'-monophosphate|formycin A 3',5'-cyclic phosphate|formycin cyclic 3',5'-phosphate http://purl.obolibrary.org/obo/CHEBI_131188 3_STAR CHEBI:131189 biolink:ChemicalSubstance glass A hard, amorphous, brittle, inorganic, usually transparent, polymerous silicate of basic oxides, usually potassium or sodium. Wikipedia:Glass chebi.json http://purl.obolibrary.org/obo/CHEBI_131189 3_STAR CHEBI:99330 biolink:ChemicalSubstance N-[(2R,3S,6R)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide LINCS:LSM-10709 chebi.json http://purl.obolibrary.org/obo/CHEBI_99330 2_STAR CHEBI:99331 biolink:ChemicalSubstance N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(3-pyridinyl)-1-triazolyl]ethyl]-3-oxanyl]-4-methylbenzenesulfonamide LINCS:LSM-10710 chebi.json http://purl.obolibrary.org/obo/CHEBI_99331 2_STAR CHEBI:99332 biolink:ChemicalSubstance N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(2-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide LINCS:LSM-10711 chebi.json http://purl.obolibrary.org/obo/CHEBI_99332 2_STAR CHEBI:131180 biolink:ChemicalSubstance 2-[4-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetic acid LINCS:LSM-2146 chebi.json http://purl.obolibrary.org/obo/CHEBI_131180 2_STAR CHEBI:99333 biolink:ChemicalSubstance N-[(2R,3R,6S)-6-(2-aminoethyl)-2-(hydroxymethyl)-3-oxanyl]-2-fluorobenzamide LINCS:LSM-10712 chebi.json http://purl.obolibrary.org/obo/CHEBI_99333 2_STAR CHEBI:131181 biolink:ChemicalSubstance (2R)-23-oxotetracosan-2-yl alpha-L-ascaroside A hydroxy ketone ascaroside obtained by obtained by formal condensation of the 23-hydroxy group of (23R)-23-hydroxytetracosan-2-one with ascarylopyranose (the alpha-anomer). It is a metabolite of the nematode Caenorhabditis elegans. chebi.json (2R)-23-oxotetracosan-2-yl 3,6-dideoxy-alpha-L-arabino-hexopyranoside|(23R)-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-tetracosan-2-one http://purl.obolibrary.org/obo/CHEBI_131181 3_STAR CHEBI:99334 biolink:ChemicalSubstance N-[(5R,6R,9R)-8-acetyl-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxybenzamide LINCS:LSM-10713 chebi.json http://purl.obolibrary.org/obo/CHEBI_99334 2_STAR CHEBI:131182 biolink:ChemicalSubstance N(gamma)-nitro-L-arginine methyl ester hydrochloride A hydrochloride obtained by combining N(gamma)-nitro-L-arginine methyl ester with one equivalent of hydrochloric acid. CAS:51298-62-5|PMID:26825543|Reaxys:3744166|PMID:20304164 chebi.json methyl N(gamma)-nitro-L-argininate hydrochloride|Methyl N5-(imino(nitroamino)methyl)-L-ornithine monohydrochloride|L-NAME monohydrochloride|N(gamma)-nitro-L-arginine methyl ester monohydrochloride|LNAME hydrochloride|Arg(NO2)-OMe.HCl|L-NAME hydrochloride http://purl.obolibrary.org/obo/CHEBI_131182 3_STAR CHEBI:99335 biolink:ChemicalSubstance N-[(2R,3S)-4-[(2,5-difluorophenyl)methyl-methylamino]-3-methoxy-2-methylbutyl]-4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide LINCS:LSM-10714 chebi.json http://purl.obolibrary.org/obo/CHEBI_99335 2_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 chebi.json http://purl.obolibrary.org/obo/CHEBI_131183 3_STAR CHEBI:131184 biolink:ChemicalSubstance 2-aminoethoxydiphenylborane An organoboron compound that is diphenylborane in which the borane hydrogen is replaced by a 2-aminoethoxy group. CAS:524-95-8|PMID:26763850|PMID:26679996|PMID:26879043|PMID:26615493|Reaxys:2942273|PMID:26900082|PMID:26725171|PMID:26876731|CAS:524-95-8|Wikipedia:2-Aminoethoxydiphenyl_borate|PMID:26471419|KEGG:C20698 chebi.json o-(2-Aminoethyl)diphenylborinic acid|B-(2-Aminoethoxy)diphenylborane|2-APB|2-Aminoethyl diphenylborinate|2-aminoethyl diphenylborinate http://purl.obolibrary.org/obo/CHEBI_131184 3_STAR CHEBI:99336 biolink:ChemicalSubstance N-[(4R,7S,8R)-5-[(2,5-difluorophenyl)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide LINCS:LSM-10715 chebi.json http://purl.obolibrary.org/obo/CHEBI_99336 2_STAR CHEBI:131185 biolink:ChemicalSubstance pinacol A glycol that is ethylene glycol in which all four methylene hydrogens have been replaced by methyl groups. Beilstein:1340501|Reaxys:1340501|CAS:76-09-5|CAS:76-09-5 chebi.json 2,3-Dihydroxy-2,3-dimethylbutane|2,3-Dimethyl-2,3-butanediol|2,3-Dimethyl-2,3-dihydroxybutane|1,1,2,2-Tetramethylethylene glycol|2,3-dimethylbutane-2,3-diol|Tetramethylethylene glycol http://purl.obolibrary.org/obo/CHEBI_131185 3_STAR CHEBI:99337 biolink:ChemicalSubstance N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(5-pyrimidinylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide LINCS:LSM-10716 chebi.json http://purl.obolibrary.org/obo/CHEBI_99337 2_STAR CHEBI:26307 biolink:ChemicalSubstance propionitrile A nitrile that is acrylonitrile in which the carbon-carbon double bond has been reduced to a single bond. Reaxys:773680|PMID:938041|CAS:107-12-0|PMID:9098948|CAS:107-12-0|PMID:8331438|PMID:20129732|MetaCyc:CPD-8860|Wikipedia:Propionitrile|PMID:3315259|PMID:3429812 chebi.json n-propanenitrile|EtCN|cyanoethane|CH3CH2CN|propiononitrile|propanenitrile|ethyl cyanide|propionic nitrile http://purl.obolibrary.org/obo/CHEBI_26307 3_STAR CHEBI:26308 biolink:ChemicalSubstance propyl group chebi.json Pr|propyl|-[CH2]2-CH3|n-propyl|propan-1-yl|CH3-[CH2]2- http://purl.obolibrary.org/obo/CHEBI_26308 3_STAR CHEBI:26301 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26301 CHEBI:26302 biolink:ChemicalSubstance propenoyl-CoA chebi.json http://purl.obolibrary.org/obo/CHEBI_26302 1_STAR CHEBI:26303 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26303 CHEBI:26304 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26304 CHEBI:26300 biolink:ChemicalSubstance propenol chebi.json http://purl.obolibrary.org/obo/CHEBI_26300 1_STAR CHEBI:65913 biolink:ChemicalSubstance FR207944 A triterpene glycoside with strong antifungal activity against Aspergillus fumigatus and Candida albicans. It is isolated from natural Chaetomium sp.no.217. PMID:15914927|PMID:15784979 chebi.json (1R,2R,4aS,6aR,8R,9R,10aS,12aS)-9-(acetyloxy)-8-(beta-D-glucopyranosyloxy)-2,4a,7,7,10a,12a-hexamethyl-2-[(2R)-3-methylbutan-2-yl]-1,2,3,4,4a,5,6,6a,7,8,9,10,10a,11,12,12a-hexadecahydrochrysene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_65913 3_STAR CHEBI:65914 biolink:ChemicalSubstance FR901463 A cyclic hemiketal isolated from the fermentation broth of Pseudomonas sp.no.2663. It displays potent cytotoxic activity against human tumour cells. PMID:9031665|Reaxys:8176949|PMID:9031664|PMID:9066774|CAS:146478-74-2 chebi.json 6-[(1E,3E)-5-(5-{[(2Z)-4-(acetyloxy)pent-2-enoyl]amino}-3,6-dimethyltetrahydro-2H-pyran-2-yl)-3-methylpenta-1,3-dien-1-yl]-4-C-(chloromethyl)-1,3-dideoxy-alpha-D-erythro-hex-2-ulopyranose|(3Z)-5-[(6-{(2E,4E)-5-[(3R,4S,6S)-4-(chloromethyl)-3,4,6-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl)amino]-5-oxopent-3-en-2-yl acetate http://purl.obolibrary.org/obo/CHEBI_65914 3_STAR CHEBI:65915 biolink:ChemicalSubstance FR901464 A spiro-epoxide with potent anticancer activity that lowers the mRNA levels of oncogenes and tumour supressor genes. It is isolated from Pseudomonas sp. no.2663. Patent:US2011086909|Reaxys:8176008|PMID:9031664|Patent:WO2009031999|CAS:146478-72-0|PMID:17279752|PMID:21226105 chebi.json (2S,3Z)-5-{[(2R,3R,5S,6S)-6-{(2E,4E)-5-[(3R,4R,5R,7S)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]-3-methylpenta-2,4-dien-1-yl}-2,5-dimethyltetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate http://purl.obolibrary.org/obo/CHEBI_65915 3_STAR CHEBI:65916 biolink:ChemicalSubstance FR901465 A spiro-epoxide with potent cytotoxic activity against human tumour cells. It is isolated from Pseudomonas sp. no.2663. PMID:9031665|PMID:9031664|PMID:9066774|CAS:146478-73-1|Reaxys:8176532 chebi.json (2S,3Z)-5-{[(2R,3R,5S,6S)-2,5-dimethyl-6-{(2E,4E)-3-methyl-5-[(3R,4R,5R,7S,8R)-4,7,8-trihydroxy-7-methyl-1,6-dioxaspiro[2.5]oct-5-yl]penta-2,4-dien-1-yl}tetrahydro-2H-pyran-3-yl]amino}-5-oxopent-3-en-2-yl acetate http://purl.obolibrary.org/obo/CHEBI_65916 3_STAR CHEBI:65910 biolink:ChemicalSubstance 4849F An azaarene that is benzo[c]cinnoline with methoxy substituents at positions 1 and 10. It is isolated from Streptomyces sp. strain 4849 with pharmaceutical potential as an inhibitor of interleukin-4 receptor (IL-4). PMID:17551212 chebi.json 1,10-dimethoxybenzo[c]cinnoline http://purl.obolibrary.org/obo/CHEBI_65910 3_STAR CHEBI:65911 biolink:ChemicalSubstance FR177391 A 14-membered macrolide isolated from the Serratia liquefaciens and exhibits anti-hyperlipidemic activity. PMID:16392679|PMID:16392681|PMID:16392682|PMID:16392680 chebi.json (3E,5R)-5-[(1R,5R,6Z,9Z,13R,15R)-5-(acetyloxy)-10-chloro-6-methyl-3-oxo-2,14-dioxabicyclo[11.2.1]hexadeca-6,9-dien-15-yl]-5-hydroxy-3-methylpent-3-enoic acid http://purl.obolibrary.org/obo/CHEBI_65911 3_STAR CHEBI:65912 biolink:ChemicalSubstance FR191512 A polyphenol which is the benzoate ester obtained by formal condensation of the hydroxy ester derivative produced by the successive intermolecular condensation of 3 molecules of 2,4-dihydroxy-6-(2-hydroxypropyl)benzoic acid with the carboxy OH of o-orsellinic acid. It is isolated from the Fungus strain no.17415 and exhibits activity against the infectivity of influenza A virus. PMID:11217797|Reaxys:8750768|PMID:11217798 chebi.json 2-{2-[(2-{2-[(2-{2-[(2,4-dihydroxy-6-methylbenzoyl)oxy]propyl}-4,6-dihydroxybenzoyl)oxy]propyl}-4,6-dihydroxybenzoyl)oxy]propyl}-4,6-dihydroxybenzoic acid http://purl.obolibrary.org/obo/CHEBI_65912 3_STAR CHEBI:65917 biolink:ChemicalSubstance FR901469 hydrochloride A hydrochloride salt resulting from the mixture of equimolar amounts of FR901469 and hydrogen chloride. It is isolated from an unidentified Fungus and exhibits antifungal and antipneumonic activities. PMID:11560378|PMID:11099224|Reaxys:8756288|PMID:11099225 chebi.json (3R)-3-[(2R,6S,9S,12R,15R,19R,22S,25R,31S,33aS,34S,39S,42R,44aS)-22-(3-aminopropyl)-2,34-dihydroxy-9-(4-hydroxybenzyl)-15,25,39,42-tetrakis[(1R)-1-hydroxyethyl]-12-methyl-5,8,11,14,17,21,24,27,30,33,38,41,44-tridecaoxo-6-(propan-2-yl)-19-tridecyltetracontahydro-1H,5H,21H-dipyrrolo[2,1-:o2',1'-x][1,4,7,10,13,16,19,22,25,28,31,34,37]oxadodecaazacyclotetracontin-31-yl]-3-hydroxypropanamide hydrochloride http://purl.obolibrary.org/obo/CHEBI_65917 3_STAR CHEBI:26309 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26309 CHEBI:65918 biolink:ChemicalSubstance fucodiphloroethol G A phlorotannin that consists of biphenyl-2,2',4,4',6-pentol substituted by a 2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy substituent at position 6'. Isolated from the marine brown alga Ecklonia cava, it exhibits anti-allergic, antioxidant and hypoglycemic activities. AGR:IND44221916|PMID:19053379|Reaxys:20009564|PMID:19201199 chebi.json 6'-[2,4-dihydroxy-6-(2,4,6-trihydroxyphenoxy)phenoxy]biphenyl-2,2',4,4',6-pentol http://purl.obolibrary.org/obo/CHEBI_65918 3_STAR CHEBI:65919 biolink:ChemicalSubstance fukanemarin A A hydroxycoumarin that is 4,7-dihydroxycoumarin substituted by a 1,2,6,10-tetramethyl-8-oxoundeca-2(E),5(E),9-trienyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effects on the production of nitric oxide (NO). Reaxys:10217742|Chemspider:10186014|PMID:15043424 chebi.json 4,7-dihydroxy-3-(1,2,6,10-tetramethyl-8-oxoundeca-2(E),5(E),9-trienyl)coumarin|4,7-dihydroxy-3-[(3E,6E)-3,7,11-trimethyl-9-oxododeca-3,6,10-trien-2-yl]-2H-chromen-2-one http://purl.obolibrary.org/obo/CHEBI_65919 3_STAR CHEBI:26316 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26316 CHEBI:26317 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26317 CHEBI:26318 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26318 CHEBI:26319 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26319 CHEBI:26312 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26312 CHEBI:26313 biolink:ChemicalSubstance propynol chebi.json http://purl.obolibrary.org/obo/CHEBI_26313 1_STAR CHEBI:26314 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26314 CHEBI:26315 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26315 CHEBI:65924 biolink:ChemicalSubstance fukanefuromarin D A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-4(Z),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). PMID:15043424|Reaxys:10222940 chebi.json (2R*,3R*)-2-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-7-hydroxy-2,3-dimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-one|2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4,8-dimethyl-4(Z),7-nonadien-6-onyl]-furo[3,2-c]coumarin http://purl.obolibrary.org/obo/CHEBI_65924 3_STAR CHEBI:65925 biolink:ChemicalSubstance fukanefuromarin E A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a methoxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). Reaxys:9972943|PMID:15467238 chebi.json 2,3-dihydro-7-methoxy-2S*,3R*-dimethyl-3-[4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl]-furo[3,2-c]coumarin|(2S*,3R*)-7-methoxy-2,3-dimethyl-3-[(3E)-4-methyl-5-(4-methylfuran-2-yl)pent-3-en-1-yl]-2,3-dihydro-4H-furo[3,2-c]chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65925 3_STAR CHEBI:65926 biolink:ChemicalSubstance fukanefuromarin F A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a methoxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). PMID:15467238|Reaxys:9971429 chebi.json 2,3-dihydro-7-methoxy-2R*,3R*-dimethyl-3-[4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl]-furo[3,2-c]coumarin|(2R*,3R*)-7-methoxy-2,3-dimethyl-3-[(3E)-4-methyl-5-(4-methylfuran-2-yl)pent-3-en-1-yl]-2,3-dihydro-4H-furo[3,2-c]chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65926 3_STAR CHEBI:65927 biolink:ChemicalSubstance fukanefuromarin G A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by methoxy group at position 7, methyl group at positions 2 and 3 (relatively trans configuration) and a 4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). PMID:15467238|Reaxys:9972526 chebi.json 2,3-dihydro-7-methoxy-2R*,3R*-dimethyl-2-[4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl]-furo[3,2-c]coumarin|(2R*,3R)-7-methoxy-2,3-dimethyl-2-[(3E)-4-methyl-5-(4-methylfuran-2-yl)pent-3-en-1-yl]-2,3-dihydro-4H-furo[3,2-c]chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65927 3_STAR CHEBI:65920 biolink:ChemicalSubstance fukanemarin B A hydroxycoumarin that is 4-hydroxycoumarin substituted by a methoxy group ar position 7 and a 1,2,6-trimethyl-7-(4-methyl-2-furyl)-hepta-2(E),5(E)-dienyl moiety at position 3. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). PMID:15467238|Reaxys:9956760 chebi.json 4-hydroxy-7-methoxy-3-[1,2,6-trimethyl-7-(4-methyl-2-furyl)-hepta-2(E),5(E)-dienyl]-coumarin|3-[(3E,6E)-3,7-dimethyl-8-(4-methylfuran-2-yl)octa-3,6-dien-2-yl]-4-hydroxy-7-methoxy-2H-chromen-2-one http://purl.obolibrary.org/obo/CHEBI_65920 3_STAR CHEBI:65921 biolink:ChemicalSubstance fukanefuromarin A A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-4(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). PMID:15043424|Reaxys:10216262 chebi.json (2R*,3S*)-2-[(4E)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-7-hydroxy-2,3-dimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-one|2,3-dihydro-7-hydroxy-2S*,3R*-dimethyl-2-[4,8-dimethyl-4(E),7-nonadien-6-onyl]furo[3,2-c]coumarin http://purl.obolibrary.org/obo/CHEBI_65921 3_STAR CHEBI:65922 biolink:ChemicalSubstance fukanefuromarin B A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-4(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). PMID:15043424|Reaxys:10216263 chebi.json 2,3-dihydro-7-hydroxy-2R*,3R*-dimethyl-2-[4,8-dimethyl-4-(E)-7-nonadien-6-onyl]-furo[3,2-c]coumarin|(2R*,3R*)-2-[(4E)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-7-hydroxy-2,3-dimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65922 3_STAR CHEBI:65923 biolink:ChemicalSubstance fukanefuromarin C A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-4(Z),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it inhibits production of nitric oxide (NO). PMID:15043424|Reaxys:10216261 chebi.json 2,3-dihydro-7-hydroxy-2S*,3R*-dimethyl-2-[4,8-dimethyl-4(Z),7-nonadien-6-only]furo[3,2-c]coumarin|(2R*,3S*)-2-[(4Z)-4,8-dimethyl-6-oxonona-4,7-dien-1-yl]-7-hydroxy-2,3-dimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65923 3_STAR CHEBI:65928 biolink:ChemicalSubstance (2R*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E)-7-nonadien-6-onyl]furo[3,2-c]coumarin A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively trans configuration) and a 4,8-dimethyl-3(E)-7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis, it exhibits inhibitory effect on the production of nitric oxide (NO). PMID:15043424 chebi.json (2R*,3R*)-2-[(3E)-4,8-dimethyl-6-oxonona-3,7-dien-1-yl]-7-hydroxy-2,3-dimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65928 3_STAR CHEBI:65929 biolink:ChemicalSubstance (2S*,3R*)-2,3-dihydro-7-hydroxy-2,3-dimethyl-2-[4,8-dimethyl-3(E),7-nonadien-6-onyl]-furo[3,2-c]coumarin A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a hydroxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4,8-dimethyl-3(E),7-nonadien-6-onyl moiety at position 2. Isolated from the roots of Ferula fukanensis and Ferula ferulioides, it exhibits inhibitory activity against production of nitric oxide (NO). PMID:15043424|PMID:11558588 chebi.json (2R*,3S*)-2-[(3E)-4,8-dimethyl-6-oxonona-3,7-dien-1-yl]-7-hydroxy-2,3-dimethyl-2,3-dihydro-4H-furo[3,2-c]chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65929 3_STAR CHEBI:65930 biolink:ChemicalSubstance (2S*,3R*)-2,3-dihydro-7-methoxy-2,3-dimethyl-2-[4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl]-furo[3,2-c]coumarin A furanocoumarin that is 2,3-dihydrofuro[3,2-c]coumarin substituted by a methoxy group at position 7, methyl groups at positions 2 and 3 (relatively cis configuration) and a 4-methyl-5-(4-methyl-2-furyl)-3(E)-pentenyl moiety at position 2. Isolated from the roots of Ferula fukanensis and Ferula ferulioides, it exhibits inhibitory activity against production of nitric oxide (NO). PMID:15467238|PMID:11558588 chebi.json (2R*,3S*)-7-methoxy-2,3-dimethyl-2-[(3E)-4-methyl-5-(4-methylfuran-2-yl)pent-3-en-1-yl]-2,3-dihydro-4H-furo[3,2-c]chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65930 3_STAR CHEBI:65935 biolink:ChemicalSubstance 19-(2-furyl)nonadeca-5,7-diynoic acid An acetylenic fatty acid that is nonadeca-5,7-diynoic acid substituted by a furan-2-yl group at position 19. Isolated from Polyalthia evecta, it exhibits anti-HSV-1 and antiplasmodial activity. Chemspider:9668964|PMID:16441071|Reaxys:18586861 chebi.json 19-(furan-2-yl)nonadeca-5,7-diynoic acid http://purl.obolibrary.org/obo/CHEBI_65935 3_STAR CHEBI:65936 biolink:ChemicalSubstance futokadsurin A A lignan that is tetrahydrofuran substituted by methyl groups at positions 3 and 4 (relatively trans configuration), a 3,4-dimethoxyphenyl moiety at position 5 (relatively trans to the methyl group at position 4) and a 4-hydroxy-3-methoxyphenyl group at position 2 (relatively cis to the methyl group at position 3). Isolated from the aerial parts of Piper futokadsura, it exhibits inhibitory activity against production of nitric oxide (NO). PMID:17764190|Reaxys:10123916|PMID:15635246 chebi.json rel-(7S,8S,7'R,8'S)-3,4,3'-trimethoxy-4'-hydroxy-7,7'-epoxylignan|4-[rel-(2R,3S,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran-2-yl]-2-methoxyphenol http://purl.obolibrary.org/obo/CHEBI_65936 3_STAR CHEBI:65937 biolink:ChemicalSubstance futokadsurin B A lignan that is tetrahydrofuran substituted by methyl groups at positions 3 and 4, a 3,4-dimethoxyphenyl group at position 5 and a 1,3-benzodioxol-5-yl moiety at position 2 (the 2S,3R,4R,5R stereoisomer). Isolated from the aerial parts of Piper futokadsura, it exhibits inhibitory activity against production of nitric oxide (NO). Reaxys:10102561|PMID:15635246 chebi.json 5-[(2S,3R,4R,5R)-5-(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran-2-yl]-1,3-benzodioxole|(7R,8R,7'S,8'R)-3',4'-methylenedioxy-3,4-dimethoxy-7,7'-epoxylignan http://purl.obolibrary.org/obo/CHEBI_65937 3_STAR CHEBI:65938 biolink:ChemicalSubstance futokadsurin C A lignan that is tetrahydrofuran substituted by methyl groups at positions 3 and 4, a 3,4-dimethoxyphenyl group at position 5 and a 1,3-benzodioxol-5-yl moiety at position 2 (the 2R,3R,4S,5S stereoisomer). Isolated from the aerial parts of Piper futokadsura, it exhibits inhibitory activity against production of nitric oxide (NO). Reaxys:10102564|PMID:15635246 chebi.json 5-[(2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran-2-yl]-1,3-benzodioxole|(7R,8R,7'S,8'S)-3',4'-dimethoxy-3,4-methylenedioxy-7,7'-epoxylignan http://purl.obolibrary.org/obo/CHEBI_65938 3_STAR CHEBI:65931 biolink:ChemicalSubstance fumimycin A member of the class of 1-benzofurans that is 1-benzofuran-2(3H)-one substituted by a propenyl group at position 4, hydroxy groups at positions 5 and 6, methyl group at position 3 and a [(2E)-3-carboxyprop-2-enoyl]nitrilo group at position 3. Isolated from the fermentation broth of Aspergillus fumisynnematus F746, it exhibits antibacterial activity. PMID:21031188|PMID:17523650|PMID:20024097|Reaxys:21037523|PMID:20859963|Chemspider:20557857 chebi.json (2E)-4-({(3R)-5,6-dihydroxy-3-methyl-2-oxo-4-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran-3-yl}amino)-4-oxobut-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_65931 3_STAR CHEBI:65932 biolink:ChemicalSubstance funalenone An organic tricyclic compound that is 1H-phenalen-1-one which is substituted by hydroxy groups at positions 3,4,7, and 9, by a methoxy group at position 2, and by a methyl group at position 6. It is a collagenase inhibitor produced by Aspergillus niger. PMID:15813183|PMID:17150233|PMID:21892239|PMID:21277986|Reaxys:8508660 chebi.json 3,4,7,9-tetrahydroxy-2-methoxy-6-methyl-1H-phenalen-1-one|8-deoxyxanthoherquein http://purl.obolibrary.org/obo/CHEBI_65932 3_STAR CHEBI:65933 biolink:ChemicalSubstance furanocandin A carbohydrate-containing antibiotic isolated from the fermentation broth of Trichothecium sp. It exhibits marked antifungal activity against the Candida species. PMID:8698646 chebi.json 2,4-dihydroxy-6-(hydroxymethyl)phenyl 4-O-{6-O-[(2E,4Z)-8-hydroxydeca-2,4-dienoyl]-beta-D-galactofuranosyl}-3-O-[(2E,4E,8E,10E)-7-hydroxyhexadeca-2,4,8,10-tetraenoyl]-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_65933 3_STAR CHEBI:65934 biolink:ChemicalSubstance furowanin B A hydroxyisoflavone that is 8,9-dihydro-4H-furo[2,3-h]chromen-4-one substituted by a hydroxy group at position 5, a 3,4-dihydroxyphenyl group at position 3, a 2-hydroxypropan-2-yl group at position 8 and a prenyl group at position 6. Isolated from Millettia pachycarpa, it exhibits anti-estrogenic activity. Reaxys:18586899|PMID:16441086 chebi.json 3-(3,4-dihydroxyphenyl)-5-hydroxy-8-(2-hydroxypropan-2-yl)-6-(3-methylbut-2-en-1-yl)-8,9-dihydro-4H-furo[2,3-h]chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65934 3_STAR CHEBI:65939 biolink:ChemicalSubstance fuzanin D A diol that is hepta-4,6-diene-2,3-diol substituted by a 3-methylpyridin-2-yl group at position 7 (the 2R,3S,4E,6E stereoisomer). It is isolated from the culture broth of Kitasatospora sp. IFM10917 and exhibits cytotoxicity against human colon carcinoma cells. CAS:1109227-91-9|Reaxys:18859417 chebi.json (2R,3S,4E,6E)-7-(3-methylpyridin-2-yl)hepta-4,6-diene-2,3-diol http://purl.obolibrary.org/obo/CHEBI_65939 3_STAR CHEBI:65940 biolink:ChemicalSubstance gaboroquinone A An anthraquinone that is anthracene-9,10-dione substituted by a 3-acetyl-4,6-dihydroxy-2-methoxyphenyl moiety at position 1, hydroxy groups at positions 4 and 5 and a hydroxymethyl group at position 2. Isolated from the roots of Bulbine frutescens, it exhibits antiplasmodial and antitrypanosomal activities. PMID:12193014|Reaxys:11164249 chebi.json 1-(3-acetyl-4,6-dihydroxy-2-methoxyphenyl)-4,5-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione http://purl.obolibrary.org/obo/CHEBI_65940 3_STAR CHEBI:65941 biolink:ChemicalSubstance 6-O-galloyl-beta-D-glucose A a galloyl beta-D-glucose compound having a galloyl group at the 6-position. Isolated from the leaves of Sapium sebiferum, it exhibits antihypertensive activity. Reaxys:3068868|PMID:7513748 chebi.json 6-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_65941 3_STAR CHEBI:65946 biolink:ChemicalSubstance ganoderone C A tetracyclic triterpenoid that is 5alpha-lanosta-8-ene with an epoxy group across positions 24 and 25, a hydroxy group at position 26 and oxo groups at positions 3 and 7. Isolated from the fruiting bodies of Ganoderma pfeifferi, it exhibits antiviral activity against influenza A virus. PMID:16378363|Reaxys:15775258 chebi.json 26-hydroxy-24,25-epoxylanost-8-ene-3,7-dione|5alpha-lanosta-8-ene-24,25-epoxy-26-hydroxy-3,7-dione http://purl.obolibrary.org/obo/CHEBI_65946 3_STAR CHEBI:65947 biolink:ChemicalSubstance garciniaxanthone F An organic heteropentacyclic compound that is 6H-furo[3,2-c]xanthen-6-one substituted by hydroxy groups at positions 7 and 10, 2-methoxypropan-2-yl group at position 2 and a 2-methylbut-3-en-2-yl group at position 8. Isolated from the woods of Garcinia subelliptica, it exhibits antioxidant activity. Reaxys:7664376 chebi.json 7,10-dihydroxy-2-(2-methoxypropan-2-yl)-8-(2-methylbut-3-en-2-yl)-6H-furo[3,2-c]xanthen-6-one http://purl.obolibrary.org/obo/CHEBI_65947 3_STAR CHEBI:65948 biolink:ChemicalSubstance garciniaxanthone G An organic heteropentacyclic compound that is 6H-furo[3,2-c]xanthen-6-one substituted by hydroxy groups at positions 7 and 10 and a 2-methylbut-3-en-2-yl group at position 8. Isolated from the woods of Garcinia subelliptica, it exhibits antioxidant activity. Reaxys:7657890 chebi.json 7,10-dihydroxy-8-(2-methylbut-3-en-2-yl)-6H-furo[3,2-c]xanthen-6-one http://purl.obolibrary.org/obo/CHEBI_65948 3_STAR CHEBI:65949 biolink:ChemicalSubstance garciniaxanthone H A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 2, 5 and 8, methoxy group at position 1 and a 2-methylbut-3-en-2-yl group at position 4. Isolated from the woods of Garcinia subelliptica, it exhibits antioxidant activity. Reaxys:7661365 chebi.json 2,5,8-trihydroxy-1-methoxy-4-(2-methylbut-3-en-2-yl)-9H-xanthen-9-one http://purl.obolibrary.org/obo/CHEBI_65949 3_STAR CHEBI:65942 biolink:ChemicalSubstance 5-galloylquercetin-3-O-alpha-L-arabinofuranoside A quercetin O-glucoside in which quercetin is attached to a alpha-L-arabinofuranosyl group at position 3 via a glycosidic linkage while the hydroxy group at position 5 is replaced by a galloyl group. Isolated from the young leaves of Calycolpus warscewiczianus, it exhibits activity against a chloroquine-resistant strain of Plasmodium falciparum. PMID:16724851 chebi.json 2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-5-(3,4,5-trihydroxybenzoyl)-4H-chromen-3-yl alpha-L-arabinofuranoside http://purl.obolibrary.org/obo/CHEBI_65942 3_STAR CHEBI:65943 biolink:ChemicalSubstance 7-O-galloyltricetiflavan A gallate ester obtained by the formal condensation of gallic acid with the hydroxy group at position 7 of 3',4',5',5,7-pentahydroxyflavan. Isolated from the leaves of Pithecellobium clypearia, it exhibits antiviral activity. PMID:16724853|Reaxys:15869677 chebi.json tricetiflavan-7-O-gallate|5-hydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-7-yl 3,4,5-trihydroxybenzoate http://purl.obolibrary.org/obo/CHEBI_65943 3_STAR CHEBI:65944 biolink:ChemicalSubstance 7,4'-di-O-galloyltricetiflavan A diester obtained by the formal condensation of gallic acid with the hydroxy groups at positions 7 and 4' of 3',4',5',5,7-pentahydroxyflavan. Isolated from the leaves of Pithecellobium clypearia, it exhibits antiviral activity. Reaxys:15869678|PMID:16724853 chebi.json tricetiflavan-7,4'-di-O-gallate|2,6-dihydroxy-4-{5-hydroxy-7-[(3,4,5-trihydroxybenzoyl)oxy]-3,4-dihydro-2H-chromen-2-yl}phenyl 3,4,5-trihydroxybenzoate http://purl.obolibrary.org/obo/CHEBI_65944 3_STAR CHEBI:65945 biolink:ChemicalSubstance ganoderone A A tetracyclic triterpenoid that is 5alpha-lanosta-8,24-diene substituted by a hydroxy group at position 26 and oxo groups at positions 3 and 7. Isolated from the fruiting bodies of Ganoderma pfeifferi, it exhibits against herpes simplex virus. Reaxys:15775259|PMID:16378363 chebi.json (24E)-26-hydroxylanosta-8,24-diene-3,7-dione|5alpha-lanosta-8,24-diene-26-hydroxy-3,7-dione http://purl.obolibrary.org/obo/CHEBI_65945 3_STAR CHEBI:65950 biolink:ChemicalSubstance gaudichaudiic acid F An organic heteroheptacyclic compound isolated from the bark of Indonesian Garcinia gaudichaudii and exhibits cytotoxic activity. Reaxys:8750194|PMID:11101460 chebi.json (2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7,11,12,12a,13-decahydro-3H,8bH-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_65950 3_STAR CHEBI:65951 biolink:ChemicalSubstance gaudichaudiic acid G An organic heteroheptacyclic compound isolated from the bark of Indonesian Garcinia gaudichaudii and exhibits cytotoxic activity. Reaxys:8747845|PMID:11101460 chebi.json (2E)-4-[(1S,3aR,5R,16aR)-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,7-tetrahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_65951 3_STAR CHEBI:65952 biolink:ChemicalSubstance gaudichaudiic acid H An organic heteroheptacyclic compound isolated from the bark of Indonesian Garcinia gaudichaudii and exhibits cytotoxic activity. Reaxys:8750131|PMID:11101460 chebi.json (2E)-4-[(1S,3aR,5R,16aR)-8-hydroxy-6-methoxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_65952 3_STAR CHEBI:90906 biolink:ChemicalSubstance protodeoxyviolaceinic acid A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 and 5 by indol-3-yl groups. PMID:18171677|PMID:21779844|Reaxys:11281440|MetaCyc:CPD-14320 chebi.json 3,5-di(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_90906 3_STAR CHEBI:90907 biolink:ChemicalSubstance protodeoxyviolaceinate A monocarboxylic acid anion that is the conjugate base of protodeoxyviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. MetaCyc:CPD-14320|PMID:21779844 chebi.json protodeoxyviolaceinate|3,5-di(1H-indol-3-yl)-1H-pyrrole-2-carboxylate http://purl.obolibrary.org/obo/CHEBI_90907 3_STAR CHEBI:90908 biolink:ChemicalSubstance rolapitant An azaspiro compound that is 1,7-diazaspiro[4.5]decan-2-one carrying additional phenyl and 1-{[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl substituents at position 8. Used (in the form of the hydrochloride hydrate) for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy. PMID:26272769|PMID:26694923|PMID:26699406|CAS:552292-08-7|PMID:24874107|PMID:26442475|Reaxys:15570068|PMID:26467681|PMID:25940030|Drug_Central:5027|PMID:26272768|PMID:26366937|KEGG:D10742|PMID:25755107|CAS:552292-08-7|PMID:22497992|PMID:25856052 chebi.json rolapitant|SCH 619734|SCH-619734|(5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one http://purl.obolibrary.org/obo/CHEBI_90908 3_STAR CHEBI:90909 biolink:ChemicalSubstance deoxyviolaceinic acid A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 3-hydroxyindol-3-yl group at at position 5 by an indol-3-yl group. MetaCyc:CPD-14323|PMID:21779844 chebi.json 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_90909 3_STAR CHEBI:65957 biolink:ChemicalSubstance gelsemiol-6'-trans-caffeoyl-1-glucoside A iridoid monoterpenoid isolated from the aerial parts of Verbena litoralis and shown to possess stimulating effects on nerve growth factor. Reaxys:9601910|PMID:12951458 chebi.json [(3R,3aS,4R,5S,6aS)-3-(hydroxymethyl)-5-methyl-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl]methyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_65957 3_STAR CHEBI:90913 biolink:ChemicalSubstance rolapitant(1+) An organic cation obtained by protonation of the secondary amino group of rolapitant. chebi.json rolapitant cation|(5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-2-oxo-8-phenyl-1,7-diazaspiro[4.5]decan-7-ium http://purl.obolibrary.org/obo/CHEBI_90913 3_STAR CHEBI:65958 biolink:ChemicalSubstance 3-geranyl-2,4,6-trihydroxybenzophenone A member of the class of benzophenones that is benzophenone substituted by a geranyl group at position 3 and hydroxy groups at positions 2, 4 and 6 respectively. Isolated from Leontonyx and Garcinia vieillardii, it exhibits a significant antileishmanial activity. Reaxys:3007380|PMID:17826924|PMID:16562847|PMID:11842327 chebi.json {3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-2,4,6-trihydroxyphenyl}(phenyl)methanone http://purl.obolibrary.org/obo/CHEBI_65958 3_STAR CHEBI:302765 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_302765 CHEBI:90914 biolink:ChemicalSubstance uridine triacetate An acetate ester that is uracil in which the three hydroxy hydrogens are replaced by acetate group. A prodrug for uridine, it is used for the treatment of hereditary orotic aciduria and for management of fluorouracil toxicity. KEGG:D09985|CAS:4105-38-8|PMID:17011205|PMID:16187114|Reaxys:97869|PMID:14642447|PMID:16330000|PMID:23648515|CAS:4105-38-8|PMID:26535019|PMID:21930638 chebi.json Triacetyluridine|PN 401|RG 2133|2',3',5'-tri-O-acetyluridine|Uridine 2',3',5'-triacetate|PN401|uridine triacetate|2',3',5'-Triacetyluridine|Xuriden|Tri-O-acetyluridine http://purl.obolibrary.org/obo/CHEBI_90914 3_STAR CHEBI:65959 biolink:ChemicalSubstance geumonoid A triterpenoid isolated from whole plants of Geum japonicum and has been shown to exhibit inhibitory activity against HIV-1 protease. PMID:10993241 chebi.json (1R,4aR,8aS)-6-{[(1R,2S,4aR,6R,7R,8aR)-2-acetyl-6,7-dihydroxy-1,5,5,8a-tetramethyldecahydronaphthalen-2-yl]methyl}-1,4a-dimethyl-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_65959 3_STAR CHEBI:90915 biolink:ChemicalSubstance aurachin Compounds comprising a class of isoprenoid quinoline alkaloids originally isolated from the myxobacterium Stigmatella aurantiaca together with their semi-synthetic and fully synthetic analogues. They are divided into A-type or C-type aurachins according to the position of the farnesyl residue either at C4 or C3 of the quinoline core, respectively. PMID:3106289 chebi.json aurachins http://purl.obolibrary.org/obo/CHEBI_90915 3_STAR CHEBI:90916 biolink:ChemicalSubstance FPAWFTKLYPRT A twelve-membered polypeptide comprising the sequence Phe-Pro-Ala-Trp-Phe-Thr-Lys-Leu-Tyr-Pro-Arg-Thr. PMID:26405107 chebi.json L-phenylalanyl-L-prolyl-L-alanyl-L-tryptophyl-L-phenylalanyl-L-threonyl-L-lysyl-L-leucyl-L-tyrosyl-L-prolyl-L-arginyl-L-threonine|L-Phe-L-Pro-L-Ala-L-Trp-L-Phe-L-Thr-L-Lys-L-Leu-L-Tyr-L-Pro-L-Arg-L-Thr|Phe-Pro-Ala-Trp-Phe-Thr-Lys-Leu-Tyr-Pro-Arg-Thr http://purl.obolibrary.org/obo/CHEBI_90916 3_STAR CHEBI:65953 biolink:ChemicalSubstance gaudichaudiic acid I An organic heteroheptacyclic compound isolated from the bark of Indonesian Garcinia gaudichaudii and exhibits cytotoxic activity. Reaxys:8749911|PMID:11101460 chebi.json (2E)-4-[(1S,3aR,5R,16aR)-6-ethoxy-8-hydroxy-3,3,10,13,13-pentamethyl-15-(2-methylbut-3-en-2-yl)-7,17-dioxo-3a,4,5,6,6a,7-hexahydro-3H,13H-1,5-methanofuro[3,4-g]isochromeno[4,3-b]xanthen-1-yl]-2-methylbut-2-enoic acid http://purl.obolibrary.org/obo/CHEBI_65953 3_STAR CHEBI:90910 biolink:ChemicalSubstance deoxyviolaceinate A monocarboxylic acid anion that is the conjugate base of deoxyviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. PMID:21779844|MetaCyc:CPD-14323 chebi.json 3-(2-hydroxy-1H-indol-3-yl)-5-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate|deoxyviolaceinate http://purl.obolibrary.org/obo/CHEBI_90910 3_STAR CHEBI:65954 biolink:ChemicalSubstance gedunin A pentacyclic triterpenoid natural product found particularly in Azadirachta indica and Cedrela odorata. PMID:17450509|PMID:22709475|PMID:19551731|CAS:2753-30-2|PMID:16134059|PMID:16989525|AGR:IND43669361|PMID:23355466|PMID:10820113|Reaxys:1444894|PMID:21787243|PMID:16154614|PMID:19955938|PMID:21381696|PMID:19962286|PMID:10661881|PMID:21523424|PMID:18816111|PMID:9134742 chebi.json Oxireno(c)phenanthro(1,2-d)pyran-3,8(3aH,4bH)-dione, 5-(acetyloxy)-1-(3-furanyl)-1,5,6,6a,7,10a,10b,11,12,12a-decahydro-4b,7,7,10a,12a-pentamethyl-,(1S,3aS,4aR,4bS,5R,6aR,10aR,10bR,12aS)-|(-)-gedunin|D-homo-24-nor-17-oxachola-1,20,22-triene-3,16-dione, 7-(acetyloxy)-14,15:21,23-diepoxy-4,4,8-trimethyl-(5alpha,7alpha,13alpha,14beta,15beta,17aalpha)-|gedunine|NSC 113497|(4aR,6R,6aS,6bR,7aS,10R,10aS,12aR,12bR)-10-(3-furyl)-4,4,6a,10a,12b-pentamethyl-3,8-dioxo-3,4,4a,5,6,6a,7a,8,10,10a,11,12,12a,12b-tetradecahydrooxireno[c]phenanthro[1,2-d]pyran-6-yl acetate http://purl.obolibrary.org/obo/CHEBI_65954 3_STAR CHEBI:90911 biolink:ChemicalSubstance rolapitant hydrochloride hydrate A hydrate that is the monohydrate form of rolapitant hydrochloride. Used for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy. CAS:914462-92-3|Reaxys:15570190|KEGG:D08988|PMID:26467681|CAS:914462-92-3|PMID:26535019 chebi.json rolapitant.HCl.H2O|SCH619734|Rolapitant hydrochloride|(5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-2-oxo-8-phenyl-1,7-diazaspiro[4.5]decan-7-ium chloride--water (1/1)|Sch 619734|rolapitant monohydrochloride monohydrate|Rolapitant HCl|VARUBI|(5S,8S)-8-(((1R)-1-(3,5-bis(Trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4.5)decan-2-one monohydrochloride monohydrate|(5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one hydrochloride--water (1/1) http://purl.obolibrary.org/obo/CHEBI_90911 3_STAR CHEBI:65955 biolink:ChemicalSubstance gelomulide K An abietane diterpenoid that is ent-abieta-2(3),13(15)-diene-16,12-olide substituted by a 1beta-acetoxy group and a beta-epoxy group across positions 8 and 14. Isolated from the leaves of Gelonium aequoreum, it exhibits moderate cytotoxicity against lung (A549), breast (MDAMB-231 and MCF7), and liver (HepG2) cancer cell lines. PMID:17714747|PMID:21641992|Reaxys:15836693 chebi.json (1beta,5beta,9beta,10alpha,12beta,14beta)-16-oxo-8,14:12,16-diepoxyabieta-2,13(15)-dien-1-yl acetate|1beta-acetoxy-8beta,14beta-epoxy-ent-abieta-2(3),13(15)-diene-16,12-olide http://purl.obolibrary.org/obo/CHEBI_65955 3_STAR CHEBI:90912 biolink:ChemicalSubstance rolapitant hydrochloride (anhydrous) A hydrochloride obtained by combining irinotecan with one molar equivalent of hydrochloric acid. Used (in the form of the hydrate) for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy. CAS:858102-79-1|PMID:26467681|Reaxys:15570171|PMID:26535019 chebi.json (5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-2-oxo-8-phenyl-1,7-diazaspiro[4.5]decan-7-ium chloride|SCH619734|Rolapitant hydrochloride anhydrous|(5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one hydrochloride|rolapitant monohydrochloride|SCH 619734|rolapitant.HCl|rolapitant hydrochloride http://purl.obolibrary.org/obo/CHEBI_90912 3_STAR CHEBI:65956 biolink:ChemicalSubstance gelomulide M An abietane diterpenoid that is ent-abieta-2(3),13(15)-diene-16,12-olide substituted by beta-acetoxy groups at positions 1 and 7 and a beta-epoxy group across positions 8 and 14. Isolated from the leaves of Gelonium aequoreum, it exhibits moderate cytotoxicity against lung (A549), breast (MDAMB-231 and MCF7), and liver (HepG2) cancer cell lines. Reaxys:15836698|PMID:17714747 chebi.json (1beta,5beta,7beta,9beta,10alpha,12beta,14beta)-16-oxo-8,14:12,16-diepoxyabieta-2,13(15)-diene-1,7-diyl diacetate|1beta,7beta-diacetoxy-8beta,14beta-epoxy-ent-abieta-2(3),13(15)-diene-16,12-olide http://purl.obolibrary.org/obo/CHEBI_65956 3_STAR CHEBI:65960 biolink:ChemicalSubstance gibberosin K A diterpenoid of the xeniaphyllane type isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity. PMID:17917291|Reaxys:11209790|Chemspider:23076670 chebi.json (2E)-1-[(1R*,5E,9S*,10S*)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]-4-hydroxy-4-methylpent-2-en-1-one|(1S*,9R*,11S*,4E,13E)-15-hydroxyxeniphylla-4,8(19),13-trien-12 one http://purl.obolibrary.org/obo/CHEBI_65960 3_STAR CHEBI:65961 biolink:ChemicalSubstance gibberosin L A diterpenoid of the xeniaphyllane type isolated from Sinularia gibberosa and has been shown to exhibit antineoplastic activity. Chemspider:23076671|PMID:17917291|Reaxys:11209791 chebi.json 1-[(1R*,5E,9S*,10S*)-6,10-dimethyl-2-methylidenebicyclo[7.2.0]undec-5-en-10-yl]-4-methylpent-3-en-1-one|(1S*,9R*,11S*,4E)-xeniaphylla-4,8(19),14-trien-12-one http://purl.obolibrary.org/obo/CHEBI_65961 3_STAR CHEBI:65962 biolink:ChemicalSubstance gigantetronenin A member of the class of oxolanes that is tetrahydrofuran substituted by a 6-hydroxy-7-(5-methyl-2-oxo-2,5-dihydrofuran-3-yl)heptyl group at position 2 and a (8Z)-1,4,5-trihydroxyhenicos-8-en-1-yl group at position 5. Isolated from Goniothalamus giganteus, it exhibits cytotoxic activity. PMID:7673936|Reaxys:6832033|PMID:8778244|CAS:145403-31-2|PMID:1479382|PMID:8021648|PMID:19319860|PMID:11783580 chebi.json 3-(2-hydroxy-7-{5-[(8Z)-1,4,5-trihydroxyhenicos-8-en-1-yl]tetrahydrofuran-2-yl}heptyl)-5-methylfuran-2(5H)-one http://purl.obolibrary.org/obo/CHEBI_65962 3_STAR CHEBI:65963 biolink:ChemicalSubstance gigantrionenin A member of the class of oxolanes that is tetrahydrofuran substituted by a 7-[5-methyl-2-oxo-2,5-dihydrofuran-3-yl]heptyl at position 2 and a 1,4,5-trihydroxyhenicos-8-en-1-yl group at position 5. Isolated from Goniothalamus giganteus, it exhibits cytotoxic activity. Reaxys:7630200|PMID:1479382 chebi.json (5S)-5-methyl-3-(7-{(2R,5S)-5-[(1S,4R,5R,8Z)-1,4,5-trihydroxyhenicos-8-en-1-yl]tetrahydrofuran-2-yl}heptyl)furan-2(5H)-one http://purl.obolibrary.org/obo/CHEBI_65963 3_STAR CHEBI:65968 biolink:ChemicalSubstance glioperazine B A member of the class of 2,5-diketopiperazines with an indole substituent. It is a microbial metabolite isolated from the mycelia of a liquid fermentation culture of the fungus, Bionectria byssicola and has been shown to exhibit antibacterial activity against Staphylococcus aureus. Reaxys:11195587|PMID:17690474|Chemspider:10480064 chebi.json (3S,6S)-3-[(1R)-1-hydroxyethyl]-6-(1H-indol-3-ylmethyl)-6-methoxy-3-(methylsulfanyl)piperazine-2,5-dione http://purl.obolibrary.org/obo/CHEBI_65968 3_STAR CHEBI:90902 biolink:ChemicalSubstance 4-hydroxyprotoasukamycin A tertiary alcohol that is protoasukamycin in which the 2,4-disubstituted phenol moiety has been oxidised to give the corresponding 2,4-disubstituted 4-hydroxycyclohexa-2,5-dienone. It is a precursor in the biosynthesis of asukamycin. PMID:23890006|Reaxys:21442510|MetaCyc:CPD-18766 chebi.json (2E,4E,6E)-7-cyclohexyl-N-[(3R)-3-hydroxy-3-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}-6-oxocyclohexa-1,4-dien-1-yl]hepta-2,4,6-trienamide|4-hydroxyprotoasukamycin http://purl.obolibrary.org/obo/CHEBI_90902 3_STAR CHEBI:65969 biolink:ChemicalSubstance sodium globostellatate A An organic sodium salt that is the monosodium of globostellatic acid A. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells. PMID:8778241 chebi.json sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(4E,6E,8E)-10-hydroxy-6,10-dimethyl-3-oxoundeca-4,6,8-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate http://purl.obolibrary.org/obo/CHEBI_65969 3_STAR CHEBI:90903 biolink:ChemicalSubstance asperlicin E A member of the class of asperlicins that is asperlicin C in which the lactam nitrogen of the benzodiazepineone moiety has undergone addition to the 2-position of the 2-3 double bond of the indole moeity, and in which the hydrogen at the 3-position of the indole moiety has been replaced by a hydroxy group. It is a cholecystokinin antagonist. CAS:93413-05-9|PMID:3417561|PMID:25180619|PMID:23030663|PMID:3417562|PMID:16323862|Reaxys:23125539|MetaCyc:CPD-17023 chebi.json (+)-asperlicin E|(12aR,17bS,18aS)-17b-hydroxy-13,17b,18,18a-tetrahydro-11H-indolo[3',2':4,5]pyrrolo[2,1-c]quinazolino[3,2-a][1,4]benzodiazepine-5,11(12aH)-dione|asperlicin E http://purl.obolibrary.org/obo/CHEBI_90903 3_STAR CHEBI:90904 biolink:ChemicalSubstance asperlicin C A member of the class of asperlicins in which the core 6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione skeleton is substituted at the 7 pro-S position by an indol-3-ylmethyl group. It is a cholecystokinin antagonist. PMID:3417561|Reaxys:8016853|CAS:93413-06-0|PMID:20066279|PMID:19137180|PMID:23030663|PMID:3417562|MetaCyc:CPD-17021 chebi.json (7S)-7-(1H-indol-3-ylmethyl)-6,7-dihydroquinazolino[3,2-a][1,4]benzodiazepine-5,13-dione|(-)-asperlicin C|asperlicin C http://purl.obolibrary.org/obo/CHEBI_90904 3_STAR CHEBI:90905 biolink:ChemicalSubstance DEL-22379 An oxindole that is 5-amino-oxindole in which the 5-amino group has undergone formal condensation with the carboxy group of 3-(piperidin-1-yl)propanoic acid to give the corresponding carboxamide and in which the hydrogens at position 3 have been replaced by a (5-methoxy-1H-indol-3-yl)methylene group (Z configuration). It is an inhibitor of extracellular signal-regulated kinase (ERK) dimerisation. Reaxys:18638308|PMID:26267534 chebi.json N-{(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-3-(piperidin-1-yl)propionamide|N-{(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylene]-2-oxo-2,3-dihydro-1H-indol-5-yl}-3-(piperidin-1-yl)propanamide|DEL22379 http://purl.obolibrary.org/obo/CHEBI_90905 3_STAR CHEBI:65964 biolink:ChemicalSubstance gilvusmycin An antibiotic isolated from the culture broth of Streptomyces sp. QM16 with potent cytotoxic activity against the human tumor cells. PMID:10348041|Reaxys:8382539 chebi.json 6-({6-[(6-acetyl-5-hydroxy-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-5-hydroxy-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3-methyl-4,4a,5,6-tetrahydrocyclopropa[c]pyrrolo[3,2-e]indol-8(1H)-one http://purl.obolibrary.org/obo/CHEBI_65964 3_STAR CHEBI:65965 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_65965 CHEBI:90900 biolink:ChemicalSubstance violaceinate A monocarboxylic acid anion that is the conjugate base of violaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. MetaCyc:CPD-14324|PMID:21779844 chebi.json violaceinate http://purl.obolibrary.org/obo/CHEBI_90900 3_STAR CHEBI:65966 biolink:ChemicalSubstance girolline PMID:11754618 chebi.json (alpha-S)-2-Amino-alpha-((1S)-2-amino-1-chloroethyl)imidazole-4-methanol http://purl.obolibrary.org/obo/CHEBI_65966 2_STAR CHEBI:65967 biolink:ChemicalSubstance glionitrin A A pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring. It is an antibiotic isolated from the microbial strains Sphingomonas and Aspergillus fumigatus, and exhibits cytotoxic activity against four human cancer cell lines: HCT-116, A549, AGS, and DU145. PMID:22947415|Reaxys:19154490|PMID:19159274|CAS:1116153-15-1 chebi.json (3S,10aS)-3-(hydroxymethyl)-2-methyl-7-nitro-2,3-dihydro-10H-3,10a-epidithiopyrazino[1,2-a]indole-1,4-dione http://purl.obolibrary.org/obo/CHEBI_65967 3_STAR CHEBI:90901 biolink:ChemicalSubstance protoasukamycin A polyketide that is (all-E)-7-(3-amino-4-hydroxyphenyl)hepta-2,4,6-trienoic acid in which the amino group has been acylated by an (all-E)-7-cyclohexylhepta-2,4,6-trienoyl group and in which the carboxy group has undergone formal condensation with the amino group of 2-amino-3-hydroxycyclopent-2-en-1-one to give the corresponding carboxamide. Protoasukamycin is an intermediate in the biosynthesis of asukamycin. PMID:15038738|PMID:23890006|MetaCyc:CPD-18765|PMID:23100742|Reaxys:21442509|PMID:20522559 chebi.json (2E,4E,6E)-7-cyclohexyl-N-(2-hydroxy-5-{(1E,3E,5E)-7-[(2-hydroxy-5-oxocyclopent-1-en-1-yl)amino]-7-oxohepta-1,3,5-trien-1-yl}phenyl)hepta-2,4,6-trienamide|protoasukamycin http://purl.obolibrary.org/obo/CHEBI_90901 3_STAR CHEBI:65971 biolink:ChemicalSubstance sodium globostellatate C An organic sodium salt that is the monosodium salt of globostellatic acid C. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells. PMID:8778241|Chemspider:10476143 chebi.json sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(3E,5E,7E)-10-hydroxy-9-methoxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate http://purl.obolibrary.org/obo/CHEBI_65971 3_STAR CHEBI:65972 biolink:ChemicalSubstance sodium globostellatate D An organic sodium salt that is the monosodium salt of globostellatic acid D. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells. PMID:8778241|Chemspider:10476144 chebi.json sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-hydroxy-3-[(3E,5E,7E)-10-hydroxy-9-methoxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate http://purl.obolibrary.org/obo/CHEBI_65972 3_STAR CHEBI:65973 biolink:ChemicalSubstance glochierioside A A triterpenoid saponin that is 3beta,16beta,28-trihydroxyolean-12-ene substituted by a beta-benzoyloxy group at position 22 and a 3-O-(beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl group at position 3 via a glycosidic linkage. Isolated from Glochidion eriocarpum, it exhibits cytotoxicity against human cancer cell lines. Reaxys:19204940|PMID:19122328 chebi.json (3beta,16beta,22beta)-3-{[3-O-(beta-D-glucopyranosyl)-alpha-L-arabinopyranosyl]oxy}-16,28-dihydroxyolean-12-en-22-yl benzoate|22beta-benzoyloxy-3beta,16beta,28-trihydroxyolean-12-ene 3-O-[beta-D-glucopyranosyl-(1->3)-alpha-L-arabinopyranoside] http://purl.obolibrary.org/obo/CHEBI_65973 3_STAR CHEBI:65974 biolink:ChemicalSubstance glochierioside B A triterpenoid saponin that is 3beta,16beta,28-trihydroxyolean-12-ene substituted by a beta-benzoyloxy group at position 22 and a 3-O-(beta-D-glucopyranosyl)-beta-D-xylopyranosyl group at position 3 via a glycosidic linkage. Isolated from Glochidion eriocarpum, it exhibits cytotoxicity against human cancer cell lines. PMID:19122328|Reaxys:19204939 chebi.json (3beta,16beta,22beta)-3-{[3-O-(beta-D-glucopyranosyl)-beta-D-xylopyranosyl]oxy}-16,28-dihydroxyolean-12-en-22-yl benzoate|22beta-benzoyloxy-3beta,16beta,28-trihydroxyolean-12-ene 3-O-[beta-D-glucopyranosyl-(1->3)-beta-D-xylopyranoside] http://purl.obolibrary.org/obo/CHEBI_65974 3_STAR CHEBI:90928 biolink:ChemicalSubstance Prezcobix A two-drug mixture containing darunavir, a protease inhibitor, and the pharmacokinetic enhancing or boosting agent cobicistat, that is and is used for the treatment of HIV-1 infection. PMCID:PMC4357349|PMID:25896480|PMID:26629284|PMID:26566368 chebi.json Darunavir / Cobicistat|Cobicistat / darunavir|Cobicistat and darunavir|Cobicistat mixture with darunavir http://purl.obolibrary.org/obo/CHEBI_90928 3_STAR CHEBI:90929 biolink:ChemicalSubstance lesinurad A member of the class of triazoles that is [(3-bromo-1,2,4-triazol-5-yl)sulfanyl]acetic acid substituted at position 1 of the triazole ring by a 4-cyclopropylnaphthalen-1-yl group. Used for treatment of gout. Wikipedia:Lesinurad|Drug_Central:5075|PMID:26742777|KEGG:D09921|PMID:25603039|PMID:24509406|CAS:878672-00-5|PMID:24703353|Reaxys:12932464|PMID:26165106|PMID:26073200|CAS:878672-00-5|PMID:26170627 chebi.json RDEA594|RDEA 594|{[5-bromo-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid|lesinurad|Zurampic http://purl.obolibrary.org/obo/CHEBI_90929 3_STAR CHEBI:65970 biolink:ChemicalSubstance sodium globostellatate B An organic sodium salt that is the monosodium salt of globostellatic acid B. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells. PMID:8778241 chebi.json sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(3E,5E,8E)-10-hydroxy-7-methoxy-6,10-dimethylundeca-3,5,8-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate http://purl.obolibrary.org/obo/CHEBI_65970 3_STAR CHEBI:65979 biolink:ChemicalSubstance graminone B A lignan that is tetrahydro-1H,3H-furo[3,4-c]furan-1-one substituted by a 3-hydroxy-4,5-dimethoxyphenyl at position 3 and a 3-hydroxy-4,5-dimethoxyphenyl group at position 5. Isolated from the rhizomes of Imperata cylindrica, it exhibits vasodilative activity. PMID:7714541|Reaxys:22818843 chebi.json (3R,3aS,6R,6aR)-3-(3-hydroxy-4,5-dimethoxyphenyl)-6-(3-hydroxy-5-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one http://purl.obolibrary.org/obo/CHEBI_65979 3_STAR CHEBI:90935 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_90935 CHEBI:90936 biolink:ChemicalSubstance alectinib An organic heterotetracyclic compound that is 6,6-dimethyl-5,6-dihydro-11H-benzo[b]carbazol-11-one carrying additional cyano, 4-(morpholin-4-yl)piperidin-1-yl and ethyl substituents at positions 3, 8 and 9 respectively. Used (as the hydrochloride salt) for the treatment of patients with anaplastic lymphoma kinase-positive, metastatic non-small cell lung cancer. PMID:26752591|PMID:26739884|PMID:25876560|Wikipedia:Alectinib|LINCS:LSM-1202|CAS:1256580-46-7|PMID:25502629|PMID:25398579|PMID:26682573|KEGG:D10542|PMID:26751586|PMID:24887559|PMID:26487585|PMID:25228534|PMID:25678258|PMID:25428710|PDBeChem:EMH|Drug_Central:4937|PMID:25556163|PMID:24736079|PMID:25736571|Reaxys:22302431|CAS:1256580-46-7|PMID:25205428|PMID:26464158|PMID:25349307|PMID:26753004|PMID:26579422|PMID:25526238 chebi.json AF 802|AF-802|CH 5424802|CH5424802|alectinib|9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile http://purl.obolibrary.org/obo/CHEBI_90936 3_STAR CHEBI:90937 biolink:ChemicalSubstance alectinib(1+) An organic cation obtained by protonation of alectinib. chebi.json alectinib cation http://purl.obolibrary.org/obo/CHEBI_90937 3_STAR CHEBI:90938 biolink:ChemicalSubstance DASKALRSSGMP A twelve-membered polypeptide comprising the sequence Asp-Ala-Ser-Lys-Ala-Lys-Arg-Ser-Ser-Gly-Met-Pro. PMID:26405107 chebi.json L-Asp-L-Ala-L-Ser-L-Lys-L-Ala-L-Lys-L-Arg-L-Ser-L-Ser-L-Gly-L-Met-L-Pro|L-alpha-aspartyl-L-alanyl-L-seryl-L-lysyl-L-alanyl-L-lysyl-L-arginyl-L-seryl-L-serylglycyl-L-methionyl-L-proline|Asp-Ala-Ser-Lys-Ala-Lys-Arg-Ser-Ser-Gly-Met-Pro http://purl.obolibrary.org/obo/CHEBI_90938 3_STAR CHEBI:65975 biolink:ChemicalSubstance glomosporin A cyclodepsipeptide consisting of a 3,4-dihydroxy-4-methylhexadecanoyl group attached to the amino terminus of the linear heptapeptide Ser-D-Ala-Asp-Asn-Asn-Ser-D-allo-Thr which is cyclised head-to-tail via the 3-hydroxy group on the hexadecanoyl chain. It is an antifungal drug isolated from the barley solid culture of the fungus Glomospora sp. Reaxys:8672918|PMID:10966075|PMID:10908117 chebi.json 2-[(18R)-9,12-bis(2-amino-2-oxoethyl)-3-[(1R)-1-hydroxyethyl]-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-15-yl]acetic acid|[(3R,18R)-9,12-bis(2-amino-2-oxoethyl)-3-[(1R)-1-hydroxyethyl]-6,21-bis(hydroxymethyl)-25-(2-hydroxytetradecan-2-yl)-18-methyl-2,5,8,11,14,17,20,23-octaoxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-15-yl]acetic acid http://purl.obolibrary.org/obo/CHEBI_65975 3_STAR CHEBI:90931 biolink:ChemicalSubstance NCS172285 A 3beta-hydroxy steroid that is androst-5-en-3beta-ol in which the 17beta-hydrogen has been replaced by a 1,3-dihydroxy-3,3-bis(trifluoromethyl)propyl group. NCS172285 (also known as acts as NSC12) has been used as an extracellular fibroblast growth factor (FGF) trap with implications in cancer therapy. The stereochemistry shown is that of the most active stereoisomer, as determined by Mattia Anselmi (PhD thesis, University of Parma, 2015). PMID:26267536 chebi.json NSC12|UPR1358|(1S)-4,4,4-trifluoro-1-[(3S,8S,9S,10R,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-(trifluoromethyl)butane-1,3-diol|17beta-[(1S)-1,3-dihydroxy-3,3-bis(trifluoromethyl)propyl] androst-5-en-3beta-ol|17beta-[(1S)-4,4,4-trifluoro-1,3-dihydroxy-3-(trifluoromethyl)butyl] androst-5-en-3beta-ol|(20S)-21-[hydroxy(bistrifluoromethyl)methyl]pregnane-3beta,20-diol http://purl.obolibrary.org/obo/CHEBI_90931 3_STAR CHEBI:90932 biolink:ChemicalSubstance cariprazine hydrochloride A hydrochloride obtained by combining cariprazine with one molar equivalent of hydrochloric acid. Used for treatment of schizophrenia and bipolar disorder. Reaxys:18784660|Patent:WO2009104739|PMID:26510944|CAS:1083076-69-0|PMID:26535019|Wikipedia:Cariprazine|Patent:US2011059980|KEGG:D09876|Patent:EP2251011|DrugBank:DB06016|CAS:1083076-69-0 chebi.json N'-(trans-4-{2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl}cyclohexyl)-N,N-dimethylurea hydrochloride|Vraylar|cariprazine monohydrochloride|cariprazine.HCl|RGH-188 HCL http://purl.obolibrary.org/obo/CHEBI_90932 3_STAR CHEBI:65976 biolink:ChemicalSubstance glycyrrhizol A A member of the class of coumestans that is 3,4-didehydroterocarpan substituted by hydroxy groups at positions 7 and 4', a methoxy group at position 5 and prenyl groups at positions 6 and 5'. Isolated from the roots of Glycyrrhiza uralensis, it exhibits antibacterial activity. PMID:22030309|Wikipedia:Glycyrrhizol|PMID:16441081|Reaxys:18589784|PMID:21449211 chebi.json 7,4'-dihydroxy-5-methoxy-6,5'-di(3,3-dimethylallyl)-pterocarpene|1-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,9-diol http://purl.obolibrary.org/obo/CHEBI_65976 3_STAR CHEBI:65977 biolink:ChemicalSubstance glycyrrhizol B An organic heteropentacyclic compound that is 2H-pyrano[3',4',5'',6'']-pterocarpene substituted by a hydroxy group at position 7, a methoxy group at position 5 and geminal methyl groups at position 2''. Isolated from the roots of Glycyrrhiza uralensis, it exhibits antibacterial activity. PMID:16441081|Reaxys:18589783 chebi.json 12-methoxy-3,3-dimethyl-3H,7H-furo[3,2-c:5,4-f']dichromen-10-ol|7-hydroxy-5-methoxy-2'',2''-dimethyl-2H-pyrano[3',4',5'',6'']-pterocarpene http://purl.obolibrary.org/obo/CHEBI_65977 3_STAR CHEBI:90933 biolink:ChemicalSubstance cariprazine An N-alkylpiperazine that is N,N-dimethyl-N'-{trans-4-[2-(piperazin-1-yl)ethyl]cyclohexyl}urea substituted at position 4 on the piperazine ring by a 2,3-dichlorophenyl group. Used (as the hydrochloride salt) for treatment of schizophrenia and bipolar disorder. PMID:26717533|PMID:23966785|CAS:839712-12-8|PMID:22537450|Drug_Central:5037|PMID:26541814|PMID:25692006|PMID:26075487|PMID:26510944|PMID:25562205|PMID:25083572|PMID:26655732|PMID:24975932|Wikipedia:Cariprazine|KEGG:D09997|CAS:839712-12-8|PMID:25532076|PMID:26723167|PMID:26419293|PMID:26472602|DrugBank:DB06016|PMID:26160196|PMID:25056368|PMID:24229617|PMID:26586950|Reaxys:18784658|PMID:26044980|PMID:24412468|PMID:26655189|PMID:23138433|PMID:24048386 chebi.json cariprazine|RGH 188|RGH-188|N'-(trans-4-{2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl}cyclohexyl)-N,N-dimethylurea http://purl.obolibrary.org/obo/CHEBI_90933 3_STAR CHEBI:65978 biolink:ChemicalSubstance gnidilatimonoein A diterpenoid isolated from the leaves of Daphne mucronata and exhibits anti-tumour and anti-metastatic activities. PMID:17366739|PMID:15344420|PMID:14761668|PMID:21476989|PMID:22615651|Reaxys:10048596 chebi.json (3aR,10aS)-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-2-[(1E)-non-1-en-1-yl]-10a-(prop-1-en-2-yl)-3a,3c,4a,5,5a,6,8a,9,10,10a-decahydro-3bH-2,8b-epoxyoxireno[6,7]azuleno[5,4-e][1,3]benzodioxol-10-yl (2E)-3-phenylprop-2-enoate http://purl.obolibrary.org/obo/CHEBI_65978 3_STAR CHEBI:90934 biolink:ChemicalSubstance cariprazine(1+) An organic cation obtained by protonation of cariprazine. chebi.json cariprazine cation http://purl.obolibrary.org/obo/CHEBI_90934 3_STAR CHEBI:90930 biolink:ChemicalSubstance aripiprazole lauroxil A dodecanoate ester obtained by formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of 7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-2-oxo-3,4-dihydroquinolin-1(2H)-yl]methanol. A prodrug for aripiprazole, it is used for treatment of schizophrenia. PMID:26517202|CAS:1259305-29-7|PMID:26681901|KEGG:D10364|PMID:26609204|Reaxys:22857747|CAS:1259305-29-7|Drug_Central:5052|PMID:25266547|PMID:26573020|PMID:25756003|PMID:26114240 chebi.json RDC 3317|RDC-3317|ALKS 9072|ALKS 9070|Aristada|[7-{4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy}-2-oxo-3,4-dihydroquinolin-1(2H)-yl]methyl dodecanoate|Dodecanoic acid, (7-(4-(4-(2,3-dichlorophenyl)-1-piperazinyl)butoxy)-3,4-dihydro-2-oxo-1(2H)-quinolinyl)methyl ester http://purl.obolibrary.org/obo/CHEBI_90930 3_STAR CHEBI:65982 biolink:ChemicalSubstance guangsangon K A member of the class of polyphenols consisting of a methylcyclohexene ring attached to a 2,4-dihydroxyphenyl, 2,4-dihydroxybenzoyl and dihydroflavonol moieties at positions 5'', 4'' and 3'' respectively. Regarded biogenetically as a Diels-Alder adduct, it is isolated from the stem barks of Morus macroura and exhibits antioxidant activity. Reaxys:9891559|PMID:15467233 chebi.json (2R,3R)-2-{3-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl}-3,7-dihydroxy-2,3-dihydro-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65982 3_STAR CHEBI:65983 biolink:ChemicalSubstance guangsangon L A member of the class of polyphenols consisting of a methylcyclohexene ring attached to a 2,4-dihydroxyphenyl, 2,4-dihydroxybenzoyl and 2,4-dihydroxybenzaldehyde moieties at positions 5'', 4'' and 3'' respectively. Regarded biogenetically as a Diels-Alder adduct, it is isolated from the stem barks of Morus macroura and exhibits antioxidant activity. Reaxys:9886201|PMID:15467233 chebi.json 5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxybenzaldehyde http://purl.obolibrary.org/obo/CHEBI_65983 3_STAR CHEBI:65984 biolink:ChemicalSubstance guangsangon M A member of the class of polyphenols consisting of a methylcyclohexene ring attached to a 2,4-dihydroxyphenyl, 2,4-dihydroxybenzoyl and trihydroxyflavanone moieties at positions 5'', 4'' and 3'' respectively (the 2R,3''R,4''R,5''S stereoisomer). Regarded biogenetically as a Diels-Alder adduct, it is isolated from the stem barks of Morus macroura and exhibits antioxidant activity. PMID:15467233|Reaxys:9891038 chebi.json (2R)-2-{5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl}-7-hydroxy-2,3-dihydro-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65984 3_STAR CHEBI:65985 biolink:ChemicalSubstance guangsangon N A member of the class of polyphenols consisting of a methylcyclohexene ring attached to a 2,4-dihydroxyphenyl, 2,4-dihydroxybenzoyl and trihydroxyflavanone moieties at positions 5'', 4'' and 3'' respectively (the 2S,3''R,4''R,5''S stereoisomer). Regarded biogenetically as a Diels-Alder adduct, it is isolated from the stem barks of Morus macroura and exhibits antioxidant activity. PMID:15467233|Reaxys:9891037 chebi.json (2S)-2-{5-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl}-7-hydroxy-2,3-dihydro-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65985 3_STAR CHEBI:90917 biolink:ChemicalSubstance A-type aurachin Any aurachin in which the farnesyl residue is positioned at C4 of the quinoline core (cf. C-type aurachin, in which the farnesyl residue is positioned at C3). C-type aurachins are converted into A-type aurachins by late stage tailoring reactions. PMID:21979787|PMID:18989924 chebi.json A-type aurachins http://purl.obolibrary.org/obo/CHEBI_90917 3_STAR CHEBI:90918 biolink:ChemicalSubstance C-type aurachin Any aurachin in which the farnesyl residue is positioned at C3 of the quinoline core (cf. A-type aurachin, in which the farnesyl residue is positioned at C4). C-type aurachins are converted into A-type aurachins by late stage tailoring reactions. chebi.json C-type aurachins http://purl.obolibrary.org/obo/CHEBI_90918 3_STAR CHEBI:65980 biolink:ChemicalSubstance grassypeptolide A 31-membered macrocyclic cyclodepsipeptide isolated from the cyanobacterium Lyngbya confervoides and has been shown to exhibit antineoplastic activity. Chemspider:24600256|PMID:18220404|Reaxys:18860639 chebi.json (3R,7R,10R,14R,17R,20R,23R,24R,27S,30S,35aS)-3,27-dibenzyl-10-ethyl-20-[(1R)-1-hydroxyethyl]-2,16,23,24,29-pentamethyl-17-(2-methylpropyl)-30-(propan-2-yl)hexadecahydro-1H,6H,13H,27H-7,4:14,11-di(azeno)pyrrolo[1,2-g][1,13,20,4,7,10,17,24,27,30]oxadithiaheptaazacyclotritriacontine-1,8,15,18,21,25,28,31(7H,14H,22H)-octone http://purl.obolibrary.org/obo/CHEBI_65980 3_STAR CHEBI:90919 biolink:ChemicalSubstance Technivie A mixture composed of ombitasvir, paritaprevir and ritonavir which is used for treatment of genotype 4 chronic hepatitis C virus infection without cirrhosis. PMID:26681900|KEGG:D10745|PMID:26535020|PMID:26583608 chebi.json Technivie|Ombitasvir - paritaprevir -ritonavir mixt|Ombitasvir / paritaprevir / ritonavir|Ombitasvir and paritaprevir and ritonavir|Ombitasvir mixture with paritaprevir and ritonavir http://purl.obolibrary.org/obo/CHEBI_90919 3_STAR CHEBI:65981 biolink:ChemicalSubstance GTRI-02 A member of the class tetralins that is 3,4-dihydronaphthalen-1(2H)-one substituted by an acetyl, two hydroxy and methyl groups at positions 7, 3, 6 and 8 respectively. It isolated from Micromonospora and acts as an inhibitor of lipid peroxidation. PMID:22738326|PMID:21811263|Reaxys:8151628|PMID:9917009 chebi.json 7-acetyl-3,6-dihydroxy-8-methyl-3,4-dihydronaphthalen-1(2H)-one|7-acetyl-3,6-dihydroxy-8-methyl-tetralone http://purl.obolibrary.org/obo/CHEBI_65981 3_STAR CHEBI:90924 biolink:ChemicalSubstance aurachin A An A-type aurichin that is 1,2-dihydrofuro[2,3-c]quinoline 5-oxide which is substituted at position 2 by a (6E)-10-hydroxy-2,6-dimethylundeca-2,6-dien-10-yl group and at position 4 by a methyl group (relative configuration shown). Found in the myxobacterium Stigmatella aurantiaca strain Sg a15. PMID:24367422|PMID:21979787|PMID:3106289|PMID:18989924|MetaCyc:CPD-15911|CAS:108354-15-0|Reaxys:19439470 chebi.json aurichan-A|rel-(2R,5E)-6,10-dimethyl-2-[(2S)4-methyl-5-oxido-1,2-dihydrofuro[2,3-c]quinolin-2-yl]undeca-5,9-dien-2-ol http://purl.obolibrary.org/obo/CHEBI_90924 3_STAR CHEBI:90925 biolink:ChemicalSubstance QINTAKWWKTHF A twelve-membered polypeptide comprising the sequence Gln-Ile-Asn-Thr-Ala-Lys-Trp-Trp-Lys-Thr-His-Phe. PMID:26405107 chebi.json L-Gln-L-Ile-L-Asn-L-Thr-L-Ala-L-Lys-L-Trp-L-Trp-L-Lys-L-Thr-L-His-L-Phe|L-glutaminyl-L-isoleucyl-L-asparaginyl-L-threonyl-L-alanyl-L-lysyl-L-tryptophyl-L-tryptophyl-L-lysyl-L-threonyl-L-histidyl-L-phenylalanine|Gln-Ile-Asn-Thr-Ala-Lys-Trp-Trp-Lys-Thr-His-Phe http://purl.obolibrary.org/obo/CHEBI_90925 3_STAR CHEBI:90926 biolink:ChemicalSubstance tenofovir alafenamide An L-alanine derivative that is isopropyl L-alaninate in which one of the amino hydrogens is replaced by an (S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl group. A prodrug for tenofovir, it is used (as the fumarate salt) in combination therapy for the treatment of HIV-1 infection. CAS:379270-37-8|DrugBank:DB09299|Reaxys:8948831|KEGG:D10428|CAS:379270-37-8|Wikipedia:Tenofovir_alafenamide|Drug_Central:4944 chebi.json GS 7340|propan-2-yl N-[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninate|GS-7340|tenofovir alafenamide|TAF http://purl.obolibrary.org/obo/CHEBI_90926 3_STAR CHEBI:90927 biolink:ChemicalSubstance tenofovir alafenamide(1+) An organic cation obtained by protonation of the exocyclic amino group of tenofovir alafenamide. chebi.json tenofovir alafenamide cation http://purl.obolibrary.org/obo/CHEBI_90927 3_STAR CHEBI:90920 biolink:ChemicalSubstance EC 1.8.5.* (oxidoreductase acting on sulfur group donors, quinone or similar as acceptor) inhibitor Any EC 1.8.* (oxidoreductase acting on sulfur group of donors) inhibitor that interferes with the action of any such enzyme using a quinone or similar compound as an acceptor. chebi.json oxidoreductase acting on sulfur group donors, quinone or similar as acceptor (EC 1.8.5.*) inhibitor|EC 1.8.5.* inhibitors|EC 1.8.5.* inhibitor|oxidoreductase acting on sulfur group donors, quinone or similar as acceptor (EC 1.8.5.*) inhibitors|EC 1.8.5.* (oxidoreductase acting on sulfur group donors, quinone or similar as acceptor) inhibitors http://purl.obolibrary.org/obo/CHEBI_90920 3_STAR CHEBI:65986 biolink:ChemicalSubstance gummiferaoside A A triterpenoid saponin isolated from the roots of of the Madagascan plant Albizia gummifera and has been shown to exhibit cytotoxicity against human ovarian cancer cell line. Reaxys:11058833|PMID:17263578 chebi.json beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-D-mannopyranosyl-(1->2)-1-O-[(3beta,16alpha,21beta)-21-({(2E,6S)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}oxy)-3-{[beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->2)-6-deoxy-beta-D-galactopyranosyl-(1->6)]-beta-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_65986 3_STAR CHEBI:65987 biolink:ChemicalSubstance gummiferaoside B A triterpenoid saponin isolated from the roots of of the Madagascan plant Albizia gummifera and has been shown to exhibit cytotoxicity against human ovarian cancer cell line. Reaxys:11058834|PMID:17263578 chebi.json beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-D-mannopyranosyl-(1->2)-1-O-[(3beta,16alpha,21beta)-3-{[alpha-L-arabinopyranosyl-(1->2)-6-deoxy-beta-D-galactopyranosyl-(1->6)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy}-21-({(2E,6S)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}oxy)-16-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_65987 3_STAR CHEBI:90921 biolink:ChemicalSubstance EC 1.8.5.4 (sulfide:quinone reductase) inhibitor An EC 1.8.5.* (oxidoreductase acting on sulfur group donors, quinone or similar as acceptor) inhibitor that interferes with the action of sulfide:quinone reductase (EC 1.8.5.4). Wikipedia:Sulfide:quinone_reductase chebi.json sulfide:quinone reductase (EC 1.8.5.4) inhibitors|EC 1.8.5.4 inhibitor|sulfide:quinone oxidoreductase inhibitor|sulfide:quinone oxidoreductase inhibitors|EC 1.8.5.4 inhibitors|EC 1.8.5.4 (sulfide:quinone reductase) inhibitors|sulfide:quinone reductase inhibitors|sulfide:quinone reductase inhibitor|sulfide:quinone reductase (EC 1.8.5.4) inhibitor http://purl.obolibrary.org/obo/CHEBI_90921 3_STAR CHEBI:65988 biolink:ChemicalSubstance gummiferaoside C A triterpenoid saponin isolated from the roots of of the Madagascan plant Albizia gummifera and has been shown to exhibit cytotoxicity against human ovarian cancer cell line. Reaxys:11058835|PMID:17263578 chebi.json beta-D-xylopyranosyl-(1->4)-6-deoxy-alpha-D-mannopyranosyl-(1->2)-1-O-[(3beta,16alpha,21beta)-21-({(2E,6S)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-4-O-{(2E,6R)-6-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}-beta-D-glucopyranosyl)oxy]-2,6-dimethylocta-2,7-dienoyl}oxy)-3-{[6-deoxy-beta-D-galactopyranosyl-(1->6)-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranosyl]oxy}-16-hydroxy-28-oxoolean-12-en-28-yl]-beta-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_65988 3_STAR CHEBI:90922 biolink:ChemicalSubstance Genvoya A four-drug mixture of elvitegravir, cobicistat, emtricitabine and tenofovir alafenamide fumarate that is used for the treatment of HIV-1 infection. KEGG:D10755 chebi.json Genvoya|Cobicistat mixture with elvitegravir, emtricitabine and tenofovir alafenamide|Cobicistat / elvitegravir / emtricitabine / tenofovir alafenamide|Elvitegravir - cobicistat - emtricitabine - tenofovir alafenamide mixt|Cobicistat, elvitegravir, emtricitabine and tenofovir alafenamide http://purl.obolibrary.org/obo/CHEBI_90922 3_STAR CHEBI:65989 biolink:ChemicalSubstance gutolactone A quassinoid isolated from Simaba guianensis and has been shown to exhibit antimalarial activity. CAS:152369-48-7|PMID:8289064 chebi.json (1beta,11beta,12alpha,13beta,15beta)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-15-yl 3-methylbut-2-enoate http://purl.obolibrary.org/obo/CHEBI_65989 3_STAR CHEBI:90923 biolink:ChemicalSubstance tenofovir alafenamide fumarate A fumarate salt prepared from tenofovir alafenamide by reaction of one molecule of fumaric acid for every two molecules of tenofovir alafenamide. A prodrug for tenofovir, it is used in combination therapy for the treatment of HIV-1 infection. KEGG:D10605|CAS:1392275-56-7|PMID:24289800|PMID:25102336|DrugBank:DB09299|PMID:26658300|PMID:25965310|CAS:1392275-56-7|PMID:26640223|PMID:26503655|PMID:25745115|Wikipedia:Tenofovir_alafenamide|Reaxys:23336042|PMID:25134808 chebi.json bis{9-[(2R,5S,7E)-2,7,10-trimethyl-5,8-dioxo-5-phenoxy-3,9-dioxa-6-aza-5lambda5-phosphaundecan-1-yl]-9H-purin-6-aminium} (2E)-but-2-enedioate|bis{propan-2-yl N-[(S)-({[(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy}methyl)(phenoxy)phosphoryl]-L-alaninate} (2E)-but-2-enedioate|tenofovir alafenamide hemifumarate|Vemlidy|TAF|GS-7340-03 http://purl.obolibrary.org/obo/CHEBI_90923 3_STAR CHEBI:170365 biolink:ChemicalSubstance TG(22:2(13Z,16Z)/16:1(9Z)/18:3(9Z,12Z,15Z)) HMDB:HMDB0054424|Chemspider:59663087 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170365 2_STAR CHEBI:51349 biolink:ChemicalSubstance polyamine macromolecule A macromolecule composed of units connected by imino (-NR-) linkages. CAS:27308-78-7|KEGG:C06702 chebi.json polyamine|poly(amine)s|poly(amine)|polyamines|polyamine|Polyamine http://purl.obolibrary.org/obo/CHEBI_51349 3_STAR CHEBI:170366 biolink:ChemicalSubstance PE(18:1(9Z)/18:3(6Z,9Z,12Z)) LIPID_MAPS_instance:LMGP02010643|Chemspider:24768529|HMDB:HMDB0009061 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170366 2_STAR CHEBI:170367 biolink:ChemicalSubstance TG(22:2(13Z,16Z)/16:0/18:4(6Z,9Z,12Z,15Z)) Chemspider:59663038|HMDB:HMDB0054365 chebi.json [(2S)-2-hexadecanoyloxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170367 2_STAR CHEBI:170368 biolink:ChemicalSubstance PE(18:1(11Z)/18:3(9Z,12Z,15Z)) Chemspider:24768502|HMDB:HMDB0009029 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170368 2_STAR CHEBI:51345 biolink:ChemicalSubstance benzathine(2+) Gmelin:1918654 chebi.json N,N'-dibenzylethane-1,2-diaminium http://purl.obolibrary.org/obo/CHEBI_51345 3_STAR CHEBI:170369 biolink:ChemicalSubstance TG(22:2(13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z)) HMDB:HMDB0054346|Chemspider:59663021 chebi.json [(2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-2-tetradecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170369 2_STAR CHEBI:26389 biolink:ChemicalSubstance purine deoxyribonucleoside triphosphate chebi.json purine deoxyribonucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_26389 3_STAR CHEBI:51346 biolink:ChemicalSubstance benzathine(1+) chebi.json N-benzyl-2-(benzylamino)ethanaminium http://purl.obolibrary.org/obo/CHEBI_51346 3_STAR CHEBI:51347 biolink:ChemicalSubstance benzathine(2+) salt chebi.json benzathine salts http://purl.obolibrary.org/obo/CHEBI_51347 3_STAR CHEBI:51348 biolink:ChemicalSubstance tetraphene An angular ortho-fused polycyclic arene consisting of four fused benzene rings. PMID:25528193|CAS:56-55-3|Patent:DE486766|Beilstein:1909298|PMID:7561049|Reaxys:1909298|Wikipedia:Tetraphene|PMID:26720419|KEGG:C14317|Gmelin:244702|CAS:56-55-3|PMID:25528488|Patent:DE481819|CAS:56-55-3 chebi.json naphthanthracene|Benz[a]anthracene|1,2-Benzanthracene|2,3-benzphenanthrene|tetraphene|1,2-Benzanthrazen|benzanthrene http://purl.obolibrary.org/obo/CHEBI_51348 3_STAR CHEBI:26385 biolink:ChemicalSubstance purine alkaloid chebi.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 chebi.json a purine nucleobase|purine nucleobase|purine nucleobases|purine bases http://purl.obolibrary.org/obo/CHEBI_26386 3_STAR CHEBI:26387 biolink:ChemicalSubstance purine 2'-deoxyribonucleoside diphosphate chebi.json purine 2'-deoxyribonucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26387 3_STAR CHEBI:26388 biolink:ChemicalSubstance purine 2'-deoxyribonucleoside monophosphate chebi.json purine 2'-deoxyribonucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26388 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 chebi.json Pulegone|1-Methyl-4-isopropylidene-3-cyclohexanone|5-Methyl-2-isopropylidenecyclohexanone|5-methyl-2-(propan-2-ylidene)cyclohexan-1-one|p-menth-4(8)-en-3-one|5-Methyl-2-(1-methylethylidene)cyclohexanone|(+-)-Pulegone|1-Isopropylidene-4-methyl-2-cyclohexanone|4(8)-p-Menthen-3-one http://purl.obolibrary.org/obo/CHEBI_26381 3_STAR CHEBI:26382 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26382 CHEBI:26383 biolink:ChemicalSubstance pullulanpyrazole chebi.json http://purl.obolibrary.org/obo/CHEBI_26383 1_STAR CHEBI:26384 biolink:ChemicalSubstance pullulans chebi.json http://purl.obolibrary.org/obo/CHEBI_26384 1_STAR CHEBI:26390 biolink:ChemicalSubstance purine 2'-deoxyribonucleotide chebi.json purine 2'-deoxyribonucleotides http://purl.obolibrary.org/obo/CHEBI_26390 3_STAR CHEBI:26391 biolink:ChemicalSubstance purine nucleoside diphosphate chebi.json purine nucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26391 3_STAR CHEBI:9526 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9526 CHEBI:9527 biolink:ChemicalSubstance Thiaburimamide CAS:38603-23-5|KEGG:C11800 chebi.json Thiaburimamide http://purl.obolibrary.org/obo/CHEBI_9527 2_STAR CHEBI:9528 biolink:ChemicalSubstance 3-(4-bromophenylimino)tetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazine-3-thione KEGG:C10977 chebi.json 5-(4-Bromophenylimino)-3,4-tetramethylene-1,3,4-thiadiazolidine-2-thione http://purl.obolibrary.org/obo/CHEBI_9528 2_STAR CHEBI:9529 biolink:ChemicalSubstance 3-(4-bromophenylimino)tetrahydro[1,3,4]thiadiazolo[3,4-a]pyridazin-3-one KEGG:C10973 chebi.json 5-(4-Bromophenylimino)-3,4-tetramethylene-1,3,4-thiadiazolidin-2-one http://purl.obolibrary.org/obo/CHEBI_9529 2_STAR CHEBI:9522 biolink:ChemicalSubstance theogallin A gallate ester resulting from the formal condensation of gallic acid with the (5R)-hydroxy group of (-)-quinic acid (i.e. the hydroxy group on the same side of the cyclohexane ring as the carboxy group). CAS:17365-11-6|KEGG:C10834|PMID:17910815|PMID:17725856|Beilstein:2226689|Reaxys:3169213|KNApSAcK:C00002676 chebi.json Theogallin|(1S,3R,4R,5R)-1,3,4-trihydroxy-5-(3,4,5-trihydroxybenzoyloxy)cyclohexanecarboxylic acid http://purl.obolibrary.org/obo/CHEBI_9522 3_STAR CHEBI:51341 biolink:ChemicalSubstance pristanoyl-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 pristanic acid. HMDB:HMDB0002057|PMID:17613526|PMID:16768463|PMID:10709653 chebi.json pristanoyl-coenzyme A|2,6,10,14-tetramethylpentadecanoyl-coenzyme A|2,6,10,14-tetramethylpentadecanoyl-CoA|3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(2,6,10,14-tetramethylpentadecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) http://purl.obolibrary.org/obo/CHEBI_51341 3_STAR CHEBI:51342 biolink:ChemicalSubstance ampicillin potassium CAS:23277-71-6|Beilstein:6039988 chebi.json potassium 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate|potassium (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 http://purl.obolibrary.org/obo/CHEBI_51342 3_STAR CHEBI:9523 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9523 CHEBI:51343 biolink:ChemicalSubstance ampicillin benzathine CAS:33276-75-4 chebi.json N,N'-dibenzylethane-1,2-diaminium bis{6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylate}|ampicillin N,N'-dibenzylethylenediamine salt|benzathine ampicillin http://purl.obolibrary.org/obo/CHEBI_51343 3_STAR CHEBI:9524 biolink:ChemicalSubstance Thermospine CAS:486-90-8|KEGG:C10789|KNApSAcK:C00002238 chebi.json (-)-Thermopsine|Thermospine http://purl.obolibrary.org/obo/CHEBI_9524 2_STAR CHEBI:51344 biolink:ChemicalSubstance benzathine Patent:DE98031|Gmelin:1224731|Beilstein:786668|CAS:140-28-3|CAS:140-28-3|Patent:US2773098 chebi.json N,N'-dibenzylethylenediamine|DBED|N,N'-dibenzylethane-1,2-diamine|1,2-bis(benzylamino)ethane|N,N'-dibenzyl-1,2-ethylenediamine http://purl.obolibrary.org/obo/CHEBI_51344 3_STAR CHEBI:170360 biolink:ChemicalSubstance PE(18:3(6Z,9Z,12Z)/18:1(9Z)) HMDB:HMDB0009125|Chemspider:24768588|LIPID_MAPS_instance:LMGP02010691 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170360 2_STAR CHEBI:9525 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9525 CHEBI:170361 biolink:ChemicalSubstance DG(i-15:0/0:0/a-17:0) HMDB:HMDB0093765|Chemspider:59692836 chebi.json [(2S)-2-hydroxy-3-(13-methyltetradecanoyloxy)propyl] 14-methylhexadecanoate http://purl.obolibrary.org/obo/CHEBI_170361 2_STAR CHEBI:170362 biolink:ChemicalSubstance PE(18:3(6Z,9Z,12Z)/18:1(11Z)) HMDB:HMDB0009124|Chemspider:24768587 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170362 2_STAR CHEBI:170363 biolink:ChemicalSubstance TG(18:3(9Z,12Z,15Z)/20:0/18:3(9Z,12Z,15Z)) HMDB:HMDB0055176|Chemspider:30778303 chebi.json 1,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propan-2-yl icosanoate http://purl.obolibrary.org/obo/CHEBI_170363 2_STAR CHEBI:9520 biolink:ChemicalSubstance Thenylchlor KEGG:C10959|CAS:96491-05-3|PPDB:1171 chebi.json NSK-850|Thenylchlor http://purl.obolibrary.org/obo/CHEBI_9520 2_STAR CHEBI:51340 biolink:ChemicalSubstance pristanic acid A branched, long-chain saturated fatty acid composed of pentadecanoic acid having methyl substituents at the 2-, 6-, 10- and 14-positions. PMID:11861706|LIPID_MAPS_instance:LMFA01020250|PMID:9819701|MetaCyc:PRISTANATE|Reaxys:1786841|CAS:1189-37-3 chebi.json 2,6,10,14-tetramethylpentadecylic acid|acido pristanico|Pristaninsaeure|2,6,10,14-Tetramethyl-pentadecansaeure|acide pristanique|2,6,10,14-tetramethylpentadecanoic acid http://purl.obolibrary.org/obo/CHEBI_51340 3_STAR CHEBI:170364 biolink:ChemicalSubstance PE(18:1(9Z)/18:3(9Z,12Z,15Z)) HMDB:HMDB0009062|Chemspider:24768530|LIPID_MAPS_instance:LMGP02011197 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170364 2_STAR CHEBI:9521 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9521 CHEBI:170376 biolink:ChemicalSubstance TG(20:3n6/18:0/18:3(9Z,12Z,15Z)) Chemspider:59662384|HMDB:HMDB0053694 chebi.json [(2R)-2-octadecanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170376 2_STAR CHEBI:51338 biolink:ChemicalSubstance dendrimer macromolecule A highly and repetitively branched macromolecule, typically symmetric around the core, and often adopting a spherical three-dimensional morphology. Wikipedia:Dendrimer chebi.json dendron|cascade molecule|arborol|dendrimer|dendritic macromolecule http://purl.obolibrary.org/obo/CHEBI_51338 3_STAR CHEBI:51339 biolink:ChemicalSubstance adamantanes Compounds containing an adamantane skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51339 3_STAR CHEBI:170377 biolink:ChemicalSubstance TG(20:3n6/16:0/20:3n6) HMDB:HMDB0053677|Chemspider:30778161 chebi.json [2-hexadecanoyloxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170377 2_STAR CHEBI:170378 biolink:ChemicalSubstance TG(20:2n6/18:1(9Z)/18:3(9Z,12Z,15Z)) HMDB:HMDB0053400|Chemspider:59662116 chebi.json [(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170378 2_STAR CHEBI:170379 biolink:ChemicalSubstance PE(18:0/18:4(6Z,9Z,12Z,15Z)) Chemspider:24768478|HMDB:HMDB0008997|LIPID_MAPS_instance:LMGP02011203 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170379 2_STAR CHEBI:51334 biolink:ChemicalSubstance SO-thioperoxol Organic derivatives of sulfenic acid in which the sulfeno group is linked directly to carbon. chebi.json SO-thioperoxols|SO-thioperoxol|organosulfenic acids|sulfenic acids http://purl.obolibrary.org/obo/CHEBI_51334 3_STAR CHEBI:51335 biolink:ChemicalSubstance macrocyclic molecular knot A topologically-knotted macrocycle. chebi.json http://purl.obolibrary.org/obo/CHEBI_51335 3_STAR CHEBI:51336 biolink:ChemicalSubstance metal sulfate Sulfate salts where the cation is a metal ion. chebi.json metal sulfates http://purl.obolibrary.org/obo/CHEBI_51336 3_STAR CHEBI:51337 biolink:ChemicalSubstance organic sulfate salt chebi.json organic sulfate salts http://purl.obolibrary.org/obo/CHEBI_51337 3_STAR CHEBI:26396 biolink:ChemicalSubstance purine ribonucleoside diphosphate chebi.json purine ribonucleoside diphosphates http://purl.obolibrary.org/obo/CHEBI_26396 3_STAR CHEBI:26397 biolink:ChemicalSubstance purine ribonucleoside monophosphate chebi.json purine ribonucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26397 3_STAR CHEBI:26398 biolink:ChemicalSubstance purine ribonucleoside triphosphate chebi.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). chebi.json purine ribonucleosides http://purl.obolibrary.org/obo/CHEBI_26399 3_STAR CHEBI:26392 biolink:ChemicalSubstance purine nucleoside monophosphate chebi.json purine nucleoside monophosphates http://purl.obolibrary.org/obo/CHEBI_26392 3_STAR CHEBI:26393 biolink:ChemicalSubstance purine nucleoside triphosphate chebi.json purine nucleoside triphosphates http://purl.obolibrary.org/obo/CHEBI_26393 3_STAR CHEBI:26394 biolink:ChemicalSubstance purine nucleoside chebi.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. chebi.json purine nucleotides http://purl.obolibrary.org/obo/CHEBI_26395 3_STAR CHEBI:9537 biolink:ChemicalSubstance Thiamylal sodium KEGG:D00713|CAS:337-47-3 chebi.json Thiamylal sodium|Surital http://purl.obolibrary.org/obo/CHEBI_9537 2_STAR CHEBI:9538 biolink:ChemicalSubstance Thiarubrine A CAS:63543-09-9|KNApSAcK:C00001295|KEGG:C08461 chebi.json Thiarubrine A http://purl.obolibrary.org/obo/CHEBI_9538 2_STAR CHEBI:9539 biolink:ChemicalSubstance Thiarubrine B CAS:71539-72-5|KNApSAcK:C00001296|KEGG:C08462 chebi.json Thiarubrine B http://purl.obolibrary.org/obo/CHEBI_9539 2_STAR CHEBI:9533 biolink:ChemicalSubstance thiamine(1+) monophosphate A 1,3-thiazolium cation that is the conjugate acid of thiamine(1+) monophosphate(1-). Wikipedia:Thiamine_monophosphate|Reaxys:3916670|PMID:12111441|PMID:11997266|Beilstein:3916670|AGR:IND44724844|KNApSAcK:C00019628|PMID:24583237|Gmelin:1063443|KEGG:C01081|PDBeChem:TPS chebi.json Thiamine phosphate|Thiamin monophosphate|Thiamine monophosphate|3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium|TMP|Thiamin phosphate http://purl.obolibrary.org/obo/CHEBI_9533 3_STAR CHEBI:51330 biolink:ChemicalSubstance esoxybutynin chloride DrugBank:DB01062|KEGG:D04057|CAS:230949-16-3 chebi.json 4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetate hydrochloride http://purl.obolibrary.org/obo/CHEBI_51330 3_STAR CHEBI:9534 biolink:ChemicalSubstance thiamine(1+) triphosphate A thiamine phosphate having an O-triphosphate moiety. KEGG:C03028|Beilstein:3808304|CAS:3475-65-8 chebi.json Thiamine triphosphate|Thiamin triphosphate|3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(triphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium http://purl.obolibrary.org/obo/CHEBI_9534 3_STAR CHEBI:51331 biolink:ChemicalSubstance molecular knot chebi.json knotane http://purl.obolibrary.org/obo/CHEBI_51331 3_STAR CHEBI:170370 biolink:ChemicalSubstance PE(18:1(11Z)/18:3(6Z,9Z,12Z)) Chemspider:24768501|HMDB:HMDB0009028 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170370 2_STAR CHEBI:51332 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_51332 CHEBI:9535 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9535 CHEBI:51333 biolink:ChemicalSubstance sulfenic acid derivative chebi.json derivatives of sulfenic acid|sulfenic acid derivative|sulfenic acid derivatives http://purl.obolibrary.org/obo/CHEBI_51333 3_STAR CHEBI:9536 biolink:ChemicalSubstance thiamylal A member of the class of barbiturates that is 2-thioxodihydropyrimidine-4,6(1H,5H)-dione substituted by a pentan-2-yl and prop-2-en-1-yl group at position 5. LINCS:LSM-4367|Reaxys:225331|PMID:23852608|DrugBank:DB01154|CAS:77-27-0|KEGG:C07846|Drug_Central:2626|PMID:20434100|CAS:77-27-0|CAS:77-27-0|Wikipedia:Thiamylal|PMID:24351886|HMDB:HMDB0015285|KEGG:D06106|PMID:1943061|Beilstein:225331 chebi.json Thiamylal|5-(pentan-2-yl)-5-(prop-2-en-1-yl)-2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione|5-allyl-5-(1-methylbutyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione|5-allyl-5-(1-methylbutyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione|dihydro-5-(1-methylbutyl)-5-(2-propenyl)-2-thioxo-4,6(1H,5H)-pyrimidinedione|5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid|thioseconal http://purl.obolibrary.org/obo/CHEBI_9536 3_STAR CHEBI:170371 biolink:ChemicalSubstance PE(16:1(9Z)/20:3(5Z,8Z,11Z)) Chemspider:24768454|HMDB:HMDB0008968 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170371 2_STAR CHEBI:170372 biolink:ChemicalSubstance TG(20:4(5Z,8Z,11Z,14Z)/14:0/22:2(13Z,16Z)) Chemspider:59662671|HMDB:HMDB0054013 chebi.json [(2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-2-tetradecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170372 2_STAR CHEBI:170373 biolink:ChemicalSubstance PE(16:0/20:4(8Z,11Z,14Z,17Z)) Chemspider:24768430|HMDB:HMDB0008938 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170373 2_STAR CHEBI:9530 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9530 CHEBI:170374 biolink:ChemicalSubstance TG(20:3n6/14:1(9Z)/22:2(13Z,16Z)) Chemspider:59662424|HMDB:HMDB0053739 chebi.json [(2R)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170374 2_STAR CHEBI:9531 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9531 CHEBI:9532 biolink:ChemicalSubstance thiamine(1+) diphosphate A 1,3-thiazolium cation that is the conjugate acid of thiamine(1+) diphosphate(1). KNApSAcK:C00019627|PMID:16850348|HMDB:HMDB0001372|YMDB:YMDB00381|KEGG:C00068|ECMDB:ECMDB01372|PMID:12111441|Reaxys:3577792|CAS:154-87-0|PMID:6121420|PDBeChem:TPP|MetaCyc:THIAMINE-PYROPHOSPHATE|PMID:17611796|Beilstein:3577792 chebi.json 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[2-(diphosphooxy)ethyl]-4-methyl-1,3-thiazol-3-ium|Thiamin diphosphate|Thiamin pyrophosphate|Thiamine diphosphate|TPP|ThPP http://purl.obolibrary.org/obo/CHEBI_9532 3_STAR CHEBI:170375 biolink:ChemicalSubstance PE(14:0/22:4(7Z,10Z,13Z,16Z)) Chemspider:24768349|HMDB:HMDB0008844|LIPID_MAPS_instance:LMGP02010421 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170375 2_STAR CHEBI:51327 biolink:ChemicalSubstance 1-vinylnaphthalene Beilstein:1209477|Gmelin:280429|CAS:826-74-4|CAS:826-74-4 chebi.json 1-ethenylnaphthalene|1-vinyl naphthalene http://purl.obolibrary.org/obo/CHEBI_51327 3_STAR CHEBI:170387 biolink:ChemicalSubstance TG(20:2n6/16:0/20:4(5Z,8Z,11Z,14Z)) HMDB:HMDB0053292|Chemspider:59662017 chebi.json [(2S)-2-hexadecanoyloxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170387 2_STAR CHEBI:170388 biolink:ChemicalSubstance PA(18:0/20:3(8Z,11Z,14Z)) HMDB:HMDB0115515|Chemspider:74877253|LIPID_MAPS_instance:LMGP10010885 chebi.json [(2R)-1-octadecanoyloxy-3-phosphonooxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170388 2_STAR CHEBI:51328 biolink:ChemicalSubstance bromoalkene A compound derived from an alkene by replacing a hydrogen atom with a bromine atom. chebi.json bromoalkenes http://purl.obolibrary.org/obo/CHEBI_51328 3_STAR CHEBI:51329 biolink:ChemicalSubstance esoxybutynin A 4-(diethylamino)but-2-yn-1-ol yhat has S configuration. In contrast to the (R)- enantiomer, esoxybutynin exhibits essentially no anticholinergic activity. CAS:119618-22-3|PMID:12001823|PMID:25215879|PMID:12431028|PMID:26852022|PMID:10987980|PMID:24036364 chebi.json (+)-oxybutynin|esoxybutyninum|(S)-(+)-oxybutynin|esoxibutinina|(S)-oxybutynin|4-(diethylamino)but-2-yn-1-yl (2S)-cyclohexyl(hydroxy)phenylacetate|esoxybutynin|esoxybutynine http://purl.obolibrary.org/obo/CHEBI_51329 3_STAR CHEBI:170389 biolink:ChemicalSubstance TG(20:2n6/14:0/22:4(7Z,10Z,13Z,16Z)) Chemspider:59661995|HMDB:HMDB0053268 chebi.json [(2S)-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-2-tetradecanoyloxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170389 2_STAR CHEBI:51323 biolink:ChemicalSubstance cinchona alkaloid An alkaloid based on a cinchonan skeleton. chebi.json cinchona alkaloids http://purl.obolibrary.org/obo/CHEBI_51323 3_STAR CHEBI:26367 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26367 CHEBI:26368 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26368 CHEBI:51324 biolink:ChemicalSubstance vinylarene A vinyl-substituted arene. chebi.json http://purl.obolibrary.org/obo/CHEBI_51324 3_STAR CHEBI:51325 biolink:ChemicalSubstance 2-vinylnaphthalene A vinylnaphthalene carrying a vinyl group at position 2. Beilstein:2038190|Gmelin:807353|PMID:11933085|Reaxys:2038190|CAS:827-54-3|CAS:827-54-3|PMID:14624571 chebi.json 2-ethenylnaphthalene|beta-vinylnaphthalene http://purl.obolibrary.org/obo/CHEBI_51325 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. chebi.json psoralenes http://purl.obolibrary.org/obo/CHEBI_26369 3_STAR CHEBI:51326 biolink:ChemicalSubstance vinylnaphthalene A vinylarene that is naphthalene substituted by a vinyl group at unspecified position. A "closed class". chebi.json ethenylnaphthalene http://purl.obolibrary.org/obo/CHEBI_51326 3_STAR CHEBI:26363 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26363 CHEBI:26364 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26364 CHEBI:26365 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26365 CHEBI:26366 biolink:ChemicalSubstance pseudouridines chebi.json http://purl.obolibrary.org/obo/CHEBI_26366 3_STAR CHEBI:26360 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26360 CHEBI:26361 biolink:ChemicalSubstance protoporphyrins chebi.json http://purl.obolibrary.org/obo/CHEBI_26361 1_STAR CHEBI:26362 biolink:ChemicalSubstance pseudonigeran chebi.json http://purl.obolibrary.org/obo/CHEBI_26362 1_STAR CHEBI:9508 biolink:ChemicalSubstance Thalassemine CAS:40524-74-1|KEGG:C01961 chebi.json L-Thalassemine|Thalassemine http://purl.obolibrary.org/obo/CHEBI_9508 2_STAR CHEBI:9509 biolink:ChemicalSubstance thalicarpine KNApSAcK:C00001920|KEGG:C09655|CAS:5373-42-2 chebi.json (6aS)-9-(2-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-1,2,10-trimethoxyaporphine|TBL|(6aS)-9-(2-{[(1S)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-4,5-dimethoxyphenoxy)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline|Taliblastine|Thalicarpine http://purl.obolibrary.org/obo/CHEBI_9509 3_STAR CHEBI:9504 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9504 CHEBI:9505 biolink:ChemicalSubstance nitro blue tetrazolium dichloride An organic chloride salt having nitro blue tetrazolium(2+) as the counterion. KEGG:C13503|Beilstein:4115923|KEGG:D02003|CAS:298-83-9|CAS:298-83-9 chebi.json p-nitro blue tetrazolium chloride|NBT|Nitro Blue tetrazolium chloride|3,3'-(3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride|Nitro blue tetrazolium|5,5'-diphenyl-3,3'-bis(4-nitrophenyl)-2,2'-(3,3'-dimethoxybiphenyl-4,4'-ylene)ditetrazolium dichloride|2,2'-(3,3'-dimethoxy-[1,1'-biphenyl]-4,4'-diyl)bis[3-(4-nitrophenyl)-5-phenyl-2H-tetrazol-3-ium] dichloride|3,3'-[3,3'-dimethoxy(1,1'-biphenyl)-4,4'-diyl]bis[2-(4-nitrophenyl)-5-phenyl-2H-tetrazolium] dichloride|Nitroblue tetrazolium chloride http://purl.obolibrary.org/obo/CHEBI_9505 3_STAR CHEBI:9506 biolink:ChemicalSubstance tetrodotoxin A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels. PMID:24566728|Beilstein:4156319|PMID:24121556|DrugBank:DB05232|PMID:23980434|PMID:24295175|PMID:23866757|KEGG:C11692|PMID:22798951|CAS:4368-28-9|PMID:28648727|PMID:22412801|PMID:23261990|PMID:22163187|PMID:28817087|Reaxys:6072946|Wikipedia:Tetrodotoxin|PMID:23661608|CAS:4368-28-9 chebi.json fugu poison|TTX|(1R,5R,6R,7R,9S,11R,12R,13S,14S)-14-(hydroxymethyl)-3-imino-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1(7,11).0(1,6)]tetradecane-5,9,12,13,14-pentol|octahydro-12-(hydroxymethyl)-2-imino-5,9:7,10a-dimethano-10aH-[1,3]dioxocino[6,5-d]pyrimidine-4,7,10,11,12-pentol|tetrodontoxin|TTX|tarichatoxin|maculotoxin|Tetrodotoxin|spheroidine http://purl.obolibrary.org/obo/CHEBI_9506 3_STAR CHEBI:9507 biolink:ChemicalSubstance Texasin HMDB:HMDB0132850|KNApSAcK:C00002579|KEGG:C10536|CAS:897-46-1 chebi.json 6,7-Dihydroxy-3-(4-methoxyphenyl)-4-benzopyrone|Texasin http://purl.obolibrary.org/obo/CHEBI_9507 2_STAR CHEBI:9500 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9500 CHEBI:170380 biolink:ChemicalSubstance PC(18:4(6Z,9Z,12Z,15Z)/15:0) HMDB:HMDB0008231|LIPID_MAPS_instance:LMGP01011704|Chemspider:24766893 chebi.json [(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170380 2_STAR CHEBI:9501 biolink:ChemicalSubstance tetraphenylarsonium An arsonium ion consisting of four phenyl groups attached to a central arsonium. CAS:15912-80-8|Gmelin:95431|Reaxys:1889693|DrugBank:DB04435|KEGG:C11316|PDBeChem:TTA|Beilstein:1889693|CAS:15912-80-8 chebi.json TETRAPHENYL-ARSONIUM|tetraphenylarsenic(1+)|AsPh4(+)|[AsPh4](+)|tetraphenylarsonium|Tetraphenylarsonium|tetraphenylarsanium http://purl.obolibrary.org/obo/CHEBI_9501 3_STAR CHEBI:51320 biolink:ChemicalSubstance vinylaziridines Vinylaziridine and its substitution derivatives. chebi.json ethenylaziridines http://purl.obolibrary.org/obo/CHEBI_51320 3_STAR CHEBI:51321 biolink:ChemicalSubstance 1-vinylaziridines 1-vinylaziridine and its substitution derivatives. chebi.json N-vinylaziridines http://purl.obolibrary.org/obo/CHEBI_51321 3_STAR CHEBI:170381 biolink:ChemicalSubstance TG(20:2n6/16:1(9Z)/20:3n6) Chemspider:59662087|HMDB:HMDB0053369 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170381 2_STAR CHEBI:9502 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9502 CHEBI:51322 biolink:ChemicalSubstance 2-vinylaziridines 2-vinylaziridine and its substitution derivatives. chebi.json http://purl.obolibrary.org/obo/CHEBI_51322 3_STAR CHEBI:170382 biolink:ChemicalSubstance PC(15:0/18:4(6Z,9Z,12Z,15Z)) Chemspider:24766618|HMDB:HMDB0007943|LIPID_MAPS_instance:LMGP01011418 chebi.json [(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170382 2_STAR CHEBI:9503 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9503 CHEBI:170383 biolink:ChemicalSubstance TG(20:2n6/18:0/18:4(6Z,9Z,12Z,15Z)) HMDB:HMDB0053310|Chemspider:59662034 chebi.json [(2S)-2-octadecanoyloxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170383 2_STAR CHEBI:170384 biolink:ChemicalSubstance TG(20:2n6/16:0/20:4(8Z,11Z,14Z,17Z)) HMDB:HMDB0053298|Chemspider:59662023 chebi.json [(2S)-2-hexadecanoyloxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170384 2_STAR CHEBI:170385 biolink:ChemicalSubstance PA(20:2(11Z,14Z)/18:1(9Z)) Chemspider:74877277|LIPID_MAPS_instance:LMGP10010568|HMDB:HMDB0115539 chebi.json [(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170385 2_STAR CHEBI:170386 biolink:ChemicalSubstance PA(18:1(9Z)/20:2(11Z,14Z)) HMDB:HMDB0115518|LIPID_MAPS_instance:LMGP10010332|Chemspider:74877256 chebi.json [(2R)-1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170386 2_STAR CHEBI:170398 biolink:ChemicalSubstance PA(18:2(9Z,12Z)/20:1(11Z)) HMDB:HMDB0114959|Chemspider:74876706|LIPID_MAPS_instance:LMGP10010355 chebi.json [(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170398 2_STAR CHEBI:51316 biolink:ChemicalSubstance haloethene A compound derived from ethene by replacing one or more hydrogen atoms with halogen atoms. chebi.json haloethene|haloethenes http://purl.obolibrary.org/obo/CHEBI_51316 3_STAR CHEBI:51317 biolink:ChemicalSubstance 1-vinylaziridine A vinylaziridine that consists of aziridine having a single vinyl group located at position 1. Reaxys:6473885|CAS:5628-99-9|CAS:5628-99-9|Beilstein:6473885 chebi.json N-Vinylethylenimine|N-Vinylaziridine|1-ethenylaziridine|N-Vinylethyleneimine http://purl.obolibrary.org/obo/CHEBI_51317 3_STAR CHEBI:170399 biolink:ChemicalSubstance TG(18:3(6Z,9Z,12Z)/20:0/18:3(9Z,12Z,15Z)) HMDB:HMDB0052908|Chemspider:59661660 chebi.json [(2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170399 2_STAR CHEBI:51318 biolink:ChemicalSubstance 2-vinylaziridine A vinylaziridine that consists of aziridine having a single vinyl group located at position 2. Beilstein:1098473|Reaxys:1098473 chebi.json 2-ethenylaziridine http://purl.obolibrary.org/obo/CHEBI_51318 3_STAR CHEBI:51319 biolink:ChemicalSubstance vinylaziridine chebi.json ethenylaziridine http://purl.obolibrary.org/obo/CHEBI_51319 3_STAR CHEBI:51312 biolink:ChemicalSubstance dehypoxanthine futalosine An analogue of futalosine lacking the hypoxanthine moiety. PMID:21098241|KEGG:C17010 chebi.json 3-{3-[(2R,3S,4R)-3,4,5-trihydroxytetrahydrofuran-2-yl]propanoyl}benzoic acid|de-hypoxanthine futalosine|de(hypoxanthine)futalosine|Dehypoxanthine futalosine http://purl.obolibrary.org/obo/CHEBI_51312 3_STAR CHEBI:26378 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26378 CHEBI:51313 biolink:ChemicalSubstance monohaloethene A haloethene in which only one of the hydrogen atoms in ethene is replaced by a halogen atom. chebi.json vinyl halides|monohaloethenes|vinyl halide|haloethene http://purl.obolibrary.org/obo/CHEBI_51313 3_STAR CHEBI:26379 biolink:ChemicalSubstance pteroyl group chebi.json 4-{[(2-amino-4-oxo-1,4-dihydropteridin-6-yl)methyl]amino}benzoyl http://purl.obolibrary.org/obo/CHEBI_26379 3_STAR CHEBI:51314 biolink:ChemicalSubstance fluoroethene Gmelin:130238|KEGG:C19185|CAS:75-02-5|CAS:75-02-5|Beilstein:1731574|CAS:75-02-5 chebi.json fluoroethene|1-fluoroethylene|vinyl fluoride|monofluoroethene|monofluoroethylene|fluoroethylene http://purl.obolibrary.org/obo/CHEBI_51314 3_STAR CHEBI:51315 biolink:ChemicalSubstance iodoethene Gmelin:793466|Beilstein:1731578|CAS:593-66-8|CAS:593-66-8 chebi.json 1-iodoethylene|vinyl iodide|iodoethylene|iodoethene http://purl.obolibrary.org/obo/CHEBI_51315 3_STAR CHEBI:26374 biolink:ChemicalSubstance pterin KEGG:C00715|CAS:2236-60-4 chebi.json 4-oxopterin|pteridoxamine|pterin http://purl.obolibrary.org/obo/CHEBI_26374 3_STAR CHEBI:26375 biolink:ChemicalSubstance pterins chebi.json http://purl.obolibrary.org/obo/CHEBI_26375 3_STAR CHEBI:26376 biolink:ChemicalSubstance 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate Beilstein:8512174 chebi.json 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate http://purl.obolibrary.org/obo/CHEBI_26376 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. Wikipedia:Pterocarpan|MetaCyc:PTEROCARPANS chebi.json isoflavonoid phytoalexin|isoflavonoid phytoalexins http://purl.obolibrary.org/obo/CHEBI_26377 3_STAR CHEBI:26370 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26370 CHEBI:26371 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26371 CHEBI:26372 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26372 CHEBI:26373 biolink:ChemicalSubstance pteridines chebi.json http://purl.obolibrary.org/obo/CHEBI_26373 3_STAR CHEBI:9519 biolink:ChemicalSubstance thebaine KEGG:C06173|PMID:20228795|KNApSAcK:C00001924|Beilstein:6489807|CAS:115-37-7|CAS:115-37-7|CAS:115-37-7|Beilstein:48337 chebi.json 3-O-methyl-oripavin|paramorphine|(5R,9R,13S)-4,5-epoxy-3,6-dimethoxy-9alpha-methyl-6,8-morphinadien|3,6-dimethoxy-17-methyl-6,7,8,14-tetradehydro-4,5alpha-epoxymorphinan|(5alpha)-6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan|4,5alpha-epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien|Thebaine http://purl.obolibrary.org/obo/CHEBI_9519 3_STAR CHEBI:26380 biolink:ChemicalSubstance pteroylglutamyl group chebi.json folyl group|N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}benzoyl)-gamma-L-glutamyl http://purl.obolibrary.org/obo/CHEBI_26380 3_STAR CHEBI:9515 biolink:ChemicalSubstance Thalsimine CAS:5525-36-0|KEGG:C09661|KNApSAcK:C00001923 chebi.json Thalsimine http://purl.obolibrary.org/obo/CHEBI_9515 2_STAR CHEBI:9516 biolink:ChemicalSubstance thapsigargin An organic heterotricyclic compound that is a hexa-oxygenated 6,7-guaianolide isolated fron the roots of Thapsia garganica L., Apiaceae. A potent skin irritant, it is used in traditional medicine as a counter-irritant. Thapsigargin inhibits Ca(2+)-transporting ATPase mediated uptake of calcium ions into sarcoplasmic reticulum and is used in experimentation examining the impacts of increasing cytosolic calcium concentrations. KEGG:C09561|Reaxys:4649293|PMID:16874404|CAS:67526-95-8|Wikipedia:Thapsigargin|PMID:20357004|PMID:9014219|PMID:10477042|Beilstein:4649293|LIPID_MAPS_instance:LMPR0103410001|PMID:12410314|KNApSAcK:C00003375|PMID:17825049|PDBeChem:TG1|PMID:24598360 chebi.json Tg|(3S,3aR,4S,6S,6aR,7S,8S,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-8-{[(2Z)-2-methylbut-2-enoyl]oxy}-2-oxo-2,3,3a,4,5,6,6a,7,8,9b-decahydroazuleno[4,5-b]furan-7-yl octanoate|Thapsigargin|thapsigargine|octanoic acid {3S-[3alpha,3abeta,4alpha,6beta,6abeta,7beta,8alpha(Z),9balpha]}-6-(acetoxy)-2,3,3a,4,5,6,6a,7,8,9b-decahydro-3,3a-dihydroxy-3,6,9-trimethyl-8-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-4-(1-oxobutoxy)-azuleno[4,5-b]furan-7-yl ester http://purl.obolibrary.org/obo/CHEBI_9516 3_STAR CHEBI:9517 biolink:ChemicalSubstance Theasaponin KNApSAcK:C00003556|KEGG:C08986|CAS:11055-93-9 chebi.json Theasaponin http://purl.obolibrary.org/obo/CHEBI_9517 2_STAR CHEBI:9518 biolink:ChemicalSubstance Theasinensin A HMDB:HMDB0038360|CAS:89064-31-3|KEGG:C09972|KNApSAcK:C00001010 chebi.json Theasinensin A http://purl.obolibrary.org/obo/CHEBI_9518 2_STAR CHEBI:9511 biolink:ChemicalSubstance Thalicsessine KEGG:C08714|KNApSAcK:C00001670|CAS:113807-86-6 chebi.json Thalicsessine http://purl.obolibrary.org/obo/CHEBI_9511 2_STAR CHEBI:170390 biolink:ChemicalSubstance PA(22:2(13Z,16Z)/16:1(9Z)) LIPID_MAPS_instance:LMGP10010762|Chemspider:74877040|HMDB:HMDB0115300 chebi.json [(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170390 2_STAR CHEBI:9512 biolink:ChemicalSubstance Thalidasine KNApSAcK:C00001921|KEGG:C09656|CAS:16623-56-6 chebi.json Thalidasine http://purl.obolibrary.org/obo/CHEBI_9512 2_STAR CHEBI:170391 biolink:ChemicalSubstance TG(20:2n6/18:1(11Z)/18:3(9Z,12Z,15Z)) HMDB:HMDB0053387|Chemspider:59662104 chebi.json [(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170391 2_STAR CHEBI:9513 biolink:ChemicalSubstance thalidomide A racemate comprising equimolar amounts of R- and S-thalidomide. PMID:8469046|CAS:50-35-1|PMID:18925849|KEGG:D00754|PMID:2694291|Patent:WO2013100657|KEGG:C07910|Patent:GB768821|Reaxys:30233|CAS:50-35-1|PMID:17449064|PMID:11803357|CAS:50-35-1|PMID:21207098|Patent:US2012142734|HMDB:HMDB0015175|DrugBank:DB01041|Wikipedia:Thalidomide|PMID:11349879|LINCS:LSM-1914|PMID:12724820|PMID:14689682 chebi.json N-(2,6-dioxo-3-piperidyl)phthalimide|alpha-N-phthalylglutaramide|thalidomidum|Talimol|Thalidomide|alpha-phthalimidoglutarimide|(+-)-N-(2,6-dioxo-3-piperidyl)phthalimide|(+-)-thalidomide|2,6-dioxo-3-phthalimidopiperidine|K-17|thalidomide|Distaval|rac-2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione|talidomida|3-phthalimidoglutarimide|N-phthalylglutamic acid imide|Sedalis|N-phthaloylglutamimide|alpha-(N-phthalimido)glutarimide|N-Phthalyl-glutaminsaeure-imid|Softenon|1,3-dioxo-2-(2,6-dioxopiperidin-3-yl)isoindoline http://purl.obolibrary.org/obo/CHEBI_9513 3_STAR CHEBI:51310 biolink:ChemicalSubstance futalosine KEGG:C16999 chebi.json 3-{3-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]propanoyl}benzoic acid http://purl.obolibrary.org/obo/CHEBI_51310 3_STAR CHEBI:170392 biolink:ChemicalSubstance PA(20:1(11Z)/18:2(9Z,12Z)) LIPID_MAPS_instance:LMGP10010539|Chemspider:74876841|HMDB:HMDB0115099 chebi.json [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170392 2_STAR CHEBI:51311 biolink:ChemicalSubstance bromoethene Gmelin:25458|CAS:593-60-2|CAS:593-60-2|CAS:593-60-2|Beilstein:1361370|KEGG:C19184 chebi.json bromoethylene|bromure de vinyle|vinyl bromide|bromoethene|1-bromoethylene|Vinylbromid|monobromoethylene|C2H3Br http://purl.obolibrary.org/obo/CHEBI_51311 3_STAR CHEBI:9514 biolink:ChemicalSubstance Thalmine KNApSAcK:C00001922|CAS:7682-65-7|KEGG:C09659|KNApSAcK:C00027494 chebi.json Thalmine http://purl.obolibrary.org/obo/CHEBI_9514 2_STAR CHEBI:170393 biolink:ChemicalSubstance TG(18:3(6Z,9Z,12Z)/18:1(9Z)/20:2n6) Chemspider:59661732|HMDB:HMDB0052986 chebi.json [(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170393 2_STAR CHEBI:170394 biolink:ChemicalSubstance PA(20:0/18:3(9Z,12Z,15Z)) HMDB:HMDB0115072|LIPID_MAPS_instance:LMGP10010517|Chemspider:74876815 chebi.json [(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-phosphonooxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170394 2_STAR CHEBI:170395 biolink:ChemicalSubstance TG(18:3(6Z,9Z,12Z)/18:1(11Z)/20:2n6) HMDB:HMDB0052972|Chemspider:59661719 chebi.json [(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170395 2_STAR CHEBI:170396 biolink:ChemicalSubstance PA(20:0/18:3(6Z,9Z,12Z)) HMDB:HMDB0115071|LIPID_MAPS_instance:LMGP10010516|Chemspider:74876814 chebi.json [(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170396 2_STAR CHEBI:9510 biolink:ChemicalSubstance Thalicoside A CAS:93208-45-8|KNApSAcK:C00003555|KEGG:C08985 chebi.json Thalicoside A http://purl.obolibrary.org/obo/CHEBI_9510 2_STAR CHEBI:170397 biolink:ChemicalSubstance TG(18:3(6Z,9Z,12Z)/16:1(9Z)/22:2(13Z,16Z)) HMDB:HMDB0052961|Chemspider:59661709 chebi.json [(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170397 2_STAR CHEBI:26349 biolink:ChemicalSubstance proteochondroitin sulfate chebi.json http://purl.obolibrary.org/obo/CHEBI_26349 1_STAR CHEBI:51305 biolink:ChemicalSubstance acene ester Members of the class of acenes containing ester groups. chebi.json acene esters http://purl.obolibrary.org/obo/CHEBI_51305 3_STAR CHEBI:9570 biolink:ChemicalSubstance Thiotepa KEGG:D00583|Drug_Central:2638|LINCS:LSM-2194|HMDB:HMDB0015576|CAS:52-24-4|KEGG:C07641 chebi.json triethylenethiophosphortriamide|tespamin|tespamine|phosphorothioic acid triethylenetriamide|tepadina|thio-tepa|thiophosphamide|oncotepa|Thiotepa http://purl.obolibrary.org/obo/CHEBI_9570 2_STAR CHEBI:51306 biolink:ChemicalSubstance anthracene-9,10-diol diacetate Beilstein:2335936|CAS:604-66-0 chebi.json 9,10-anthradiol, diacetate|anthrahydroquinone diacetate|anthracene-9,10-diyl diacetate|9,10-anthracenediol, diacetate|9,10-diacetoxyanthracene http://purl.obolibrary.org/obo/CHEBI_51306 3_STAR CHEBI:9571 biolink:ChemicalSubstance Thiothixene CAS:3313-26-6|HMDB:HMDB0015560|KEGG:D00374|Drug_Central:2639|CAS:5591-45-7 chebi.json cis-Thiothixene|Tiotixene|thiothixene HCl|Thiothixene|Navane (TN)|thiothixene hydrochloride http://purl.obolibrary.org/obo/CHEBI_9571 2_STAR CHEBI:51307 biolink:ChemicalSubstance diester A diester is a compound containing two ester groups. chebi.json diesters|diester http://purl.obolibrary.org/obo/CHEBI_51307 3_STAR CHEBI:9572 biolink:ChemicalSubstance Thiourocanic acid KEGG:C05571 chebi.json Thiourocanic acid http://purl.obolibrary.org/obo/CHEBI_9572 2_STAR CHEBI:51308 biolink:ChemicalSubstance dinitrile A dinitrile is a compound containing two nitrile groups. chebi.json dinitrile|dinitriles http://purl.obolibrary.org/obo/CHEBI_51308 3_STAR CHEBI:26345 biolink:ChemicalSubstance prostaglandins I chebi.json PGI http://purl.obolibrary.org/obo/CHEBI_26345 3_STAR CHEBI:51301 biolink:ChemicalSubstance acene-9,10-dinitrile Any acene dinitrile carrying cyano groups at positions 9 and 10. chebi.json acene-9,10-dinitriles|acene-9,10-dicarbonitrile|9,10-dicyanoacenes http://purl.obolibrary.org/obo/CHEBI_51301 3_STAR CHEBI:26346 biolink:ChemicalSubstance prostaglandins J chebi.json PGJ http://purl.obolibrary.org/obo/CHEBI_26346 3_STAR CHEBI:51302 biolink:ChemicalSubstance anthracene-9,10-dinitrile An anthracenedinitrile carrying cyano groups at positions 9 and 10. Reaxys:1646384|CAS:1217-45-4|CAS:1217-45-4|Gmelin:1224537|Beilstein:1646384|PMID:20661499 chebi.json 9,10-anthracenedicarbonitrile|anthracene-9,10-dicarbonitrile|9,10-dicyanoanthracene|9,10-Dicyanoanthracen http://purl.obolibrary.org/obo/CHEBI_51302 3_STAR CHEBI:26347 biolink:ChemicalSubstance prostanoid The family of natural prostaglandins and prostaglandin-like compounds including prostacyclins and thromboxanes. chebi.json prostanoid|prostanoids|prostanoids http://purl.obolibrary.org/obo/CHEBI_26347 3_STAR CHEBI:51303 biolink:ChemicalSubstance anthracenedinitrile chebi.json anthracenedicarbonitrile http://purl.obolibrary.org/obo/CHEBI_51303 3_STAR CHEBI:51304 biolink:ChemicalSubstance acene diester Acenes containing two ester groups. chebi.json acene-diesters|acene diester|acene diesters http://purl.obolibrary.org/obo/CHEBI_51304 3_STAR CHEBI:26348 biolink:ChemicalSubstance prosthetic group A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity. chebi.json prosthetic group|groupe prosthetique|prosthetic groups http://purl.obolibrary.org/obo/CHEBI_26348 3_STAR CHEBI:26343 biolink:ChemicalSubstance prostaglandins G chebi.json PGG http://purl.obolibrary.org/obo/CHEBI_26343 3_STAR CHEBI:26344 biolink:ChemicalSubstance prostaglandins H chebi.json PGH http://purl.obolibrary.org/obo/CHEBI_26344 3_STAR CHEBI:51309 biolink:ChemicalSubstance N(2)-succinyl-L-citrulline The N(2)-succinoyl derivative of L-citrulline. KEGG:C18048 chebi.json N-succinyl-L-citrulline|N(5)-carbamoyl-N(2)-(3-carboxypropanoyl)-L-ornithine|N(5)-carbamoyl-N(2)-(3-carboxylatopropanoyl)-L-ornithinate http://purl.obolibrary.org/obo/CHEBI_51309 3_STAR CHEBI:26340 biolink:ChemicalSubstance prostaglandins F chebi.json PGF http://purl.obolibrary.org/obo/CHEBI_26340 3_STAR CHEBI:9566 biolink:ChemicalSubstance thioridazine A phenothiazine derivative having a methylsulfanyl subsitituent at the 2-position and a (1-methylpiperidin-2-yl)ethyl] group at the N-10 position. LINCS:LSM-1863|HMDB:HMDB0014817|PMID:1650428|PMID:19747949|Reaxys:94457|PMID:10796547|PMID:11686961|Drug_Central:2637|PMID:17876580|PMID:26956010|PMID:9352572|CAS:50-52-2|DrugBank:DB00679|Wikipedia:Thioridazine|PMID:20825390|PMID:17764469|PMID:27023487|Beilstein:94457|PMID:27068340|KEGG:D00373 chebi.json Sonapax|Mellerets|3-Methylmercapto-N-(2'-(N-methyl-2-piperidyl)ethyl)phenothiazine|thioridazine|Mellaril|tioridazina|10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine|Melleril|Meleril|Malloryl|Mallorol|Thioridazin|2-Methylmercapto-10-(2-(N-methyl-2-piperidyl)ethyl)phenothiazine|Mellerette|10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfanyl-phenothiazine|thioridazinum|Orsanil|Mellaril-S http://purl.obolibrary.org/obo/CHEBI_9566 3_STAR CHEBI:9567 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9567 CHEBI:9568 biolink:ChemicalSubstance Thiorphan KEGG:C01619|CAS:76721-89-6|LINCS:LSM-1652 chebi.json Thiorphan http://purl.obolibrary.org/obo/CHEBI_9568 2_STAR CHEBI:51300 biolink:ChemicalSubstance anthracene-2,3-dinitrile Beilstein:7874660 chebi.json anthracene-2,3-dicarbonitrile http://purl.obolibrary.org/obo/CHEBI_51300 3_STAR CHEBI:9569 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9569 CHEBI:9562 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9562 CHEBI:9563 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9563 CHEBI:9564 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9564 CHEBI:9565 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9565 CHEBI:9580 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9580 CHEBI:9581 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9581 CHEBI:9582 biolink:ChemicalSubstance thymonin A trimethoxyflavone that is flavone substituted by methoxy groups at positions 7, 8 and 3' and hydroxy groups at positions 5, 6 and 4'. CAS:76844-67-2|KNApSAcK:C00003931|LIPID_MAPS_instance:LMPK12111474|PMID:22155596|PMID:20521531|PMID:12776552|CBA:327732|HMDB:HMDB0037334|Reaxys:5149201|KEGG:C10191 chebi.json 5,6,4'-trihydroxy-7,8,3'-trimethoxyflavone|Mucroflavone B|5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxy-4H-1-benzopyran-4-one|Majoranin|5,6-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7,8-dimethoxy-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_9582 3_STAR CHEBI:9583 biolink:ChemicalSubstance Thymyl acetate CAS:528-79-0|KEGG:C09909|KNApSAcK:C00003065 chebi.json Thymyl acetate http://purl.obolibrary.org/obo/CHEBI_9583 2_STAR CHEBI:26356 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26356 CHEBI:26358 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26358 CHEBI:26359 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26359 CHEBI:26352 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26352 CHEBI:26353 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26353 CHEBI:26354 biolink:ChemicalSubstance protochlorophyllides chebi.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. Wikipedia:Heme_B|PMID:20546754|CAS:14875-96-8|PDB:3KS0|PDBeChem:HEM|COMe:MOL000013|ECMDB:ECMDB03178|PMID:29286160|KEGG:C00032 chebi.json (protoporphyrinato)iron|heme b|Haem|heme|Heme B|Protoheme IX|(7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropanoato)iron|protoheme|Protoheme|[3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-dipropanoato(2-)]iron|haem b|PROTOPORPHYRIN IX CONTAINING FE http://purl.obolibrary.org/obo/CHEBI_26355 3_STAR CHEBI:26351 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26351 CHEBI:9577 biolink:ChemicalSubstance (-)-alpha-thujone The (1S,4R,5R)-stereoisomer of alpha-thujone. PMID:24486357|CAS:546-80-5|KNApSAcK:C00003064|CAS:546-80-5|MetaCyc:CPD-14067|PMID:17260254|KEGG:C09906|Beilstein:4660369|Reaxys:4660369|LIPID_MAPS_instance:LMPR0102120019|KNApSAcK:C00000804|CAS:546-80-5 chebi.json [1S-(1alpha,4alpha,5alpha)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one|Thujone|(1S,4R,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one|Thujon|(1S,4R,5R)-(-)-3-thujanone|(1S,4R,5R)-thujan-3-one|(1S,4R,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one|(-)-3-thujanone|l-thujone|alpha-thujone http://purl.obolibrary.org/obo/CHEBI_9577 3_STAR CHEBI:9578 biolink:ChemicalSubstance (-)-thujopsene A thujopsene that has (S,S,S)-configuration. CAS:470-40-6|Reaxys:5730323|KNApSAcK:C00003194|CAS:470-40-6|KEGG:C09740 chebi.json (-)-widdrene|Thujopsene|(1aS,4aS,8aS)-2,4a,8,8-tetramethyl-1,1a,4,4a,5,6,7,8-octahydrocyclopropa[d]naphthalene http://purl.obolibrary.org/obo/CHEBI_9578 3_STAR CHEBI:9579 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9579 CHEBI:9573 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9573 CHEBI:9574 biolink:ChemicalSubstance Thrombin KEGG:D00090|CAS:9002-04-4|KEGG:C00752 chebi.json Thrombin http://purl.obolibrary.org/obo/CHEBI_9574 2_STAR CHEBI:9575 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9575 CHEBI:9576 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9576 CHEBI:26327 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26327 CHEBI:26328 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26328 CHEBI:26329 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26329 CHEBI:9550 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9550 CHEBI:26323 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26323 CHEBI:26324 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26324 CHEBI:26325 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26325 CHEBI:26326 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26326 CHEBI:26320 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26320 CHEBI:26321 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26321 CHEBI:26322 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26322 CHEBI:9548 biolink:ChemicalSubstance Thiobinupharidine KEGG:C09990|CAS:30343-72-7|KNApSAcK:C00001985 chebi.json Thiobinupharidine http://purl.obolibrary.org/obo/CHEBI_9548 2_STAR CHEBI:9549 biolink:ChemicalSubstance Thiocarbohydrazide CAS:2231-57-4|KEGG:C11214 chebi.json Thiocarbohydrazide|1,3-Diamino-2-thiourea http://purl.obolibrary.org/obo/CHEBI_9549 2_STAR CHEBI:9544 biolink:ChemicalSubstance thiethylperazine A member of the class of phenothiazines that is perazine substituted by a ethylsulfanyl group at position 2. KEGG:D02354|KEGG:C07132|Wikipedia:Thiethylperazine|CAS:1420-55-9|PMID:23243946|DrugBank:DB00372|Reaxys:52127|PMID:15469457|LINCS:LSM-3556|Drug_Central:2630|HMDB:HMDB0014516|Beilstein:52127 chebi.json 2-(ethylsulfanyl)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine|3-Ethylmercapto-10-(1'-methylpiperazinyl-4'-propyl)phenothiazine|Thiethylperazine|tietilperazina|thiethylperazinum|Ethylthioperazine|2-(ethylthio)-10-[3-(4-methylpiperazin-1-yl)propyl]-10H-phenothiazine|thiethylperazine http://purl.obolibrary.org/obo/CHEBI_9544 3_STAR CHEBI:9545 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9545 CHEBI:9546 biolink:ChemicalSubstance thimerosal An alkylmercury compound (approximately 49% mercury by weight) used as an antiseptic and antifungal agent. PMID:22366633|PMID:23843785|PMID:23401210|PMID:23145070|Gmelin:1677155|CAS:54-64-8|VSDB:3062|PPDB:3062|PMID:23965928|PMID:23992327|KEGG:D00864|PMID:23223227|Beilstein:8169555|PMID:23554557|PMID:23282150|PMID:18837732|PMID:23949514|PMID:21785120|PMID:21616561|PMID:25042713|PMID:22811707|PMID:22015977|Reaxys:8169555|PMID:22658806 chebi.json ethylmercurithiosalicylate sodium|tiomersal|sodium merthiolate|o-(ethylmercurithio)benzoic acid sodium salt|Merthiolate|thiomersal|ethylmercurithiosalicylic acid sodium salt|sodium ethylmercurithiosalicylate|Thiomersal|thiomersalum|sodium ethyl[2-(sulfanyl-kappaS)benzoato(2-)]mercurate(1-)|sodium [(2-carboxylatophenyl)sulfanyl](ethyl)mercurate(1-)|thiomersalate|ethyl(2-mercaptobenzoato-S)mercury sodium salt|Thimerosal|[(o-carboxyphenyl)thio]ethylmercury sodium salt|mercurothiolate http://purl.obolibrary.org/obo/CHEBI_9546 3_STAR CHEBI:9547 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9547 CHEBI:9540 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9540 CHEBI:9541 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9541 CHEBI:9542 biolink:ChemicalSubstance Thienamycin CAS:59995-64-1|KEGG:C06664|KNApSAcK:C00018212 chebi.json Thienamycin http://purl.obolibrary.org/obo/CHEBI_9542 2_STAR CHEBI:9543 biolink:ChemicalSubstance thienodolin An indole alkaloid that is a thienoindole ring with carboxamide group and chlorine substituents at positions 2 and 6 respectively. PMID:22816309|KEGG:C09245|CAS:149127-27-5|KNApSAcK:C00001775|Reaxys:6370435 chebi.json 6-chloro-8H-thieno[2,3-b]indole-2-carboxamide http://purl.obolibrary.org/obo/CHEBI_9543 3_STAR CHEBI:26338 biolink:ChemicalSubstance prostaglandins E chebi.json PGE http://purl.obolibrary.org/obo/CHEBI_26338 3_STAR CHEBI:9560 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9560 CHEBI:9561 biolink:ChemicalSubstance thiopental sodium An organic sodium salt having thiopental(1-) as the counter-ion. CAS:71-73-8|Patent:US2876225|DrugBank:DB00599|KEGG:D00714|Patent:US2153729|Wikipedia:Thiopental|CAS:71-73-8|Reaxys:5198928 chebi.json thiopental sodium|sodium 5-ethyl-4,6-dioxo-5-(pentan-2-yl)-1,4,5,6-tetrahydropyrimidine-2-thiolate|sodium thiopental|monosodium 5-ethyl-5-(1-methylbutyl) thiobarbiturate|thiopental sodique|sodium (+-)-5-ethyl-5-(1-methylbutyl)-2-thiobarbiturate|sodium 5-ethyl-5-(1-methylbutyl)-2-thiobarbiturate|sodium thiopentobarbital|tiopental sodico|thiopentalum natricum|sodium pentothiobarbital|sodium pentothal|sodium thiopentone|thiopentone sodium|penthiobarbital sodium http://purl.obolibrary.org/obo/CHEBI_9561 3_STAR CHEBI:26334 biolink:ChemicalSubstance prostaglandins A chebi.json PGA http://purl.obolibrary.org/obo/CHEBI_26334 3_STAR CHEBI:26335 biolink:ChemicalSubstance prostaglandins B chebi.json PGB http://purl.obolibrary.org/obo/CHEBI_26335 3_STAR CHEBI:26336 biolink:ChemicalSubstance prostaglandins C chebi.json PGC http://purl.obolibrary.org/obo/CHEBI_26336 3_STAR CHEBI:26337 biolink:ChemicalSubstance prostaglandins D chebi.json PGD http://purl.obolibrary.org/obo/CHEBI_26337 3_STAR CHEBI:26330 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26330 CHEBI:26331 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26331 CHEBI:26332 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26332 CHEBI:26333 biolink:ChemicalSubstance prostaglandin Naturally occurring compounds derived from the parent C20 acid, prostanoic acid. LIPID_MAPS_class:LMFA0301|CAS:11000-26-3 chebi.json prostaglandins|prostaglandins|prostaglandin http://purl.obolibrary.org/obo/CHEBI_26333 3_STAR CHEBI:65902 biolink:ChemicalSubstance fomitopinic acid A A tetracyclic triterpenoid that is lanost-8-ene substituted by hydroxy groups at positions 24 and 25 , a carboxylic acid at position 21 and an oxo grouo at position 3 (the 24S stereoisomer). Isolated from the fruit bodies of Fomitopsis pinicola, it exhibits antiinflammatory activity against cylooxygenase-1 (COX-1) and cylooxygenase-2 (COX-2). Reaxys:10224261|PMID:15679320 chebi.json (24S)-24,25-dihydroxy-3-oxolanost-8-en-21-oic acid http://purl.obolibrary.org/obo/CHEBI_65902 3_STAR CHEBI:65903 biolink:ChemicalSubstance fomitoside E A triterpene glycoside that consists of lanost-8,23-dien-21-oic acid substituted at by a alpha-acetyloxy group at position 3, a hydroxy group at position 25 and a beta-D-xylopyranosyl moiety at position 21 via a glycosidic linkage. Isolated from the fruit body of Fomitopsis pinicola, it exhibits inhibitory activity against COX-1 and COX-2. Reaxys:10231343|PMID:15679320 chebi.json 25-hydroxy-3alpha-acetoxylanost-8,23-dien-21-oicacid 21-O-beta-D-xylopyranoside|1-O-[(3alpha,23E)-3-acetoxy-25-hydroxy-21-oxolanosta-8,23-dien-21-yl]-beta-D-xylopyranose http://purl.obolibrary.org/obo/CHEBI_65903 3_STAR CHEBI:65904 biolink:ChemicalSubstance fomitoside F A triterpene glycoside that consists of lanost-8,24-dien-21-oic acid substituted at by a alpha-acetyloxy group at position 3 and a beta-D-xylopyranosyl moiety at position 21 via a glycosidic linkage. Isolated from the fruit body of Fomitopsis pinicola, it exhibits inhibitory activity against COX-1 and COX-2. Reaxys:10230349|PMID:15679320 chebi.json 3alpha-acetoxylanosta-8,24-dien-21-oic acid 21-O-beta-D-xylopyranoside|1-O-[(3alpha)-3-acetoxy-21-oxolanosta-8,24-dien-21-yl]-beta-D-xylopyranose http://purl.obolibrary.org/obo/CHEBI_65904 3_STAR CHEBI:65905 biolink:ChemicalSubstance (1S,3S,4R,7S,8S,11S,12S,13S,15R,20R)-7-formamido-20-isocyanoisocycloamphilectane A tetracyclic diterpenoid that is hexadecahydropyrene substituted by isocyano group at position 8, methyl groups at positions 1, 4, 7 and 8 and a formamido group at position 1. Isolated from the tropical marine sponge Cymbastela hooperi, it exhibits antiplasmodial activity. Reaxys:19756168|PMID:19199790 chebi.json N-[(1S,3aR,4S,5aS,7R,8R,8aS,10aS,10bS,10cS)-8-isocyano-1,4,7,8-tetramethylhexadecahydropyren-1-yl]formamide http://purl.obolibrary.org/obo/CHEBI_65905 3_STAR CHEBI:9559 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9559 CHEBI:65900 biolink:ChemicalSubstance fleephilone A organic heterotetracyclic compound isolated from the fermentation broth of Trichoderma harzianum and exhibits anti-HIV activity. PMID:8968392|CAS:183239-76-1 chebi.json (2aR,3S,10cR)-3-hydroxy-8-methyl-7,9-dioxo-1-[(1E,3E)-penta-1,3-dien-1-yl]-2a,4,5,8,9,10c-hexahydro-3H,7H-2-oxa-5a-azaaceanthrylen-8-yl 3-hydroxybutanoate http://purl.obolibrary.org/obo/CHEBI_65900 3_STAR CHEBI:65901 biolink:ChemicalSubstance floribundasaponin A A spirostanyl glycoside that is pennogenin attached to a beta-D-glucopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from the stem bark of Dracaena mannii, it exhibits anti-inflammatory activity. PMID:18481024|Reaxys:5387054 chebi.json pennogenin-3-O-beta-D-glucopyranoside|(3beta,25R)-17-hydroxyspirost-5-en-3-yl beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_65901 3_STAR CHEBI:9555 biolink:ChemicalSubstance tioguanine A 2-aminopurine that is the 6-thiono derivative of 2-amino-1,9-dihydro-6H-purine. Incorporates into DNA and inhibits synthesis. Used in the treatment of leukaemia. CAS:154-42-7|PMID:28166217|PMID:25542975|PMID:23393198|KEGG:D08603|PMID:22245861|MetaCyc:CPD-5721|Wikipedia:Thioguanine|PMID:23377281|PMID:21803983|PMID:23377192|LINCS:LSM-6723|PMID:23261807|PMID:22280519|KNApSAcK:C00018807|DrugBank:DB00352|PMID:22261533|PMID:22563779|KEGG:C07648|Reaxys:1074099|PMID:22983983|CAS:154-42-7|PDBeChem:DX4|PMID:23259153|PMID:22646133|Drug_Central:2632|PMID:22178190|PMID:22822082 chebi.json tioguanine|2-amino-1,9-dihydropurine-6-thione|tioguanina|2-Aminopurine-6-thiol|6-TG|2-Amino-6-purinethiol|2-Amino-1,7-dihydro-6H-purine-6-thione|2-Aminopurin-6-thiol|2-amino-1,9-dihydro-6H-purine-6-thione|tioguanine|Thioguanine|6-Thioguanine|TG|ThG|2-Amino-6-mercaptopurine|6-Mercaptoguanine|6-thioguanine|2-Amino 6MP|2-Amino-6-merkaptopurin|2-Aminopurine-6(1H)-thione|Tioguanin|6-Mercapto-2-aminopurine|tioguaninum http://purl.obolibrary.org/obo/CHEBI_9555 3_STAR CHEBI:9556 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9556 CHEBI:9558 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9558 CHEBI:65906 biolink:ChemicalSubstance formobactin A cyclic hydroxamic acid derivative and antibiotic isolated from Nocardia sp. strain ND20. It exerts an inhibitory effect on lipid peroxidation and also has a potent protecting effect on neuronal cells. PMID:8931715 chebi.json 1-[(1-hydroxy-2-oxoazepan-3-yl)amino]-2,2-dimethyl-1-oxododecan-3-yl N(6)-formyl-N(6)-hydroxy-N(2)-{[2-(2-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]carbonyl}-L-lysinate http://purl.obolibrary.org/obo/CHEBI_65906 3_STAR CHEBI:9551 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9551 CHEBI:65907 biolink:ChemicalSubstance forskoditerpenoside C A diterpene glycoside that is labd-14-en-11-one substituted by beta-acetoxy group at position 6, an epoxy group between positions 8 and 13, a beta-hydroxy group at position 7 and a beta-D-glucopyranosyloxy group at position 1 (the 1alpha stereoisomer). Isolated from the whole plant of Coleus forskohlii, it shows relaxative effects on isolated guinea pig tracheal spirals in vitro. PMID:18175974|Reaxys:15762063 chebi.json (3R,4aS,5S,6S,6aS,10S,10aS,10bR)-10-(beta-D-glucopyranosyloxy)-5-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl acetate|6beta-acetoxy-7beta-hydroxy-8,13-epoxy-labd-14-en-11-one-1alpha-O-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_65907 3_STAR CHEBI:9552 biolink:ChemicalSubstance Thiogalactoside KEGG:C02327 chebi.json Thiogalactoside http://purl.obolibrary.org/obo/CHEBI_9552 2_STAR CHEBI:65908 biolink:ChemicalSubstance forskoditerpenoside D A diterpene glycoside that is labd-14-en-11-one substituted by beta-acetoxy groups at positions 6 and 7, an epoxy group between positions 8 and 13 and a beta-D-glucopyranosyloxy group at position 1 (the 1alpha stereoisomer). Isolated from the whole plant of Coleus forskohlii, it shows relaxative effects on isolated guinea pig tracheal spirals in vitro. PMID:18175974|Reaxys:15762064 chebi.json (3R,4aS,5S,6S,6aS,10S,10aS,10bR)-10-(beta-D-glucopyranosyloxy)-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromene-5,6-diyl diacetate|6beta,7beta-diacetoxy-8,13-epoxy-labd-14-en-11-one-1alpha-O-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_65908 3_STAR CHEBI:9553 biolink:ChemicalSubstance thioglucoside KEGG:C02085 chebi.json Thioglucoside|thioglucosides http://purl.obolibrary.org/obo/CHEBI_9553 2_STAR CHEBI:65909 biolink:ChemicalSubstance forskoditerpenoside E A diterpene glycoside that is labd-14-en-11-one substituted by beta-acetoxy group at position 6, an epoxy group between positions 8 and 13 and a beta-D-glucopyranosyloxy group at position 1 (the 1alpha stereoisomer). Isolated from the whole plant of Coleus forskohlii, it shows relaxative effects on isolated guinea pig tracheal spirals in vitro. PMID:18175974|Reaxys:15762062 chebi.json (3R,4aR,6R,6aS,10S,10aS,10bR)-10-(beta-D-glucopyranosyloxy)-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl acetate|6beta-acetoxy-8,13-epoxy-labd-14-en-11-one-1alpha-O-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_65909 3_STAR CHEBI:9554 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9554 CHEBI:170400 biolink:ChemicalSubstance PA(16:1(9Z)/22:2(13Z,16Z)) HMDB:HMDB0114866|LIPID_MAPS_instance:LMGP10010222|Chemspider:74876630 chebi.json [(2R)-1-[(Z)-hexadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170400 2_STAR CHEBI:170401 biolink:ChemicalSubstance TG(18:3(6Z,9Z,12Z)/20:0/18:3(6Z,9Z,12Z)) HMDB:HMDB0052901|Chemspider:30778103 chebi.json 1,3-bis[[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy]propan-2-yl icosanoate http://purl.obolibrary.org/obo/CHEBI_170401 2_STAR CHEBI:170402 biolink:ChemicalSubstance PA(20:3(8Z,11Z,14Z)/18:0) Chemspider:74877304|HMDB:HMDB0115566|LIPID_MAPS_instance:LMGP10010598 chebi.json [(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170402 2_STAR CHEBI:170403 biolink:ChemicalSubstance TG(18:3(6Z,9Z,12Z)/18:0/20:3n6) Chemspider:59661643|HMDB:HMDB0052889 chebi.json [(2R)-2-octadecanoyloxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170403 2_STAR CHEBI:170404 biolink:ChemicalSubstance PA(18:3(6Z,9Z,12Z)/20:0) HMDB:HMDB0114985|LIPID_MAPS_instance:LMGP10010383|Chemspider:74876731 chebi.json [(2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropan-2-yl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170404 2_STAR CHEBI:170405 biolink:ChemicalSubstance TG(18:2(9Z,12Z)/20:2n6/18:2(9Z,12Z)) HMDB:HMDB0052651|Chemspider:59693770 chebi.json 1,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propan-2-yl (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170405 2_STAR CHEBI:170406 biolink:ChemicalSubstance PE(22:2(13Z,16Z)/14:0) LIPID_MAPS_instance:LMGP02011073|Chemspider:24768991|HMDB:HMDB0009547 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170406 2_STAR CHEBI:170407 biolink:ChemicalSubstance TG(18:2(9Z,12Z)/20:1(11Z)/18:3(9Z,12Z,15Z)) Chemspider:59661353|HMDB:HMDB0052569 chebi.json [(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170407 2_STAR CHEBI:170408 biolink:ChemicalSubstance PE(20:2(11Z,14Z)/16:0) Chemspider:24768737|HMDB:HMDB0009286|LIPID_MAPS_instance:LMGP02010877 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170408 2_STAR CHEBI:170409 biolink:ChemicalSubstance TG(18:2(9Z,12Z)/20:1(11Z)/18:3(6Z,9Z,12Z)) HMDB:HMDB0052562|Chemspider:59661347 chebi.json [(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170409 2_STAR CHEBI:99240 biolink:ChemicalSubstance 2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[1-oxo-2-(3-pyridinyl)ethyl]amino]-2-oxanyl]-N-(4-phenylphenyl)acetamide LINCS:LSM-10619 chebi.json http://purl.obolibrary.org/obo/CHEBI_99240 2_STAR CHEBI:99241 biolink:ChemicalSubstance 3-(2-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]urea LINCS:LSM-10620 chebi.json http://purl.obolibrary.org/obo/CHEBI_99241 2_STAR CHEBI:99242 biolink:ChemicalSubstance N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide LINCS:LSM-10621 chebi.json http://purl.obolibrary.org/obo/CHEBI_99242 2_STAR CHEBI:99243 biolink:ChemicalSubstance (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-N-[(3-methoxyphenyl)methyl]-4-(3-pyridin-4-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide LINCS:LSM-10622 chebi.json http://purl.obolibrary.org/obo/CHEBI_99243 2_STAR CHEBI:99244 biolink:ChemicalSubstance LSM-10623 LINCS:LSM-10623 chebi.json http://purl.obolibrary.org/obo/CHEBI_99244 2_STAR CHEBI:99245 biolink:ChemicalSubstance 2-[(1R,3S,4aR,9aS)-6-[[anilino(oxo)methyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester LINCS:LSM-10624 chebi.json http://purl.obolibrary.org/obo/CHEBI_99245 2_STAR CHEBI:99246 biolink:ChemicalSubstance (4R,7S,8R)-N-(3,5-dimethyl-4-isoxazolyl)-14-[[(3-fluoroanilino)-oxomethyl]amino]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide LINCS:LSM-10625 chebi.json http://purl.obolibrary.org/obo/CHEBI_99246 2_STAR CHEBI:99247 biolink:ChemicalSubstance N-[(1S,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide LINCS:LSM-10626 chebi.json http://purl.obolibrary.org/obo/CHEBI_99247 2_STAR CHEBI:99248 biolink:ChemicalSubstance 2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide LINCS:LSM-10627 chebi.json http://purl.obolibrary.org/obo/CHEBI_99248 2_STAR CHEBI:99249 biolink:ChemicalSubstance (4R,7S,8S)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide LINCS:LSM-10628 chebi.json http://purl.obolibrary.org/obo/CHEBI_99249 2_STAR CHEBI:145431 biolink:ChemicalSubstance indisulam A chloroindole that is 3-chloro-1H-indole substituted by a [(4-sulfamoylphenyl)sulfonyl]nitrilo group at position 7. It is a carbonic anhydrase inhibitor and a potential anti-cancer agent currently in clinical development. PMID:17285128|PMID:18637887|PMID:28302793|PMID:14684331|PMID:22349812|DrugBank:DB06370|PMID:12445024|PMID:12556221|PMID:12439332|PDBeChem:EF6|PMID:29660836|PMID:12351604|CAS:165668-41-7|KEGG:D04522|PMID:11677118 chebi.json indisulamum|N(1)-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide|E-7070|indisulam|N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide|N-(3-chloro-1H-indol-7-yl)-4-sulfamoylbenzenesulfonamide|E7070 http://purl.obolibrary.org/obo/CHEBI_145431 3_STAR CHEBI:99239 biolink:ChemicalSubstance N-[(3,4-dichlorophenyl)methyl]-2-[(2S,5S,6S)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide LINCS:LSM-10618 chebi.json http://purl.obolibrary.org/obo/CHEBI_99239 2_STAR CHEBI:170410 biolink:ChemicalSubstance PE(22:1(13Z)/14:1(9Z)) Chemspider:24768959|HMDB:HMDB0009515 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170410 2_STAR CHEBI:145432 biolink:ChemicalSubstance 1-O-[4-O-(3,4-dichlorobenzyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-(3,4-dichlorobenzyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PDBeChem:JU4|PMID:30556652 chebi.json N-[(2S,3S,4R)-1-({4-O-[(3,4-dichlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|N-[(2S,3S,4R)-1-({4-O-[(3,4-dichlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|N-{(2S,3S,4R)-1-[4-O-(3,4-dichlorobenzyl)-alpha-D-galactosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|N-{(2S,3S,4R)-1-[4-O-(3,4-dichlorobenzyl)-alpha-D-galactopyranosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|(2S,3S,4R)-1-[4-O-(3,4-dichlorobenzyl)-alpha-D-galactopyranosyloxy]-2-hexacosanoylaminooctadecane-3,4-diol http://purl.obolibrary.org/obo/CHEBI_145432 3_STAR CHEBI:145433 biolink:ChemicalSubstance 1-O-[4-O-(4-methylbenzyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-(4-methylbenzyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PDBeChem:JTJ|PMID:30556652 chebi.json N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(4-methylbenzyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide|N-[(2S,3S,4R)-3,4-dihydroxy-1-({4-O-[(4-methylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide|N-[(2S,3S,4R)-3,4-dihydroxy-1-({4-O-[(4-methylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide|N-{(2S,3S,4R)-1-[4-O-(4-methylbenzyl)-alpha-D-galactosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|(2S,3S,4R)-1-[4-O-(4-methylbenzyl)-alpha-D-galactopyranosyloxy]-2-hexacosanoylaminooctadecane-3,4-diol http://purl.obolibrary.org/obo/CHEBI_145433 3_STAR CHEBI:170411 biolink:ChemicalSubstance TG(18:2(9Z,12Z)/18:1(11Z)/20:3n6) Chemspider:59661328|HMDB:HMDB0052534 chebi.json [(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170411 2_STAR CHEBI:170412 biolink:ChemicalSubstance PE(18:2(9Z,12Z)/18:0) Chemspider:24768554|HMDB:HMDB0009090|LIPID_MAPS_instance:LMGP02011193 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropan-2-yl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170412 2_STAR CHEBI:145434 biolink:ChemicalSubstance oleoyl-sn-glycero-3-phosphoethanolamine zwitterion A lysophosphatidylethanolamine zwitterion in which the remaining acyl group (position not specified) contains an oleoyl chain. PMID:27758859 chebi.json (9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine|LPE (18:1n9) zwitterion|LPE 18:1(9Z) zwitterion|(9Z-octadecenoyl)-sn-glycero-3-phosphoethanolamine zwitterion http://purl.obolibrary.org/obo/CHEBI_145434 2_STAR CHEBI:145435 biolink:ChemicalSubstance CNDAC A pyrimidine 2'-deoxyribonucleoside that is 2'-deoxycytidine having a cyano group in the 2'-position. It is the active metabolite of the anti-cancer drug, sapacitabine which is currently in clinical development for the treatment of hematologic malignancies and solid tumors. PMID:22739266|CAS:135598-68-4|PMID:8611048|PMID:23049558|PMID:20587622|PMID:28802254|PMID:31501277|PMID:29189915|DrugBank:DB11667|PMID:27474148 chebi.json TAS-109|DFP10917|2'-cyano-2'-deoxy-1-(beta-D-arabinofuranosyl)cytosine|2'-C-cyano-2'-deoxy-1-beta-D-arabino-pentofuranosyl-cytosine|1-(2-deoxy-2-cyano-beta-D-arabinofuranosyl)cytosine|TAS 109|4-amino-1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)pyrimidin-2(1H)-one http://purl.obolibrary.org/obo/CHEBI_145435 3_STAR CHEBI:170413 biolink:ChemicalSubstance TG(18:2(9Z,12Z)/20:0/18:4(6Z,9Z,12Z,15Z)) HMDB:HMDB0052465|Chemspider:59661264 chebi.json [(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170413 2_STAR CHEBI:170414 biolink:ChemicalSubstance PE(18:1(9Z)/18:1(11Z)) HMDB:HMDB0009058|Chemspider:24768528 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170414 2_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 chebi.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:23008094|PMID:28089824|PMID:22420157|PMID:23609063|PMID:29858912|Patent:US2009258064|PMID:24904988|Patent:US7510710 chebi.json mitochondrial uncoupling protein inhibitor|mitochondrial uncoupling protein inhibitors|uncoupling protein inhibitors|UCP inhibitor|UCP inhibitors http://purl.obolibrary.org/obo/CHEBI_145437 3_STAR CHEBI:170415 biolink:ChemicalSubstance TG(18:2(9Z,12Z)/18:0/20:4(8Z,11Z,14Z,17Z)) Chemspider:59661253|HMDB:HMDB0052451 chebi.json [(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170415 2_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 chebi.json fusin antagonists|C-X-C motif chemokine receptor 4 antagonist|fusin antagonist|CD184 antagonist|chemokine (C-X-C motif) receptor 4 antagonist|C-X-C chemokine receptor type 4 antagonists|CD184 antagonists|CXCR-4 antagonists|C-X-C motif chemokine receptor 4 antagonists|CXCR-4 antagonist|chemokine (C-X-C motif) receptor 4 antagonists|CXCR4 antagonist|CXCR4 antagonists http://purl.obolibrary.org/obo/CHEBI_145438 3_STAR CHEBI:170416 biolink:ChemicalSubstance PE(18:1(11Z)/18:1(9Z)) Chemspider:24768499|HMDB:HMDB0009026 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170416 2_STAR CHEBI:170417 biolink:ChemicalSubstance TG(18:2(9Z,12Z)/18:0/20:4(5Z,8Z,11Z,14Z)) HMDB:HMDB0052445|Chemspider:59661248 chebi.json [(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170417 2_STAR CHEBI:170418 biolink:ChemicalSubstance TG(18:2(9Z,12Z)/16:0/22:4(7Z,10Z,13Z,16Z)) Chemspider:59661240|HMDB:HMDB0052432 chebi.json [(2S)-2-hexadecanoyloxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170418 2_STAR CHEBI:170419 biolink:ChemicalSubstance PE(16:1(9Z)/20:1(11Z)) LIPID_MAPS_instance:LMGP02010530|HMDB:HMDB0008966|Chemspider:24768452 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170419 2_STAR CHEBI:145430 biolink:ChemicalSubstance ivosidenib A tertiary carboxamide resulting from the formal condensation of the carboxy group of (2S)-1-(4-cyanopyridin-2-yl)-5-oxopyrrolidine-2-carboxylic acid with the secondary amino group of (2S)-2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-[(5-fluoropyridin-3-yl)amino]acetamide. It is approved by the FDA for the treatment of acute myeloid leukemia (AML) in patients with an isocitrate dehydrogenase-1 (IDH1) mutation. CAS:1448347-49-6|PMID:29860938|PMID:27245312|Wikipedia:Ivosidenib|PMID:29670690|PMID:29934313|PMID:30260155|PMID:30610623|PMID:30692099|PMID:30209701|PMID:30822797|PMID:31300360|PMID:30222290|DrugBank:DB14568|PMID:30093505|PMID:31011758|PMID:31382862|PMCID:PMC6217633|PMID:30231226|PMID:30260154|PMID:29925981|PMID:30758648|PMID:31028664|KEGG:D11090 chebi.json AG-120|ivosidenibum|Tibsovo|N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxo-L-prolinamide|(2S)-N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-N-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide|ivosidenib http://purl.obolibrary.org/obo/CHEBI_145430 3_STAR CHEBI:51290 biolink:ChemicalSubstance acene dialdehyde Acenes containing two aldehyde groups. chebi.json acene-dialdehydes|acene dialdehyde|acene dialdehydes http://purl.obolibrary.org/obo/CHEBI_51290 3_STAR CHEBI:51291 biolink:ChemicalSubstance acene aldehyde Acenes containing aldehyde groups. chebi.json acene-aldehydes|acene aldehyde|acene aldehydes http://purl.obolibrary.org/obo/CHEBI_51291 3_STAR CHEBI:51292 biolink:ChemicalSubstance acene-2,3-dialdehyde Acenes containing two aldehyde groups at the 2 and 3 positions. chebi.json acene-2,3-dicarbaldehyde|2,3-acene-dialdehydes|acene-2,3-dialdehydes|acene-2,3-dialdehyde http://purl.obolibrary.org/obo/CHEBI_51292 3_STAR CHEBI:99230 biolink:ChemicalSubstance N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-oxanecarboxamide LINCS:LSM-10609 chebi.json http://purl.obolibrary.org/obo/CHEBI_99230 2_STAR CHEBI:145439 biolink:ChemicalSubstance 1,2-dioleoyl-sn-glycero-3-diphosphate(3-) PMID:8380145 chebi.json DGPP(18:1(9Z)/18:1(9Z))(3-)|1,2-dioleoyl-sn-glycerol 3-pyrophosphate(3-)|1,2-di-(9Z-octadecenoyl)-sn-glycero-3-diphosphate|1,2-di-(9Z-octadecenoyl)-sn-glycero-3-diphosphate(3-) http://purl.obolibrary.org/obo/CHEBI_145439 2_STAR CHEBI:99231 biolink:ChemicalSubstance N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(4-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide LINCS:LSM-10610 chebi.json http://purl.obolibrary.org/obo/CHEBI_99231 2_STAR CHEBI:51297 biolink:ChemicalSubstance acene dinitrile Acenes containing two nitrile groups. chebi.json acene dinitrile|acene dinitriles|acene-dinitriles|dicyanoacenes http://purl.obolibrary.org/obo/CHEBI_51297 3_STAR CHEBI:99232 biolink:ChemicalSubstance N-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide LINCS:LSM-10611 chebi.json http://purl.obolibrary.org/obo/CHEBI_99232 2_STAR CHEBI:51298 biolink:ChemicalSubstance acene nitrile Acenes containing nitrile groups. chebi.json cyanoacenes|acene nitriles http://purl.obolibrary.org/obo/CHEBI_51298 3_STAR CHEBI:99233 biolink:ChemicalSubstance 2-[(2R,4aR,12aR)-8-(ethylcarbamoylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(1S)-1-phenylethyl]acetamide LINCS:LSM-10612 chebi.json http://purl.obolibrary.org/obo/CHEBI_99233 2_STAR CHEBI:51299 biolink:ChemicalSubstance acene-2,3-dinitrile Acenes containing two nitrile groups at the 2 and 3 positions. chebi.json 2,3-acene-dinitriles|acene-2,3-dinitriles|acene-2,3-dicarbonitrile|acene-2,3-dinitrile|2,3-dicyanoacenes http://purl.obolibrary.org/obo/CHEBI_51299 3_STAR CHEBI:99234 biolink:ChemicalSubstance 3-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-pyrrolidinyl)ethylamino]ethyl]-3-oxanyl]benzamide LINCS:LSM-10613 chebi.json http://purl.obolibrary.org/obo/CHEBI_99234 2_STAR CHEBI:51293 biolink:ChemicalSubstance anthracene-2,3-dialdehyde Beilstein:4311457|CAS:76197-35-8 chebi.json 2,3-anthracenedicarboxaldehyde|anthracene-2,3-dicarbaldehyde|2,3-Ada http://purl.obolibrary.org/obo/CHEBI_51293 3_STAR CHEBI:99235 biolink:ChemicalSubstance N-[[(3R,9R,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide LINCS:LSM-10614 chebi.json http://purl.obolibrary.org/obo/CHEBI_99235 2_STAR CHEBI:51294 biolink:ChemicalSubstance acene-9,10-dialdehyde Acenes containing two aldehyde groups at the 9 and 10 positions. chebi.json acene-9,10-dialdehydes|9,10-acene-dialdehydes|acene-9,10-dicarbaldehyde|acene-9,10-dialdehyde http://purl.obolibrary.org/obo/CHEBI_51294 3_STAR CHEBI:99236 biolink:ChemicalSubstance (2S,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile LINCS:LSM-10615 chebi.json http://purl.obolibrary.org/obo/CHEBI_99236 2_STAR CHEBI:51295 biolink:ChemicalSubstance anthracene-9,10-dialdehyde CAS:7044-91-9|Beilstein:1874888 chebi.json 9,10-anthracenedicarboxaldehyde|anthracene-9,10-dicarbaldehyde http://purl.obolibrary.org/obo/CHEBI_51295 3_STAR CHEBI:99237 biolink:ChemicalSubstance N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide LINCS:LSM-10616 chebi.json http://purl.obolibrary.org/obo/CHEBI_99237 2_STAR CHEBI:51296 biolink:ChemicalSubstance anthracenedialdehyde chebi.json anthracenedicarbaldehyde http://purl.obolibrary.org/obo/CHEBI_51296 3_STAR CHEBI:99238 biolink:ChemicalSubstance LSM-10617 LINCS:LSM-10617 chebi.json http://purl.obolibrary.org/obo/CHEBI_99238 2_STAR CHEBI:9591 biolink:ChemicalSubstance Tifluadom KEGG:C11797|KEGG:D02694|CAS:83386-35-0 chebi.json Tifluadom http://purl.obolibrary.org/obo/CHEBI_9591 2_STAR CHEBI:145420 biolink:ChemicalSubstance 2-deoxy-6-O-phosphonato-D-glucono-1,5-lactone(2-) Dianion of 2-deoxy-6-O-phosphono-D-glucono-1,5-lactone arising from deprotonation of the phosphate OH groups; major species at pH 7.3. chebi.json 2-deoxy-6-phospho-D-glucono-1,5-lactone http://purl.obolibrary.org/obo/CHEBI_145420 2_STAR CHEBI:170420 biolink:ChemicalSubstance TG(22:1(13Z)/16:1(9Z)/18:4(6Z,9Z,12Z,15Z)) HMDB:HMDB0051555|Chemspider:59659464 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170420 2_STAR CHEBI:145421 biolink:ChemicalSubstance rigosertib sodium The sodium salt of rigosertib. It is an anti-cancer agent which has been granted Orphan Drug Designation by the FDA for use in patients with myelodysplastic syndromes (MDS). PMID:19466411|CAS:592542-60-4|PMID:27150054|PMID:17588831|PMID:18955447|PMID:29423069|PMID:23486532|PMID:22351695|PMID:15766665|PMID:23738723|PMID:23841031|DrugBank:DBSALT002144|PMID:19029951|PMID:27764820|KEGG:D10155|PMID:25316768|PMID:22524974|PMID:21646468|PMID:24748653|PMID:22678771|PMID:21812421|PMID:24493827|PMID:21924492|PMID:23386308|PMID:28985505 chebi.json novonex|ON-01910 sodium salt|ON 01910 sodium|sodium [2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate|ON 01910.Na|ON-01910 sodium|(E)-ON 01910.Na|rigosertib sodium salt|Estybon|ON 01910 sodium salt|ON-01910.Na http://purl.obolibrary.org/obo/CHEBI_145421 3_STAR CHEBI:9592 biolink:ChemicalSubstance tiglic acid A 2-methylbut-2-enoic acid having its double bond in trans-configuration. HMDB:HMDB0001470|PMID:9664709|Gmelin:278139|KEGG:C08279|Wikipedia:Tiglic_acid|CAS:80-59-1|LIPID_MAPS_instance:LMFA01020030|CAS:80-59-1|Beilstein:1236500|Reaxys:1236500|CAS:80-59-1|PMID:6045963|MetaCyc:CPD-7077|PMID:1368419|KNApSAcK:C00001207|PMID:17404818 chebi.json Tiglic acid|(E)-2-methylbut-2-enoic acid|(E)-2,3-dimethylacrylic acid|(2E)-2-methylbut-2-enoic acid|trans-2,3-dimethylacrylic acid|(E)-2-methylcrotonic acid|trans-2-methylcrotonic acid|(E)-2,3-Dimethylacrylic acid|Tiglinsaeure|methyl methacrylic acid|trans-2-methyl-2-butenoic acid|trans-alpha,beta-dimethylacrylic acid http://purl.obolibrary.org/obo/CHEBI_9592 3_STAR CHEBI:170421 biolink:ChemicalSubstance PE(20:1(11Z)/16:1(9Z)) HMDB:HMDB0009254|LIPID_MAPS_instance:LMGP02010848|Chemspider:24768705 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170421 2_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. chebi.json rigosertib anion|[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate http://purl.obolibrary.org/obo/CHEBI_145422 3_STAR CHEBI:170422 biolink:ChemicalSubstance TG(22:1(13Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z)) Chemspider:59659449|HMDB:HMDB0051539 chebi.json [(2S)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170422 2_STAR CHEBI:9593 biolink:ChemicalSubstance Tigloidine KNApSAcK:C00025557|HMDB:HMDB0029875|Drug_Central:3606|CAS:495-83-0|KEGG:C10868|KNApSAcK:C00002304 chebi.json tiglylpseudotropine|tigloyl pseudotropine|Tigloidine|tigloidin|3beta-Tigloyloxytropane|tiglyssin http://purl.obolibrary.org/obo/CHEBI_9593 2_STAR CHEBI:145423 biolink:ChemicalSubstance 2-amino-2-deoxy-6-O-phosphonato-D-glucono-1,5-lactone(2-) Dianion of 2-amino-2-deoxy-6-O-phosphono-D-glucono-1,5-lactone arising from deprotonation of the phosphate OH groups; major species at pH 7.3. chebi.json 2-amino-2-deoxy-6-phospho-D-glucono-1,5-lactone|2-amino-2-deoxy-6-phospho-D-glucono-1,5-lactone http://purl.obolibrary.org/obo/CHEBI_145423 2_STAR CHEBI:9594 biolink:ChemicalSubstance Tiglyl tiglate CAS:72845-40-0|KEGG:C08546|KNApSAcK:C00001324 chebi.json Tiglyl tiglate http://purl.obolibrary.org/obo/CHEBI_9594 2_STAR CHEBI:170423 biolink:ChemicalSubstance PE(14:0/22:2(13Z,16Z)) Chemspider:24768348|HMDB:HMDB0008843|LIPID_MAPS_instance:LMGP02010420 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170423 2_STAR CHEBI:145424 biolink:ChemicalSubstance 6-O-sulfonato-D-glucono-1,5-lactone(1-) Anion of 6-O-sulfono-D-glucono-1,5-lactone arising from deprotonation of the sulfate OH group; major species at pH 7.3. chebi.json 6-sulfo-D-glucono-1,5-lactone http://purl.obolibrary.org/obo/CHEBI_145424 2_STAR CHEBI:170424 biolink:ChemicalSubstance TG(22:1(13Z)/14:1(9Z)/20:4(5Z,8Z,11Z,14Z)) Chemspider:59659443|HMDB:HMDB0051533 chebi.json [(2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170424 2_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 chebi.json Cdc5p inhibitors|polo kinase inhibitor|polo-like kinase inhibitor|EC 2.7.11.21 inhibitor|EC 2.7.11.21 (polo kinase) inhibitors|serine/threonine-specific Drosophila kinase polo inhibitor|Cdc5 inhibitor|polo-like kinase 1 inhibitor|Cdc5 inhibitors|polo serine-threonine kinase inhibitors|Plk1 inhibitor|Plo1 inhibitors|polo kinase inhibitors|polo-like kinase inhibitors|Plo1 inhibitor|Cdc5p inhibitor|Plk1 inhibitors|polo serine-threonine kinase inhibitor|STK21 inhibitors|Plk inhibitors|PLK inhibitors|PLK inhibitor|Plk inhibitor|polo-like kinase 1 inhibitors|serine/threonine-specific Drosophila kinase polo inhibitors|STK21 inhibitor|EC 2.7.11.21 inhibitors http://purl.obolibrary.org/obo/CHEBI_145425 3_STAR CHEBI:170425 biolink:ChemicalSubstance PC(18:2(9Z,12Z)/15:0) LIPID_MAPS_instance:LMGP01011618|HMDB:HMDB0008132|Chemspider:24766795 chebi.json [(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170425 2_STAR CHEBI:145426 biolink:ChemicalSubstance 1-O-(4-O-benzyl-alpha-D-galactosyl)-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-benzyl-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PDBeChem:JTV|PMID:30556652 chebi.json N-[(2S,3S,4R)-1-(4-O-benzyl-alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|(2S,3S,4R)-1-(4-O-benzyl-alpha-D-galactopyranosyloxy)-2-hexacosanoylaminooctadecane-3,4-diol|N-[(1S,2S,3R)-2,3-dihydroxy-1-[[[4-O-(phenylmethyl)-alpha-D-galactopyranosyl]oxy]methyl]heptadecyl]hexacosanamide|N-{(2S,3S,4R)-1-[(4-O-benzyl-alpha-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|N-{(2S,3S,4R)-1-[(4-O-benzyl-alpha-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|N-[(1S,2S,3R)-2,3-dihydroxy-1-({[4-O-(phenylmethyl)-alpha-D-galactopyranosyl]oxy}methyl)heptadecyl]hexacosanamide|N-[(2S,3S,4R)-1-(4-O-benzyl-alpha-D-galactosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide http://purl.obolibrary.org/obo/CHEBI_145426 3_STAR CHEBI:170426 biolink:ChemicalSubstance TG(24:1(15Z)/14:1(9Z)/18:4(6Z,9Z,12Z,15Z)) Chemspider:59660876|HMDB:HMDB0052039 chebi.json [(2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-tetracos-15-enoate http://purl.obolibrary.org/obo/CHEBI_170426 2_STAR CHEBI:9590 biolink:ChemicalSubstance tienilic acid An aromatic ketone that is 2,3-dichlorophenoxyacetic acid in which the hydrogen at position 4 on the benzene ring is replaced by a thiophenecarbonyl group. A loop diuretic used to treat hypertension, it was withdrawn from the market in 1982 due to links with hepatitis. PMID:24575896|KEGG:D02386|CAS:40180-04-9|PMID:7074982|PMID:41229|PMID:7398677|PMID:7004678|LINCS:LSM-5478|PMID:8823314|PMID:6996137|DrugBank:DB04831|KEGG:C11702|PMID:2714684|PMID:23013248|PMID:471154|Reaxys:1260086|Drug_Central:2658|PMID:504040|Wikipedia:Tienilic_acid|PMID:913063|PMID:7128663|CAS:40180-04-9|PMID:22462724|PMID:471149 chebi.json 4-(2-Thienylketo)-2,3-dichlorophenoxyacetic acid|acide tienilique|acidum tienilicum|(2,3-Dichloro-4-(2-thiophenecarbonyl)phenoxy)acetic acid|acido tienilico|Ticrynafen|Thienylic acid|4-(2-Theonyl)-2,3-dichlorphenoxyessigsaeure|(2,3-Dichloro-4-(2-thenoyl)phenoxy)acetic acid|[2,3-dichloro-4-(2-thienylcarbonyl)phenoxy]acetic acid|tienilic acid http://purl.obolibrary.org/obo/CHEBI_9590 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 chebi.json 6-O-sulfonato-D-glucopyranose|D-glucose 6-sulfate http://purl.obolibrary.org/obo/CHEBI_145427 3_STAR CHEBI:170427 biolink:ChemicalSubstance PE-NMe2(16:0/18:1(9Z)) Chemspider:7825968|LIPID_MAPS_instance:LMGP02010322|HMDB:HMDB0010568 chebi.json [(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170427 2_STAR CHEBI:170428 biolink:ChemicalSubstance TG(22:1(13Z)/14:0/20:5(5Z,8Z,11Z,14Z,17Z)) Chemspider:59659346|HMDB:HMDB0051421 chebi.json [(2S)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-2-tetradecanoyloxypropyl] (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170428 2_STAR CHEBI:170429 biolink:ChemicalSubstance PE(22:0/14:1(9Z)) HMDB:HMDB0009482|Chemspider:24768932|LIPID_MAPS_instance:LMGP02011016 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] docosanoate http://purl.obolibrary.org/obo/CHEBI_170429 2_STAR CHEBI:51280 biolink:ChemicalSubstance S-methyl thioacetate Beilstein:1736664|Gmelin:1316927|CAS:1534-08-3|CAS:1534-08-3 chebi.json S-methyl ethanethioate|ethanethioic acid, S-methyl ester|methylthioacetate|methyl thioacetate|methyl ethanethioate|CH3C(O)SCH3|methanethiol acetate|thioacetic acid S-methyl ester http://purl.obolibrary.org/obo/CHEBI_51280 3_STAR CHEBI:51281 biolink:ChemicalSubstance O-methyl ethanethioate CAS:21119-13-1|Beilstein:1736663 chebi.json O-methyl ethanethioate|CH3C(=S)OCH3|CH3C(S)OCH3 http://purl.obolibrary.org/obo/CHEBI_51281 3_STAR CHEBI:99260 biolink:ChemicalSubstance N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide LINCS:LSM-10639 chebi.json http://purl.obolibrary.org/obo/CHEBI_99260 2_STAR CHEBI:99261 biolink:ChemicalSubstance 2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-phenylethyl)acetamide LINCS:LSM-10640 chebi.json http://purl.obolibrary.org/obo/CHEBI_99261 2_STAR CHEBI:99262 biolink:ChemicalSubstance N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-[2-(1-piperidinyl)ethylamino]ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-pyridinecarboxamide LINCS:LSM-10641 chebi.json http://purl.obolibrary.org/obo/CHEBI_99262 2_STAR CHEBI:99263 biolink:ChemicalSubstance 2-[(2S,4aS,12aS)-8-[[[(3,5-dimethyl-4-isoxazolyl)amino]-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide LINCS:LSM-10642 chebi.json http://purl.obolibrary.org/obo/CHEBI_99263 2_STAR CHEBI:145428 biolink:ChemicalSubstance glasdegib A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a (2R,4S)-4-{[(4-cyanophenyl)carbamoyl]amino}-1-methylpiperidin-2-yl group at position 2. It is a hedgehog signalling pathway inhibitor that acts by binding to Smoothened (SMO) receptors and blocking signal transduction (IC50 = 5 nM). It is used in combination with low-dose cytarabine, for the treatment of newly-diagnosed acute myeloid leukemia (AML) in adult patients (aged >= 75 years), or who have medical conditions that prevent the use of standard chemotherapy. LINCS:LSM-45612|PMID:30074259|PMID:29463550|PMID:29086063|PMID:28556364|PMID:24900436|PMID:31584572|PMID:27866461|PMID:30666593|PMID:30536154|PMID:30977980|DrugBank:DB11978|PMID:31516032|CAS:1095173-27-5|KEGG:D10636|PMID:31064779|PMID:29488303|PMID:25388167|PMID:31030089|PMID:26688487|PMID:31432695|Wikipedia:Glasdegib|PMID:30555165|PMID:24944041|PMID:30849661|PMID:27486815 chebi.json PF-4449913|PF-913|N-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-N'-(4-cyanophenyl)urea|1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea|glasdegibum|PF-04449913|glasdegib|Daurismo http://purl.obolibrary.org/obo/CHEBI_145428 3_STAR CHEBI:9588 biolink:ChemicalSubstance ticlopidine 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. Patent:US4051141|Drug_Central:2657|KEGG:D08594|KEGG:C07140|PMID:19180126|Patent:US4127580|CAS:55142-85-3|LINCS:LSM-1986|Wikipedia:Ticlopidine|Patent:DE2404308|DrugBank:DB00208|Reaxys:1216802 chebi.json ticlopidine|ticlopidina|5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine|ticlopidinum|ticlopidine http://purl.obolibrary.org/obo/CHEBI_9588 3_STAR CHEBI:99264 biolink:ChemicalSubstance N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1-methyl-4-imidazolesulfonamide LINCS:LSM-10643 chebi.json http://purl.obolibrary.org/obo/CHEBI_99264 2_STAR CHEBI:51286 biolink:ChemicalSubstance tetracenequinones chebi.json http://purl.obolibrary.org/obo/CHEBI_51286 3_STAR CHEBI:145429 biolink:ChemicalSubstance sapacitabine A nucleoside analogue resulting from the formal condensation of the carboxy group of hexadecanoic acid with the amino group of CNDAC. It is the prodrug of CNDAC and is currently in clinical development for the treatment of acute myeloid leukemia (AML). PMID:23075701|PMID:17637678|PMID:16502355|PMID:24851045|PMID:22329458|PMID:28802254|Wikipedia:Sapacitabine|CAS:151823-14-2|PMID:24790002|DrugBank:DB06365|PMID:25676423|PMID:16788861|PMID:26523431|KEGG:D09722|PMID:22404148|PMID:30222471|PMID:22739266|PMID:9989668 chebi.json N-[1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-2-oxo-1,2-dihydropyrimidine-4-yl]hexadecanamide|sapacitabine|sapacitabina|CS682|CS 682|CYC 682|CS-682|1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-4-(hexadecanoylamino)pyrimidin-2(1H)-one|CYC-682|N-(1-(2-cyano-2-deoxy-beta-D-arabinofuranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl)hexadecanamide|CYC682|PCNDAC|sapacitabinum http://purl.obolibrary.org/obo/CHEBI_145429 3_STAR CHEBI:99265 biolink:ChemicalSubstance 3-[3-[(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-6-[oxo(1-piperidinyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide LINCS:LSM-10644 chebi.json http://purl.obolibrary.org/obo/CHEBI_99265 2_STAR CHEBI:51287 biolink:ChemicalSubstance tetracene-5,12-dione CAS:1090-13-7|CAS:1090-13-7|Beilstein:1880180|Gmelin:467116 chebi.json tetracenemonoquinone|5,12-tetracenequinone|naphthacene-5,12-dione|5,12-naphthacenedione|5,12-naphthacenequinone|tetracene-5,12-dione|naphthacene-6,11-quinone http://purl.obolibrary.org/obo/CHEBI_51287 3_STAR CHEBI:9589 biolink:ChemicalSubstance ticlopidine hydrochloride KEGG:D01028|CAS:53885-35-1|Beilstein:4037097|DrugBank:DB00208 chebi.json Tiklyd|Ticlopid|Ticlodone|Ticlopidine HCl|5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine hydrochloride|Ticlid http://purl.obolibrary.org/obo/CHEBI_9589 3_STAR CHEBI:51288 biolink:ChemicalSubstance tetracenequinone chebi.json http://purl.obolibrary.org/obo/CHEBI_51288 3_STAR CHEBI:99266 biolink:ChemicalSubstance 2-[(2S,4aR,12aR)-5-methyl-8-[(4-methylphenyl)sulfonylamino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide LINCS:LSM-10645 chebi.json http://purl.obolibrary.org/obo/CHEBI_99266 2_STAR CHEBI:99267 biolink:ChemicalSubstance N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-pyridin-4-ylacetamide LINCS:LSM-10646 chebi.json http://purl.obolibrary.org/obo/CHEBI_99267 2_STAR CHEBI:51289 biolink:ChemicalSubstance tetracene-1,4-dione Beilstein:1972898 chebi.json tetracene-1,4-dione http://purl.obolibrary.org/obo/CHEBI_51289 3_STAR CHEBI:9584 biolink:ChemicalSubstance desiccated thyroid extract It is a thyroid hormone replacement medication which works by supplying the thyroid hormone normally produced by the body. It is used to treat the symptoms of hypothyroidism (a condition where the thyroid gland does not produce enough thyroid hormone) and is also used to treat goiter (enlarged thyroid gland). Desiccated thyroid extract is made from dried thyroid glands of animals, specifically pigs. PMID:32279609|PMCID:PMC7208567|PMID:32260044|KEGG:D01012|PMID:31820425|PMCID:PMC7209177|KEGG:D06482|CAS:8028-36-2|PMID:33094621|Wikipedia:Desiccated_thyroid_extract|KEGG:C08215 chebi.json dried thyroid|NP Thyroid|thyroid preparation|dessicated thyroid extract|dessicated thyroid|thyroid tablets|Nature-Throid|thyroid extract|natural dessicated thyroid extract|natural desiccated thyroid|thyroid gland|natural thyroid|Armour Thyroid|Thyroid http://purl.obolibrary.org/obo/CHEBI_9584 3_STAR CHEBI:51282 biolink:ChemicalSubstance 2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid A ketoaldonic acid derivative derivative that is a seven-membered ketoaldonic acid having an amino substituent at the 2-position and the 3- and 7-positions deoxygenated. KEGG:C16850 chebi.json 2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid|2-Amino-3,7-dideoxy-D-threo-hept-6-ulosonic acid http://purl.obolibrary.org/obo/CHEBI_51282 3_STAR CHEBI:99268 biolink:ChemicalSubstance 2-[(2R,4aS,12aS)-5-methyl-8-[[(4-methylanilino)-oxomethyl]amino]-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide LINCS:LSM-10647 chebi.json http://purl.obolibrary.org/obo/CHEBI_99268 2_STAR CHEBI:99269 biolink:ChemicalSubstance (2R,3R,3aS,9bS)-N-(2,3-dihydro-1H-inden-2-yl)-3-(hydroxymethyl)-7-(3-methoxyphenyl)-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide LINCS:LSM-10648 chebi.json http://purl.obolibrary.org/obo/CHEBI_99269 2_STAR CHEBI:9585 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9585 CHEBI:51283 biolink:ChemicalSubstance hydroxypyruvaldehyde phosphate A 2-oxo aldehyde consisting of pyruvaldehyde having a phosphooxy group at the 3-position. KEGG:C16849 chebi.json 2,3-dioxopropyl dihydrogen phosphate|Hydroxypyruvaldehyde phosphate http://purl.obolibrary.org/obo/CHEBI_51283 3_STAR CHEBI:9586 biolink:ChemicalSubstance tiagabine A piperidinemonocarboxylic acid that is (R)-nipecotic acid in which the hydrogen attached to the nitrogen has been replaced by a 1,1-bis(3-methyl-2-thienyl)but-1-en-4-yl group. A GABA reuptake inhibitor, it is used (generally as the hydrochloride salt) for the treatment of epilepsy. PMID:23997364|PMID:10530690|DrugBank:DB00906|PMID:9097364|Wikipedia:Tiagabine|CAS:115103-54-3|PMID:22592677|HMDB:HMDB0015042|KEGG:C07503|PMID:25663257|PMID:24440890|PMID:23770680|Drug_Central:2648|Patent:WO8700171|LINCS:LSM-5700|Patent:US5010090|PMID:9449883|PMID:24500879|CAS:115103-54-3|Reaxys:6375354|KEGG:D08588 chebi.json tiagabinum|(-)-(R)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid|(R)-(-)-1-[4,4-bis(3-methyl-2-thienyl)-3-butenyl]nipecotic acid|(-)-(R)-1-(4,4-bis(3-methyl-2-thienyl)-3-butenyl)nipecotic acid|tiagabine|(R)-tiagabine|tiagabine|(3R)-1-[4,4-bis(3-methyl-2-thienyl)but-3-en-1-yl]piperidine-3-carboxylic acid|tiagabina http://purl.obolibrary.org/obo/CHEBI_9586 3_STAR CHEBI:51284 biolink:ChemicalSubstance 1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate A ketohexose monophosphate having keto groups at the 2- and 5-positions, hydroxy groups at the 3- and 4-positions and the phosphate group at the 6-position. KEGG:C16848 chebi.json 1-deoxy-D-threo-hexo-2,5-diulose 6-(dihydrogen phosphate)|1-deoxy-6-O-phosphono-D-threo-hexo-2,5-diulose|6-Deoxy-5-ketofructose 1-phosphate http://purl.obolibrary.org/obo/CHEBI_51284 3_STAR CHEBI:51285 biolink:ChemicalSubstance acenoquinone Quinones containing an acene fused ring system. chebi.json acenoquinones|acenoquinone http://purl.obolibrary.org/obo/CHEBI_51285 3_STAR CHEBI:9587 biolink:ChemicalSubstance ticarcillin A penicillin compound having a 6beta-[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino side-group. CAS:34787-01-4|PMID:1384868|PMID:24369293|DrugBank:DB01607|CAS:34787-01-4|Patent:US3282926|KEGG:C07139|PMID:12569987|Reaxys:6009447|Wikipedia:Ticarcillin|Drug_Central:2656|KEGG:D08593|PMID:29017833|PMID:23775821|Patent:BE646991|Beilstein:6009447 chebi.json alpha-carboxy-3-thienylmethylpenicillin|ticarcillin|(2S,5R,6R)-6-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|ticarcilline|ticarcilina|ticarcillinum|6beta-{[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino}-2,2-dimethylpenam-3alpha-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_9587 3_STAR CHEBI:170431 biolink:ChemicalSubstance PE(20:0/16:1(9Z)) LIPID_MAPS_instance:LMGP02010827|Chemspider:24768683|HMDB:HMDB0009221 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170431 2_STAR CHEBI:145410 biolink:ChemicalSubstance EC 1.1.1.42 (isocitrate 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 any isocitrate dehydrogenase (EC 1.1.1.42). Wikipedia:Isocitrate_dehydrogenase chebi.json NADP-dependent isocitrate dehydrogenase inhibitors|isocitrate (NADP) dehydrogenase inhibitors|NADP isocitric dehydrogenase inhibitors|NADP-linked isocitrate dehydrogenase inhibitors|isocitrate (NADP) dehydrogenase inhibitor|oxalosuccinate decarboxylase inhibitors|NADP(+)-IDH inhibitor|isocitrate (nicotinamide adenine dinucleotide phosphate) dehydrogenase inhibitors|NADP(+)-ICDH inhibitor|NADP-specific isocitrate dehydrogenase inhibitors|IDP1 inhibitors|oxalsuccinic decarboxylase inhibitors|IDP2 inhibitors|IDP3 inhibitors|IDP3 inhibitor|IDP1 inhibitor|isocitrate dehydrogenase inhibitor|NADP(+)-ICDH inhibitors|isocitrate dehydrogenase (NADP(+)) inhibitors|oxalosuccinate decarboxylase inhibitor|EC 1.1.1.42 inhibitor|IDP inhibitor|isocitrate dehydrogenase (NADP-dependent) inhibitor|NADP-linked isocitrate dehydrogenase inhibitor|NADP isocitric dehydrogenase inhibitor|triphosphopyridine nucleotide-linked isocitrate dehydrogenase-oxalosuccinate carboxylase inhibitors|IDH inhibitors|IDH inhibitor|triphosphopyridine nucleotide-linked isocitrate dehydrogenase-oxalosuccinate carboxylase inhibitor|NADP-dependent isocitrate dehydrogenase inhibitor|isocitrate dehydrogenase (NADP-dependent) inhibitors|IDP inhibitors|EC 1.1.1.42 inhibitors|dual-cofactor-specific isocitrate dehydrogenase inhibitor|NADP-dependent isocitric dehydrogenase inhibitor|isocitrate dehydrogenase (NADP(+)) inhibitor|isocitrate dehydrogenase inhibitors|NADP(+)-linked isocitrate dehydrogenase inhibitors|oxalsuccinic decarboxylase inhibitor|IDP2 inhibitor|NADP(+)-linked isocitrate dehydrogenase inhibitor|NADP-specific isocitrate dehydrogenase inhibitor|NADP-dependent isocitric dehydrogenase inhibitors|isocitrate (nicotinamide adenine dinucleotide phosphate) dehydrogenase inhibitor|NADP(+)-IDH inhibitors|dual-cofactor-specific isocitrate dehydrogenase inhibitors http://purl.obolibrary.org/obo/CHEBI_145410 3_STAR CHEBI:170432 biolink:ChemicalSubstance TG(20:3(5Z,8Z,11Z)/18:1(11Z)/18:2(9Z,12Z)) Chemspider:59658980|HMDB:HMDB0051034 chebi.json [(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170432 2_STAR CHEBI:145411 biolink:ChemicalSubstance 4-{[(4-aminophenyl)sulfonyl]amino}hexanoic acid A sulfonamide consisting of hexanoic acid with a 4-aminobenzenesulfonamido group at its 6-position. CAS:30181-27-2 chebi.json acide 6-{[(4-aminophenyl)sulfonyl]amino}hexanoique|6-{[(4-Aminophenyl)sulfonyl]amino}hexansaeure http://purl.obolibrary.org/obo/CHEBI_145411 3_STAR CHEBI:170433 biolink:ChemicalSubstance PE(22:1(13Z)/14:0) Chemspider:24768958|HMDB:HMDB0009514 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170433 2_STAR CHEBI:145412 biolink:ChemicalSubstance methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate A methyl ester resulting from the formal condensation of the carboxylic acid group of 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid with methanol. chebi.json methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate http://purl.obolibrary.org/obo/CHEBI_145412 3_STAR CHEBI:170434 biolink:ChemicalSubstance TG(20:3(5Z,8Z,11Z)/16:1(9Z)/20:2n6) HMDB:HMDB0051018|Chemspider:59658965 chebi.json [(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170434 2_STAR CHEBI:145413 biolink:ChemicalSubstance (R)-diclofop-methyl A methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate that is the (R)-enantiomer of diclofop-methyl. AGR:IND44326446|PMID:26501920|CAS:71283-65-3 chebi.json methyl (2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate http://purl.obolibrary.org/obo/CHEBI_145413 3_STAR CHEBI:170435 biolink:ChemicalSubstance PE(16:1(9Z)/20:0) HMDB:HMDB0008965|Chemspider:24768451|LIPID_MAPS_instance:LMGP02010529 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170435 2_STAR CHEBI:51279 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_51279 CHEBI:170436 biolink:ChemicalSubstance TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:2(13Z,16Z)) Chemspider:59658951|HMDB:HMDB0051003 chebi.json [(2R)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170436 2_STAR CHEBI:145414 biolink:ChemicalSubstance (S)-diclofop-methyl A methyl 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate that is the (S)-enantiomer of diclofop-methyl. AGR:IND44326446|PMID:26501920|CAS:75021-72-6 chebi.json methyl (2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoate http://purl.obolibrary.org/obo/CHEBI_145414 3_STAR CHEBI:145415 biolink:ChemicalSubstance 4-(4-{[(4-aminophenyl)sulfonyl]amino}phenyl)butanoic acid A sulfonamide consisting of 4-phenylbutanoic acid with a 4-aminobenzenesulfonamido group at the phenyl 4-position. PMID:30580515 chebi.json 4-(4-{[(4-aminophenyl)sulfonyl]amino}phenyl)butyric acid|4-[4-[(4-aminophenyl)sulfonylamino]phenyl]butanoic acid|4-{4-[(4-aminobenzene-1-sulfonyl)amino]phenyl}butanoic acid http://purl.obolibrary.org/obo/CHEBI_145415 3_STAR CHEBI:170437 biolink:ChemicalSubstance PE(16:0/20:1(11Z)) HMDB:HMDB0008933|Chemspider:7825960|LIPID_MAPS_instance:LMGP02010312 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170437 2_STAR CHEBI:145416 biolink:ChemicalSubstance N-acetyl-9-O-acetyl-2-O-methyl-alpha-neuraminic acid A member of the class of N-acetylneuraminic acids that is N-acetyl-9-O-acetyl-alpha-neuraminic acid in which the hydroxy group at position 2 (adjacent to the carboxy group) has been methylated to give the corresponding methoxy group. PMID:26524514|PDBeChem:MJJ|PMID:31160783 chebi.json methyl 9-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid|methyl 5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid|2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid http://purl.obolibrary.org/obo/CHEBI_145416 3_STAR CHEBI:170438 biolink:ChemicalSubstance PE(20:1(11Z)/16:0) LIPID_MAPS_instance:LMGP02010847|Chemspider:24768704|HMDB:HMDB0009253 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170438 2_STAR CHEBI:170439 biolink:ChemicalSubstance TG(20:3(5Z,8Z,11Z)/18:0/18:3(9Z,12Z,15Z)) Chemspider:59658886|HMDB:HMDB0050934 chebi.json [(2R)-2-octadecanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170439 2_STAR CHEBI:51270 biolink:ChemicalSubstance tetracenes Compounds containing a tetracene skeleton. chebi.json naphthacenes http://purl.obolibrary.org/obo/CHEBI_51270 3_STAR CHEBI:99250 biolink:ChemicalSubstance 2-[(2R,4aS,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide LINCS:LSM-10629 chebi.json http://purl.obolibrary.org/obo/CHEBI_99250 2_STAR CHEBI:99251 biolink:ChemicalSubstance 3-(2-fluorophenyl)-1-[(2R,3R)-4-[(4-fluorophenyl)sulfonyl-methylamino]-3-methoxy-2-methylbutyl]-1-[(2S)-1-hydroxypropan-2-yl]urea LINCS:LSM-10630 chebi.json http://purl.obolibrary.org/obo/CHEBI_99251 2_STAR CHEBI:99252 biolink:ChemicalSubstance 2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide LINCS:LSM-10631 chebi.json http://purl.obolibrary.org/obo/CHEBI_99252 2_STAR CHEBI:99253 biolink:ChemicalSubstance LSM-10632 LINCS:LSM-10632 chebi.json http://purl.obolibrary.org/obo/CHEBI_99253 2_STAR CHEBI:9599 biolink:ChemicalSubstance (S)-timolol (anhydrous) The (S)-(-) (more active) enantiomer of timolol. A beta-adrenergic antagonist, both the hemihydrate and the maleate salt are used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine. PMID:6134834|DrugBank:DB00373|PMID:2892933|CAS:26839-75-8|PMID:6126588|PMID:2002467|PMID:11728183|PMID:14971904|PDBeChem:TIM|Patent:US3657237|Patent:US3655663|PMID:2903243|Patent:DE1925956|Reaxys:1084707|PMID:15857133|Drug_Central:4061|PMID:8568799|Wikipedia:Timolol|KEGG:D08600|PMID:6113285|PMID:9288160|PMID:2872332|PMID:2579237|PMID:6109024|KEGG:C07141|PMID:10891117|PMID:1635066|CAS:26839-75-8|PMID:11300874|LINCS:LSM-2176|PMID:6094812|PMID:15027870|PMID:11784135|Patent:DE2915955|Beilstein:1084707 chebi.json (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol|(2S)-1-((1,1-dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol|1-(tert-butylamino)-3-[4-(1,4-oxazinan-4-yl)-1,2,5-thiadiazol-3-yloxy]-(2S)-propan-2-ol|(S)-1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol|S-(-)-3-(3-tert-butylamino-2-hydroxypropoxy)-4-morpholino-1,2,5-thiadiazole|(-)-3-morpholino-4-(3-tert-butylamino-2-hydroxypropoxy)-1,2,5-thiadiazole|Timolol|(S)-timolol|(S)-1-(1,1-(dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol|(S)-1-tert-Butylamino-3-(4-morpholin-4-yl-[1,2,5]thiadiazol-3-yloxy)-propan-2-ol http://purl.obolibrary.org/obo/CHEBI_9599 3_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. PMID:31299161|PMID:29070108|PMID:29144985|DrugBank:DB12146|PMID:31312928|PMID:27764820|Wikipedia:Rigosertib|PMID:30956775|PMID:16223707|CAS:592542-59-1|PMID:28985505|LINCS:LSM-44531|PMID:27150054|KEGG:D10154|PDBeChem:6FS|PMID:15766665 chebi.json ON 01910|ON-01910|[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetic acid|N-[2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine|rigosertibum|(E)-ON 01910|rigosertib http://purl.obolibrary.org/obo/CHEBI_145417 3_STAR CHEBI:51275 biolink:ChemicalSubstance nonacenes Compounds containing a nonacene skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51275 3_STAR CHEBI:145418 biolink:ChemicalSubstance (2-{[(4-aminophenyl)sulfonyl]amino}-1,3-thiazol-5-yl)acetic acid A sulfonamide consisting of 1,3-thiazol-5-ylacetic acid with a 4-aminobenzenesulfonamido group at the thiazole 2-position. PMID:30580515 chebi.json 2-[2-[(4-aminophenyl)sulfonylamino]-1,3-thiazol-5-yl]acetic acid|{2-[(4-aminobenzene-1-sulfonyl)amino]-1,3-thiazol-5-yl}acetic acid http://purl.obolibrary.org/obo/CHEBI_145418 3_STAR CHEBI:99254 biolink:ChemicalSubstance 3,3,3-trifluoro-N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-[(1-methyl-4-imidazolyl)sulfonyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide LINCS:LSM-10633 chebi.json http://purl.obolibrary.org/obo/CHEBI_99254 2_STAR CHEBI:51276 biolink:ChemicalSubstance thioureas Compounds of general formula RR'NC(=S)NR''R'''. chebi.json http://purl.obolibrary.org/obo/CHEBI_51276 3_STAR CHEBI:145419 biolink:ChemicalSubstance 6-O-phosphonato-D-galactono-1,5-lactone(2-) Dianion of 6-O-phosphono-D-galactono-1,5-lactone arising from deprotonation of the phosphate OH groups; major species at pH 7.3. chebi.json 6-phospho-D-galactono-1,5-lactone http://purl.obolibrary.org/obo/CHEBI_145419 2_STAR CHEBI:51277 biolink:ChemicalSubstance thioester A compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'. chebi.json thio ester|thiol ester|thioesters http://purl.obolibrary.org/obo/CHEBI_51277 3_STAR CHEBI:99255 biolink:ChemicalSubstance 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester LINCS:LSM-10634 chebi.json http://purl.obolibrary.org/obo/CHEBI_99255 2_STAR CHEBI:566395 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_566395 CHEBI:51278 biolink:ChemicalSubstance thionoester A compound of general formula RC(=S)OR'. Compare with thioester, RC(=O)SR'. chebi.json thionoesters http://purl.obolibrary.org/obo/CHEBI_51278 3_STAR CHEBI:99256 biolink:ChemicalSubstance 3-(4-fluorophenyl)-1-[(2S)-1-hydroxypropan-2-yl]-1-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-[(1-methyl-4-imidazolyl)sulfonyl]amino]butyl]urea LINCS:LSM-10635 chebi.json http://purl.obolibrary.org/obo/CHEBI_99256 2_STAR CHEBI:99257 biolink:ChemicalSubstance LSM-10636 LINCS:LSM-10636 chebi.json http://purl.obolibrary.org/obo/CHEBI_99257 2_STAR CHEBI:51271 biolink:ChemicalSubstance pentacenes Compounds containing a pentacene skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51271 3_STAR CHEBI:9595 biolink:ChemicalSubstance tigogenin A widely used steroidal sapogenin isolated from several plant species and used for synthesizing steroid drugs. KEGG:C08914|Reaxys:1293741|Chemspider:10252448|PMID:30693503|FooDB:FDB012684|PMID:32443910|PMID:30855957|PMID:32439406|PMID:11529418|LIPID_MAPS_instance:LMST01080009|PMID:10923841|AGR:IND606860518|AGR:IND605692811|PMID:4036620|PMID:29233733|PMID:28345921|KNApSAcK:C00003593|PMID:33130020|PMID:28677770|PMID:32751592|PMID:23707570|CAS:77-60-1|CAS:77-60-1 chebi.json tigogenin|5-epi-sarsasapogenin|(3-beta,5alpha,25R)-spirostan-3-ol|(5alpha,25R)-spirostan-3beta-ol|(25R)-5alpha-spirostan-3beta-ol http://purl.obolibrary.org/obo/CHEBI_9595 3_STAR CHEBI:99258 biolink:ChemicalSubstance N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(phenylmethyl)sulfonylamino]-2-oxanyl]ethyl]cyclobutanecarboxamide LINCS:LSM-10637 chebi.json http://purl.obolibrary.org/obo/CHEBI_99258 2_STAR CHEBI:9596 biolink:ChemicalSubstance Tigonin KNApSAcK:C00003594|CAS:1329-83-5|KEGG:C08915 chebi.json Tigonin http://purl.obolibrary.org/obo/CHEBI_9596 2_STAR CHEBI:51272 biolink:ChemicalSubstance hexacenes Compounds containing a hexacene skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51272 3_STAR CHEBI:99259 biolink:ChemicalSubstance 2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[2-(1-piperidinyl)ethyl]acetamide LINCS:LSM-10638 chebi.json http://purl.obolibrary.org/obo/CHEBI_99259 2_STAR CHEBI:9597 biolink:ChemicalSubstance Tiliacorine CAS:27073-72-9|KEGG:C09667|KNApSAcK:C00001925 chebi.json Tiliacorine http://purl.obolibrary.org/obo/CHEBI_9597 2_STAR CHEBI:51273 biolink:ChemicalSubstance heptacenes Compounds containing a heptacene skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51273 3_STAR CHEBI:9598 biolink:ChemicalSubstance Tiludronic acid HMDB:HMDB0015265|CAS:89987-06-4|KEGG:D08599|KEGG:C08141|Drug_Central:2666 chebi.json tiludronate disodium|Tiludronate|Tiludronic acid http://purl.obolibrary.org/obo/CHEBI_9598 2_STAR CHEBI:170430 biolink:ChemicalSubstance TG(20:3(5Z,8Z,11Z)/18:1(9Z)/18:2(9Z,12Z)) HMDB:HMDB0051052|Chemspider:59658997 chebi.json [(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170430 2_STAR CHEBI:51274 biolink:ChemicalSubstance octacenes Compounds containing an octacene skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51274 3_STAR CHEBI:170442 biolink:ChemicalSubstance PE(14:0/22:1(13Z)) Chemspider:24768347|HMDB:HMDB0008842 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (Z)-docos-13-enoate http://purl.obolibrary.org/obo/CHEBI_170442 2_STAR CHEBI:170443 biolink:ChemicalSubstance TG(20:3(5Z,8Z,11Z)/16:0/20:3n6) Chemspider:59658864|HMDB:HMDB0050911 chebi.json [(2R)-2-hexadecanoyloxy-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170443 2_STAR CHEBI:145400 biolink:ChemicalSubstance alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc(1-) A carbohydrate acid derivative anion resulting from the deprotonation of the carboxy group of alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc. The major species at pH 7.3 PMID:9473504 chebi.json alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc|5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose(1-)|alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[6-deoxy-alpha-L-Galp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[6-deoxy-alpha-L-Galp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc(1-)|N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine(1-) http://purl.obolibrary.org/obo/CHEBI_145400 3_STAR CHEBI:170444 biolink:ChemicalSubstance PE(18:1(11Z)/18:0) HMDB:HMDB0009024|Chemspider:24768497 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170444 2_STAR CHEBI:170445 biolink:ChemicalSubstance TG(20:3(5Z,8Z,11Z)/16:0/20:3(5Z,8Z,11Z)) HMDB:HMDB0050905|Chemspider:30777987 chebi.json [2-hexadecanoyloxy-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170445 2_STAR CHEBI:145401 biolink:ChemicalSubstance alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc(1-) A carbohydrate acid derivative anion resulting from the deprotonation of the carboxy group of alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc. The major species at pH 7.3. PMID:9473504 chebi.json N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-[alpha-L-Fuc-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine(1-)|5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose(1-)|alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc http://purl.obolibrary.org/obo/CHEBI_145401 3_STAR CHEBI:51268 biolink:ChemicalSubstance drying control chemical additive A role played by a compound that facilitates the rapid drying of gels without their cracking. chebi.json http://purl.obolibrary.org/obo/CHEBI_51268 3_STAR CHEBI:170446 biolink:ChemicalSubstance TG(20:1(11Z)/18:3(9Z,12Z,15Z)/18:2(9Z,12Z)) Chemspider:7823569|LIPID_MAPS_instance:LMGL03010657|HMDB:HMDB0050741 chebi.json [(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170446 2_STAR CHEBI:145402 biolink:ChemicalSubstance bentranil A benzoxazine that is 4H-3,1-benzoxazin-4-one substituted by a phenyl group at position 2. It is a postemergence herbicide used for the control of annual weeds in cereal crops, maize, and rice. Pesticides:bentranil|CAS:1022-46-4|CAS:1022-46-4|PMID:27190676|PMID:28215601|PMID:21581588|Reaxys:170624 chebi.json H-170|2-phenyl-4H-3,1-benzoxazin-4-one|linarotox|2-phenyl-3,1-benzoxazin-4-one|linurotox http://purl.obolibrary.org/obo/CHEBI_145402 3_STAR CHEBI:145403 biolink:ChemicalSubstance (R)-diclofop A 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid that is the (R)-enantiomer of diclofop. DrugBank:DB03781|CAS:71283-28-8|PMID:24240105|PMID:28884187|PDBeChem:D1L|PMID:23857454 chebi.json [R,(+)]-2-[4-(2,4-dichlorophenoxy)phenoxy]propionic acid|(+)-diclofop|(2R)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid http://purl.obolibrary.org/obo/CHEBI_145403 3_STAR CHEBI:51269 biolink:ChemicalSubstance acenes Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives. chebi.json http://purl.obolibrary.org/obo/CHEBI_51269 3_STAR CHEBI:170447 biolink:ChemicalSubstance PE(18:0/18:1(11Z)) HMDB:HMDB0008992|LIPID_MAPS_instance:LMGP02010010|Chemspider:24768475 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170447 2_STAR CHEBI:170448 biolink:ChemicalSubstance TG(20:1(11Z)/18:3(6Z,9Z,12Z)/18:2(9Z,12Z)) Chemspider:59660530|LIPID_MAPS_instance:LMGL03016293|HMDB:HMDB0050608 chebi.json [(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170448 2_STAR CHEBI:145404 biolink:ChemicalSubstance (S)-diclofop A 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid that is the (S)-enantiomer of diclofop. PMID:26501920|CAS:75021-71-5|PMID:23857454 chebi.json (-)-diclofop|(S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid|(2S)-2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid http://purl.obolibrary.org/obo/CHEBI_145404 3_STAR CHEBI:170449 biolink:ChemicalSubstance PC(18:1(9Z)/15:0) HMDB:HMDB0008099|Chemspider:24766763|LIPID_MAPS_instance:LMGP01011598 chebi.json [(2R)-3-[(Z)-octadec-9-enoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170449 2_STAR CHEBI:145405 biolink:ChemicalSubstance sulfabromomethazine A sulfonamide consisting of 5-bromo-4,6-dimethylpyrimidine with a 4-aminobenzenesulfonamido group at the 2-position. A long-acting derivative of sulfamezathine, it is used in the poultry, swine and cattle industries for the treatment of coccidiosis and various bacterial infections. CAS:116-45-0|PMID:30580515|PMID:13533757 chebi.json 4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzene-1-sulfonamide|5-bromosulfamethazine|N1-(5-bromo-4,6-dimethyl-2-pyrimidinyl)sulfanilamide|4-amino-N-(5-bromo-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide|4-amino-N-(5-bromo-4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide http://purl.obolibrary.org/obo/CHEBI_145405 3_STAR CHEBI:99280 biolink:ChemicalSubstance N-[(1S,3S,4aR,9aS)-3-[2-[(3-fluorophenyl)methylamino]-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide LINCS:LSM-10659 chebi.json http://purl.obolibrary.org/obo/CHEBI_99280 2_STAR CHEBI:99281 biolink:ChemicalSubstance 2-[(1S,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide LINCS:LSM-10660 chebi.json http://purl.obolibrary.org/obo/CHEBI_99281 2_STAR CHEBI:99282 biolink:ChemicalSubstance N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[oxo(3-pyridinyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide LINCS:LSM-10661 chebi.json http://purl.obolibrary.org/obo/CHEBI_99282 2_STAR CHEBI:99283 biolink:ChemicalSubstance (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide LINCS:LSM-10662 chebi.json http://purl.obolibrary.org/obo/CHEBI_99283 2_STAR CHEBI:99284 biolink:ChemicalSubstance (5R,6S,9R)-14-[[cyclobutyl(oxo)methyl]amino]-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide LINCS:LSM-10663 chebi.json http://purl.obolibrary.org/obo/CHEBI_99284 2_STAR CHEBI:99285 biolink:ChemicalSubstance 2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(2-methoxyphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester LINCS:LSM-10664 chebi.json http://purl.obolibrary.org/obo/CHEBI_99285 2_STAR CHEBI:51264 biolink:ChemicalSubstance 1,2,3-triazolidine chebi.json 1,2,3-triazolidine http://purl.obolibrary.org/obo/CHEBI_51264 3_STAR CHEBI:99286 biolink:ChemicalSubstance 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-methoxyethyl)acetamide LINCS:LSM-10665 chebi.json http://purl.obolibrary.org/obo/CHEBI_99286 2_STAR CHEBI:145406 biolink:ChemicalSubstance 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid An aromatic ether that is 2-(4-hydroxyphenoxy)propanoic acid in which the hydrogen of the hydroxy group at position 4 has been substituted by a 2,4-dichlorophenyl group. chebi.json 2-[4-(2,4-dichlorophenoxy)phenoxy]propanoic acid http://purl.obolibrary.org/obo/CHEBI_145406 3_STAR CHEBI:51265 biolink:ChemicalSubstance 1,2,4-triazolidine A triazolidine that is cyclopentane in which the methylene groups at positions 1, 2 and 4 are replaced by NH groups Patent:US2003191115|Patent:US2003212054|Patent:US2003195201|Reaxys:14158208 chebi.json 1,2,4-triazolidine|tetrahydro-1,2,4-triazole http://purl.obolibrary.org/obo/CHEBI_51265 3_STAR CHEBI:99287 biolink:ChemicalSubstance 2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester LINCS:LSM-10666 chebi.json http://purl.obolibrary.org/obo/CHEBI_99287 2_STAR CHEBI:145407 biolink:ChemicalSubstance sulfaethoxypyridazine A sulfonamide consisting of 6-ethoxypyridazine with a 4-aminobenzenesulfonamido group at the 3-position. Generally licensed for veterinary use only against bacterial infections, such as fowl cholera and salmonella infection. CAS:963-14-4|PMID:5963854|PMID:5831049|PMID:6059670|DrugBank:DB11462|PMID:30580515|PMID:5189754 chebi.json N(1)-(6-ethoxypyridazin-3-yl)sulphanilamide|4-amino-N-(6-ethoxypyridazin-3-yl)benzene-1-sulfonamide|4-amino-N-(6-ethoxy-3-pyridazinyl)benzenesulfonamide|4-amino-N-(6-ethoxypyridazin-3-yl)benzenesulfonamide|N(1)-(6-ethoxy-3-pyridazinyl)sulfanilamide http://purl.obolibrary.org/obo/CHEBI_145407 3_STAR CHEBI:51266 biolink:ChemicalSubstance gelator chebi.json http://purl.obolibrary.org/obo/CHEBI_51266 1_STAR CHEBI:99288 biolink:ChemicalSubstance N-[(2S,4aR,12aR)-5-methyl-6-oxo-2-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-3,4-difluorobenzamide LINCS:LSM-10667 chebi.json http://purl.obolibrary.org/obo/CHEBI_99288 2_STAR CHEBI:145408 biolink:ChemicalSubstance ketene acetal An organooxygen compound having the structure RR'C=C(OR'')(OR''') where R'', R''' =/= H. Formally, they are ethers of the enolic form of esters. They bear the same structural relationship to ketenes that acetals bear to aldehydes and ketones. PMID:31591611|PMID:29105983|PMID:29105232|PMID:26215516|PMID:30540444|PMID:26169193|PMID:29786907 chebi.json ketene acetals http://purl.obolibrary.org/obo/CHEBI_145408 3_STAR CHEBI:51267 biolink:ChemicalSubstance swelling agent A role played by a compound in a fluid state in swelling a gel, network, or solid. chebi.json http://purl.obolibrary.org/obo/CHEBI_51267 3_STAR CHEBI:145409 biolink:ChemicalSubstance 4-{[(4-aminophenyl)sulfonyl]amino}butanoic acid A sulfonamide consisting of butanoic acid with a 4-aminobenzenesulfonamido group at its 4-position. CAS:457942-90-4|PMID:30580515 chebi.json 4-{[(4-Aminophenyl)sulfonyl]amino}butansaeure|4-[(4-aminobenzene-1-sulfonyl)amino]butanoic acid|4-{[(4-aminophenyl)sulfonyl]amino}butyric acid|acide 4-{[(4-aminophenyl)sulfonyl]amino}butanoique http://purl.obolibrary.org/obo/CHEBI_145409 3_STAR CHEBI:99289 biolink:ChemicalSubstance LSM-10668 LINCS:LSM-10668 chebi.json http://purl.obolibrary.org/obo/CHEBI_99289 2_STAR CHEBI:51260 biolink:ChemicalSubstance triazoline chebi.json http://purl.obolibrary.org/obo/CHEBI_51260 3_STAR CHEBI:51261 biolink:ChemicalSubstance triazolines Molecules containing a triazoline skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51261 3_STAR CHEBI:170440 biolink:ChemicalSubstance TG(20:3(5Z,8Z,11Z)/18:0/18:3(6Z,9Z,12Z)) Chemspider:59658879|HMDB:HMDB0050927 chebi.json [(2R)-2-octadecanoyloxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate http://purl.obolibrary.org/obo/CHEBI_170440 2_STAR CHEBI:51262 biolink:ChemicalSubstance triazolidines Molecules containing a triazolidine skeleton. chebi.json http://purl.obolibrary.org/obo/CHEBI_51262 3_STAR CHEBI:170441 biolink:ChemicalSubstance PE(14:1(9Z)/22:0) Chemspider:24768379|HMDB:HMDB0008874|LIPID_MAPS_instance:LMGP02010447 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] docosanoate http://purl.obolibrary.org/obo/CHEBI_170441 2_STAR CHEBI:51263 biolink:ChemicalSubstance triazolidine chebi.json http://purl.obolibrary.org/obo/CHEBI_51263 3_STAR CHEBI:170453 biolink:ChemicalSubstance PS(22:0/14:1(9Z)) Chemspider:74876151|LIPID_MAPS_instance:LMGP03010702|HMDB:HMDB0112708 chebi.json (2S)-2-amino-3-[[(2R)-3-docosanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170453 2_STAR CHEBI:170454 biolink:ChemicalSubstance TG(20:1(11Z)/18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) HMDB:HMDB0050503|Chemspider:59660435 chebi.json [(2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170454 2_STAR CHEBI:170455 biolink:ChemicalSubstance PS(14:1(9Z)/22:0) LIPID_MAPS_instance:LMGP03010134|HMDB:HMDB0112279|Chemspider:74875725 chebi.json (2S)-2-amino-3-[[(2R)-2-docosanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170455 2_STAR CHEBI:170456 biolink:ChemicalSubstance TG(20:1(11Z)/18:1(11Z)/18:4(6Z,9Z,12Z,15Z)) HMDB:HMDB0050484|Chemspider:59660417 chebi.json [(2S)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170456 2_STAR CHEBI:51257 biolink:ChemicalSubstance 6alpha-[(R)-1-hydroxyethyl]-2-[(R)-tetrahydrofuran-2-yl]pen-2-em-3-carboxylic acid CAS:106560-14-9|Beilstein:7305146|Drug_Central:1131 chebi.json (+)-(5R,6S)-6-((1R)-1-hydroxyethyl)-7-oxo-3-((2R)-tetrahydro-2-furyl)-4-thia-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid|faropenem|6alpha-[(1R)-1-hydroxyethyl]-2-[(2R)-tetrahydrofuran-2-yl]-2,3-didehydropenam-3-carboxylic acid|fropenem|(5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-tetrahydrofuran-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_51257 3_STAR CHEBI:170457 biolink:ChemicalSubstance PS(20:1(11Z)/16:0) HMDB:HMDB0112543|LIPID_MAPS_instance:LMGP03010534|Chemspider:74875986 chebi.json (2S)-2-amino-3-[[(2R)-2-hexadecanoyloxy-3-[(Z)-icos-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170457 2_STAR CHEBI:170458 biolink:ChemicalSubstance PS(20:0/16:1(9Z)) HMDB:HMDB0112515|LIPID_MAPS_instance:LMGP03010514|Chemspider:74875958 chebi.json (2S)-2-amino-3-[[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-icosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170458 2_STAR CHEBI:51258 biolink:ChemicalSubstance 1,2,3-triazoline chebi.json 4,5-dihydro-1H-1,2,3-triazole http://purl.obolibrary.org/obo/CHEBI_51258 3_STAR CHEBI:170459 biolink:ChemicalSubstance TG(20:1(11Z)/16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) HMDB:HMDB0050466|Chemspider:59660400 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170459 2_STAR CHEBI:51259 biolink:ChemicalSubstance 1,2,4-triazoline chebi.json 2,3-dihydro-1H-1,2,4-triazole http://purl.obolibrary.org/obo/CHEBI_51259 3_STAR CHEBI:99270 biolink:ChemicalSubstance N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxybenzenesulfonamide LINCS:LSM-10649 chebi.json http://purl.obolibrary.org/obo/CHEBI_99270 2_STAR CHEBI:99271 biolink:ChemicalSubstance (3R)-2-[(R)-tert-butylsulfinyl]-N-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)-4-[3-(3-pyridinyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide LINCS:LSM-10650 chebi.json http://purl.obolibrary.org/obo/CHEBI_99271 2_STAR CHEBI:99272 biolink:ChemicalSubstance LSM-10651 LINCS:LSM-10651 chebi.json http://purl.obolibrary.org/obo/CHEBI_99272 2_STAR CHEBI:99273 biolink:ChemicalSubstance (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(4-cyanophenyl)phenyl]-3-(2-hydroxyethyl)-N-[(4-methoxyphenyl)methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide LINCS:LSM-10652 chebi.json http://purl.obolibrary.org/obo/CHEBI_99273 2_STAR CHEBI:99274 biolink:ChemicalSubstance N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-pyrazinecarboxamide LINCS:LSM-10653 chebi.json http://purl.obolibrary.org/obo/CHEBI_99274 2_STAR CHEBI:99275 biolink:ChemicalSubstance 3-chloro-N-[(2R,3R)-4-[(4-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide LINCS:LSM-10654 chebi.json http://purl.obolibrary.org/obo/CHEBI_99275 2_STAR CHEBI:51253 biolink:ChemicalSubstance cyclyl group A univalent group formed by removing a hydrogen atom from any ring atom of a cyclic compound. chebi.json cyclic group|cyclyl groups http://purl.obolibrary.org/obo/CHEBI_51253 3_STAR CHEBI:51254 biolink:ChemicalSubstance amoxicillin trihydrate A hydrate that is the trihydrate form of amoxicillin; a semisynthetic antibiotic, used either alone or in combination with potassium clavulanate (under the trade name Augmentin) for treatment of a variety of bacterial infections. KEGG:D00229|DrugBank:DB01060|CAS:61336-70-7|Beilstein:7507120 chebi.json Robamox|Polymox|Amoxipen|BRL 2333|Larotid|Clamoxyl|Trimox|Zimox|Moxaline|6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid trihydrate http://purl.obolibrary.org/obo/CHEBI_51254 3_STAR CHEBI:99276 biolink:ChemicalSubstance 2-[(2S,4aR,12aS)-8-[[(3-chlorophenyl)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester LINCS:LSM-10655 chebi.json http://purl.obolibrary.org/obo/CHEBI_99276 2_STAR CHEBI:51255 biolink:ChemicalSubstance amoxicillin sodium An organic sodium salt that is the monosodium salt of amoxicillin. Beilstein:6050145|CAS:34642-77-8|Reaxys:6050145|PMID:27731424 chebi.json sodium 6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylate|Acuotricina|sodium amoxicillin|Ibiamox|amoxicillin natrium http://purl.obolibrary.org/obo/CHEBI_51255 3_STAR CHEBI:99277 biolink:ChemicalSubstance (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(4-methoxyphenyl)phenyl]-N,N-dimethyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide LINCS:LSM-10656 chebi.json http://purl.obolibrary.org/obo/CHEBI_99277 2_STAR CHEBI:99278 biolink:ChemicalSubstance N-[(2R,4aR,12aR)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-thiophenecarboxamide LINCS:LSM-10657 chebi.json http://purl.obolibrary.org/obo/CHEBI_99278 2_STAR CHEBI:51256 biolink:ChemicalSubstance amoxicillin(1-) Beilstein:6077298 chebi.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-carboxylate|6beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylate http://purl.obolibrary.org/obo/CHEBI_51256 3_STAR CHEBI:99279 biolink:ChemicalSubstance N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]-3-oxanyl]-3-(1-piperidinyl)propanamide LINCS:LSM-10658 chebi.json http://purl.obolibrary.org/obo/CHEBI_99279 2_STAR CHEBI:170450 biolink:ChemicalSubstance PC(18:1(11Z)/15:0) HMDB:HMDB0008066|Chemspider:24766730 chebi.json [(2R)-3-[(Z)-octadec-11-enoyl]oxy-2-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170450 2_STAR CHEBI:51250 biolink:ChemicalSubstance Alexa Fluor 594 para-isomer The 6-succinimidyloxycarbonyl isomer of Alexa Fluor 594. chebi.json [6-(2-carboxy-5-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)-1,2,2,10,10,11-hexamethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-4-yl]methanesulfonate http://purl.obolibrary.org/obo/CHEBI_51250 3_STAR CHEBI:51251 biolink:ChemicalSubstance 5,11,17,23,29,35-hexa-tert-butylcalix[6]arene-37,38,39,40,41,42-hexol Beilstein:2611918 chebi.json 5,11,17,23,29,35-hexa-tert-butylheptacyclo[31.3.1.1(3,7).1(9,13).1(15,19).1(21,25).1(27,31)]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol http://purl.obolibrary.org/obo/CHEBI_51251 3_STAR CHEBI:170451 biolink:ChemicalSubstance TG(20:1(11Z)/18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) HMDB:HMDB0050597|Chemspider:59660520 chebi.json [(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170451 2_STAR CHEBI:51252 biolink:ChemicalSubstance calix[6]arene chebi.json heptacyclo[31.3.1.1(3,7).1(9,13).1(15,19).1(21,25).1(27,31)]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene http://purl.obolibrary.org/obo/CHEBI_51252 3_STAR CHEBI:170452 biolink:ChemicalSubstance TG(20:1(11Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z)) HMDB:HMDB0050590|Chemspider:59660513 chebi.json [(2S)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170452 2_STAR CHEBI:170464 biolink:ChemicalSubstance TG(16:0/16:1(9Z)/16:0) HMDB:HMDB0044053|Chemspider:30777714 chebi.json [3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] hexadecanoate http://purl.obolibrary.org/obo/CHEBI_170464 2_STAR CHEBI:170465 biolink:ChemicalSubstance PC(P-18:1(9Z)/P-16:0) HMDB:HMDB0011331|Chemspider:24767606 chebi.json [(2R)-2-[(Z)-hexadec-1-enoxy]-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170465 2_STAR CHEBI:170466 biolink:ChemicalSubstance PC(P-18:1(11Z)/P-16:0) HMDB:HMDB0011298|Chemspider:74854277 chebi.json [(2R)-2-[(Z)-hexadec-1-enoxy]-3-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170466 2_STAR CHEBI:170467 biolink:ChemicalSubstance TG(18:0/16:0/14:1(9Z)) HMDB:HMDB0044726|Chemspider:59654137|LIPID_MAPS_instance:LMGL03014631 chebi.json [(2S)-2-hexadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170467 2_STAR CHEBI:51246 biolink:ChemicalSubstance propidium LINCS:LSM-5329|PDBeChem:PRM|DrugBank:DB02166|CAS:36015-30-2|Beilstein:3729792 chebi.json 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM|3,8-diamino-5-{3-[diethyl(methyl)ammonio]propyl}-6-phenylphenanthridinium|3,8-diamino-5-(3-(diethylmethylammonio)propyl)-6-phenylphenanthridinium http://purl.obolibrary.org/obo/CHEBI_51246 3_STAR CHEBI:170468 biolink:ChemicalSubstance PC(P-16:0/P-18:1(9Z)) Chemspider:24767510|HMDB:HMDB0011235 chebi.json [(2R)-3-[(Z)-hexadec-1-enoxy]-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170468 2_STAR CHEBI:170469 biolink:ChemicalSubstance TG(16:0/14:1(9Z)/18:0) Chemspider:59653487|HMDB:HMDB0044026 chebi.json [(2S)-3-hexadecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170469 2_STAR CHEBI:51247 biolink:ChemicalSubstance texas red Beilstein:8667894 chebi.json 5-(chlorosulfonyl)-2-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium-9-yl)benzenesulfonate|sulforhodamine 101 acid chloride|sulforhodamine 101 sulfonyl chloride http://purl.obolibrary.org/obo/CHEBI_51247 3_STAR CHEBI:51248 biolink:ChemicalSubstance Alexa Fluor 594 chebi.json http://purl.obolibrary.org/obo/CHEBI_51248 3_STAR CHEBI:51249 biolink:ChemicalSubstance Alexa Fluor 594 meta-isomer The 5-succinimidyloxycarbonyl isomer of Alexa Fluor 594. chebi.json [6-(2-carboxy-4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}phenyl)-1,2,2,10,10,11-hexamethyl-8-(sulfomethyl)-10,11-dihydro-2H-pyrano[3,2-g:5,6-g']diquinolin-1-ium-4-yl]methanesulfonate http://purl.obolibrary.org/obo/CHEBI_51249 3_STAR CHEBI:26286 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26286 CHEBI:26287 biolink:ChemicalSubstance propane-1,3-diols Any propanediol bearing hydroxy groups at positions 1 and 3. chebi.json http://purl.obolibrary.org/obo/CHEBI_26287 3_STAR CHEBI:26288 biolink:ChemicalSubstance propanediol chebi.json http://purl.obolibrary.org/obo/CHEBI_26288 1_STAR CHEBI:26282 biolink:ChemicalSubstance propanals An aldehyde based on a propanal skeleton and its derivatives. chebi.json http://purl.obolibrary.org/obo/CHEBI_26282 3_STAR CHEBI:26283 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26283 CHEBI:26284 biolink:ChemicalSubstance propane-1,2-diols chebi.json http://purl.obolibrary.org/obo/CHEBI_26284 1_STAR CHEBI:26285 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26285 CHEBI:26290 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26290 CHEBI:26292 biolink:ChemicalSubstance propanones A ketone that is propane carrying at least one oxo substituent. chebi.json http://purl.obolibrary.org/obo/CHEBI_26292 3_STAR CHEBI:51242 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_51242 CHEBI:51245 biolink:ChemicalSubstance phenanthridines Any dibenzopyridine based on the skeleton of phenanthridine and its substituted derivatives thereof. chebi.json http://purl.obolibrary.org/obo/CHEBI_51245 3_STAR CHEBI:170460 biolink:ChemicalSubstance PS(16:1(9Z)/20:0) LIPID_MAPS_instance:LMGP03010216|Chemspider:74875733|HMDB:HMDB0112287 chebi.json (2S)-2-amino-3-[[(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-icosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170460 2_STAR CHEBI:170461 biolink:ChemicalSubstance TG(20:1(11Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) HMDB:HMDB0050460|Chemspider:59660394 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170461 2_STAR CHEBI:51240 biolink:ChemicalSubstance propidium iodide CAS:25535-16-4|Beilstein:3843838 chebi.json 3,8-diamino-5-(3-(diethylmethylammonio)propyl)-6-phenylphenanthridinium diiodide|propidium diiodide|3,8-diamino-5-{3-[diethyl(methyl)ammonio]propyl}-6-phenylphenanthridinium diiodide http://purl.obolibrary.org/obo/CHEBI_51240 3_STAR CHEBI:170462 biolink:ChemicalSubstance PS(16:0/20:1(11Z)) LIPID_MAPS_instance:LMGP03010967|HMDB:HMDB0112286|Chemspider:74875732 chebi.json (2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-icos-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid http://purl.obolibrary.org/obo/CHEBI_170462 2_STAR CHEBI:51241 biolink:ChemicalSubstance carphenazine maleate A maleate salt obtained by combining carphenazine with two molar equivalents of maleic acid. Chemspider:4938524|PMID:13942171|Beilstein:5709373|CAS:2975-34-0|KEGG:D02644|Reaxys:15397689|PMID:13753478|PMID:14106361|DrugBank:DBSALT001419|PMID:14293955|PMID:5597274|PMID:13730928|PMID:5843584|PMID:14064235|PMID:14496086 chebi.json WY-2445|1-Propanone, 1-(10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-10H-phenothiazin-2-yl)-, (Z)-2-butenedioate (1:2)|proketazine maleate|proketazine dimaleate|1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)propan-1-one di[(2Z)-but-2-enedioate]|Carphenazine dimaleate|Carfenazine maleate|1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)propan-1-one (2Z)-but-2-enedioate (1:2)|Proketazine|1-(10-(3-(4-(2-Hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanone maleate(1:2) http://purl.obolibrary.org/obo/CHEBI_51241 3_STAR CHEBI:170463 biolink:ChemicalSubstance TG(20:0/14:0/14:1(9Z)) HMDB:HMDB0045480|Chemspider:59654837 chebi.json [(2S)-2-tetradecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170463 2_STAR CHEBI:51239 biolink:ChemicalSubstance ethylmagnesium chloride Gmelin:25601|Beilstein:3647886|CAS:2386-64-3 chebi.json chloroethylmagnesium|chloro(ethyl)magnesium http://purl.obolibrary.org/obo/CHEBI_51239 3_STAR CHEBI:170475 biolink:ChemicalSubstance TG(15:0/18:1(9Z)/15:0) HMDB:HMDB0043250|Chemspider:30777692 chebi.json 1,3-di(pentadecanoyloxy)propan-2-yl (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170475 2_STAR CHEBI:170476 biolink:ChemicalSubstance PA(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)) HMDB:HMDB0115497|LIPID_MAPS_instance:LMGP10010609|Chemspider:74877235 chebi.json [(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-phosphonooxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate http://purl.obolibrary.org/obo/CHEBI_170476 2_STAR CHEBI:170477 biolink:ChemicalSubstance TG(15:0/18:1(11Z)/15:0) HMDB:HMDB0043221|Chemspider:30777689 chebi.json 1,3-di(pentadecanoyloxy)propan-2-yl (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170477 2_STAR CHEBI:170478 biolink:ChemicalSubstance PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) Chemspider:74877146|HMDB:HMDB0115406|LIPID_MAPS_instance:LMGP10010826 chebi.json [(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate http://purl.obolibrary.org/obo/CHEBI_170478 2_STAR CHEBI:51235 biolink:ChemicalSubstance carfenazine A member of the class of phenothiazines that is 10H-phenothiazine which carries a propanoyl group at position 2 and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at position N-10. It is an antipsychotic drug that is used for the treatment of chronic schizophrenia. PMID:4876301|PMID:13691129|PMID:14243317|Wikipedia:Carphenazine|PMID:5338760|PMID:14020488|Drug_Central:516|PMID:13744855|Chemspider:21865853|Patent:US3023146|PMID:14218188|PMID:14106361|PMID:13959058|Patent:US2985654|PMID:14129292|PMID:4861216|PMID:6021593|CAS:2622-30-2|DrugBank:DB01038|PMID:14050412|PMID:4889058|CAS:2622-30-2|PMID:14089798|PMID:14480089|PMID:13730922|PMID:14267601|PMID:4887393|PMID:14286057|HMDB:HMDB0015172|PMID:13745448|PMID:13753477|PMID:13777037|PMID:13921145|PMID:13865331|PMID:4863506|PMID:13769690|Beilstein:901640|PMID:13716073 chebi.json carfenazinum|1-(10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanone|1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)propan-1-one|carphenazine|carfenazine|carfenazina http://purl.obolibrary.org/obo/CHEBI_51235 3_STAR CHEBI:170479 biolink:ChemicalSubstance TG(15:0/15:0/18:1(9Z)) LIPID_MAPS_instance:LMGL03012878 chebi.json [(2R)-2,3-di(pentadecanoyloxy)propyl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170479 2_STAR CHEBI:51236 biolink:ChemicalSubstance organomagnesium halide An organomagnesium compound where the magnesium atom is bound to a halogen atom. chebi.json organomagnesium halides http://purl.obolibrary.org/obo/CHEBI_51236 3_STAR CHEBI:51237 biolink:ChemicalSubstance Grignard reagent A role played by an organomagnesium halide in a Grignard reaction. chebi.json Grignards Reagens http://purl.obolibrary.org/obo/CHEBI_51237 3_STAR CHEBI:51238 biolink:ChemicalSubstance phenylmagnesium bromide CAS:100-58-3|Gmelin:3008|Beilstein:606081 chebi.json bromo(phenyl)magnesium|bromophenylmagnesium http://purl.obolibrary.org/obo/CHEBI_51238 3_STAR CHEBI:26297 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26297 CHEBI:26294 biolink:ChemicalSubstance propionyl group chebi.json Pp|propionyl|CH3-CH2-CO-|propanoyl http://purl.obolibrary.org/obo/CHEBI_26294 3_STAR CHEBI:26295 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26295 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. chebi.json propionoyl-CoAs http://purl.obolibrary.org/obo/CHEBI_26296 3_STAR CHEBI:99290 biolink:ChemicalSubstance 2-[(1S,3S,4aR,9aS)-6-[[(cyclopentylamino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide LINCS:LSM-10669 chebi.json http://purl.obolibrary.org/obo/CHEBI_99290 2_STAR CHEBI:99291 biolink:ChemicalSubstance 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[oxo-[4-(trifluoromethyl)anilino]methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide LINCS:LSM-10670 chebi.json http://purl.obolibrary.org/obo/CHEBI_99291 2_STAR CHEBI:99292 biolink:ChemicalSubstance N-[(2S,4aR,12aS)-2-[2-(dimethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-fluorobenzamide LINCS:LSM-10671 chebi.json http://purl.obolibrary.org/obo/CHEBI_99292 2_STAR CHEBI:99293 biolink:ChemicalSubstance N-[(2R,3S,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide LINCS:LSM-10672 chebi.json http://purl.obolibrary.org/obo/CHEBI_99293 2_STAR CHEBI:99294 biolink:ChemicalSubstance (2R,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile LINCS:LSM-10673 chebi.json http://purl.obolibrary.org/obo/CHEBI_99294 2_STAR CHEBI:99295 biolink:ChemicalSubstance 1-(3-fluorophenyl)-3-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea LINCS:LSM-10674 chebi.json http://purl.obolibrary.org/obo/CHEBI_99295 2_STAR CHEBI:99296 biolink:ChemicalSubstance N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(3-pyridinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclopropanecarboxamide LINCS:LSM-10675 chebi.json http://purl.obolibrary.org/obo/CHEBI_99296 2_STAR CHEBI:99297 biolink:ChemicalSubstance (2R,3R,4R)-1-[2-(dimethylamino)-1-oxoethyl]-4-(hydroxymethyl)-3-[4-(2-methoxyphenyl)phenyl]-2-azetidinecarbonitrile LINCS:LSM-10676 chebi.json http://purl.obolibrary.org/obo/CHEBI_99297 2_STAR CHEBI:51231 biolink:ChemicalSubstance DAPI Beilstein:3557399|CAS:47165-04-8 chebi.json 2-(4-(aminoiminomethyl)phenyl)-1H-indole-6-carboximidamide|2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide|4',6-diamidino-2-phenylindole|4',6-diamidinophenyl-indole http://purl.obolibrary.org/obo/CHEBI_51231 3_STAR CHEBI:99298 biolink:ChemicalSubstance N-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-3-[2-oxo-2-(3-pyridinylmethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide LINCS:LSM-10677 chebi.json http://purl.obolibrary.org/obo/CHEBI_99298 2_STAR CHEBI:51232 biolink:ChemicalSubstance 2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-2,5'-bibenzimidazole LINCS:LSM-2168|PDBeChem:HT1|KEGG:C11189|CAS:23491-52-3|Beilstein:1234011|CAS:23491-52-3 chebi.json Hoechst 33342|Hoe 33342|2'-(4-ETHOXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE|2'-(4-ethoxyphenyl)-5-(4-methylpiperazin-1-yl)-1H,1'H-2,5'-bibenzimidazole|2'-(p-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bibenzimidazole|2'-(4-ethoxyphenyl)-5-(4-methyl-1-piperazinyl)-2,5'-bi-1H-benzimidazole|bisbenzimide http://purl.obolibrary.org/obo/CHEBI_51232 3_STAR CHEBI:51233 biolink:ChemicalSubstance chromomycin A family of antibiotics isolated from Streptomyces griseus. Patent:DE1072775 chebi.json chromomycin|chromomycins http://purl.obolibrary.org/obo/CHEBI_51233 3_STAR CHEBI:99299 biolink:ChemicalSubstance LSM-10678 LINCS:LSM-10678 chebi.json http://purl.obolibrary.org/obo/CHEBI_99299 2_STAR CHEBI:51234 biolink:ChemicalSubstance magnesium halide chebi.json magnesium halides http://purl.obolibrary.org/obo/CHEBI_51234 3_STAR CHEBI:170470 biolink:ChemicalSubstance PC(P-16:0/P-18:1(11Z)) HMDB:HMDB0011234|Chemspider:24767509 chebi.json [(2R)-3-[(Z)-hexadec-1-enoxy]-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate http://purl.obolibrary.org/obo/CHEBI_170470 2_STAR CHEBI:170471 biolink:ChemicalSubstance TG(16:0/18:0/14:1(9Z)) HMDB:HMDB0043918|Chemspider:59653392 chebi.json [(2S)-1-hexadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170471 2_STAR CHEBI:170472 biolink:ChemicalSubstance PA(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) HMDB:HMDB0115548|Chemspider:74877286|LIPID_MAPS_instance:LMGP10010579 chebi.json [(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170472 2_STAR CHEBI:170473 biolink:ChemicalSubstance TG(16:0/14:0/18:1(11Z)) Chemspider:59653327|HMDB:HMDB0043836 chebi.json [(2S)-3-hexadecanoyloxy-2-tetradecanoyloxypropyl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170473 2_STAR CHEBI:51230 biolink:ChemicalSubstance bimatoprost CAS:155206-00-1|DrugBank:DB00905|KEGG:D02724 chebi.json bimatoprostum|bimatoprost|(5Z)-7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl}-N-ethylhept-5-enamide|(Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((1E,3S)-3-hydroxy-5-phenyl-1-pentenyl)cyclopentyl)-N-ethyl-5-heptenamide|bimatoprost http://purl.obolibrary.org/obo/CHEBI_51230 3_STAR CHEBI:170474 biolink:ChemicalSubstance PA(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)) Chemspider:74877236|HMDB:HMDB0115498|LIPID_MAPS_instance:LMGP10010638 chebi.json [(2R)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170474 2_STAR CHEBI:65872 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_65872 CHEBI:65873 biolink:ChemicalSubstance Eunicea sesquiterpenoid 2 A eudesmane sesquiterpenoid in which the eudesmane skeleton is substituted with an alpha-hydroxy group at C-1 (eudesmane numbering) and a methylidene group at C-4, and includes a lactone ring formed between C-12 and a beta-hydroxy group at C-6. It is isolated from Eunicea sp. and exhibits significant inhibitory effect upon the growth of the malarial parasite Plasmodium falciparum PMID:16180813 chebi.json (3S,3aS,5aS,6S,9aR,9bR)-6-hydroxy-3,5a-dimethyl-9-methylidenedecahydronaphtho[1,2-b]furan-2(3H)-one http://purl.obolibrary.org/obo/CHEBI_65873 3_STAR CHEBI:65874 biolink:ChemicalSubstance Eunicea sesquiterpenoid 3 PMID:16180813 chebi.json http://purl.obolibrary.org/obo/CHEBI_65874 2_STAR CHEBI:65875 biolink:ChemicalSubstance Eunicea sesquiterpenoid 5 PMID:16180813 chebi.json http://purl.obolibrary.org/obo/CHEBI_65875 2_STAR CHEBI:65870 biolink:ChemicalSubstance eucalyptal B An organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. Reaxys:15778337|PMID:18020353 chebi.json (1R,4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-1-(2-hydroxypropan-2-yl)-6a-methyl-4-methylidene-7-(2-methylpropyl)-2,3,4,4a,5,6,6a,7,12a,12b-decahydro-1H-benzo[c]xanthene-9,11-dicarbaldehyde http://purl.obolibrary.org/obo/CHEBI_65870 3_STAR CHEBI:65871 biolink:ChemicalSubstance eucalyptal C An organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. Reaxys:15778335|PMID:18020353 chebi.json (4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-(propan-2-ylidene)-2,3,4,4a,5,6,6a,7,12a,12b-decahydro-1H-benzo[c]xanthene-9,11-dicarbaldehyde http://purl.obolibrary.org/obo/CHEBI_65871 3_STAR CHEBI:90836 biolink:ChemicalSubstance cangrelor tetrasodium An organic sodium salt that is the tetrasodium salt of cangrelor. Used as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries. Reaxys:25804270|CAS:163706-36-3|PMID:26201463|Wikipedia:Cangrelor|CAS:163706-36-3|PMCID:PMC4517529|PMID:26488424|KEGG:D03361|PMID:16845450 chebi.json KENGREAL|tetrasodium 5'-O-[({[dichloro(phosphonato)methyl]phosphinato}oxy)phosphinato]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine http://purl.obolibrary.org/obo/CHEBI_90836 3_STAR CHEBI:90837 biolink:ChemicalSubstance 3-O-(N-acetyl-beta-D-glucosaminyl)-L-serine An O-glycosyl-L-serine having N-acetyl-beta-D-glucosaminyl as the glycosyl component. CAS:17041-36-0|PMID:6113052|Reaxys:1437875 chebi.json O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-L-serine|3-O-(2-Acetamido-2-deoxy-beta-D-glucopyranosyl)-L-serine|O-Seryl-beta-N-acetylglucosaminide http://purl.obolibrary.org/obo/CHEBI_90837 3_STAR CHEBI:90838 biolink:ChemicalSubstance O-(N-acetyl-beta-D-glucosaminyl)-L-serine residue The L-alpha-amino acid residue formed from O-(N-acetyl-beta-D-glucosaminyl)-L-serine. chebi.json O-(N-acetyl-beta-D-glucosaminyl)-L-serine residue http://purl.obolibrary.org/obo/CHEBI_90838 3_STAR CHEBI:90839 biolink:ChemicalSubstance 3-O-(N-acetyl-beta-D-glucosaminyl)-L-threonine An O-glycosyl-L-threonine having N-acetyl-beta-D-glucosaminyl as the glycosyl component. Reaxys:11223411 chebi.json O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-L-threonine http://purl.obolibrary.org/obo/CHEBI_90839 3_STAR CHEBI:65876 biolink:ChemicalSubstance Eunicea sesquiterpenoid 6 PMID:16180813 chebi.json http://purl.obolibrary.org/obo/CHEBI_65876 2_STAR CHEBI:90832 biolink:ChemicalSubstance NMNH(2-) An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of NMNH; major species at pH 7.3. chebi.json reduced beta-nicotinamide D-ribonucleotide http://purl.obolibrary.org/obo/CHEBI_90832 3_STAR CHEBI:65877 biolink:ChemicalSubstance Eunicea sesquiterpenoid 7 A sesquiterpenoid that is a carboxylic ester obtained by the formal condensation of the 6-hydroxy group of cyclodec-4-en-1-one which is also substituted by an acetyl, a methyl and a methylidene group at positions 7, 4 and 10 respectively with the carboxy group of pent-2-enoic acid substituted with a hydroxy and a methyl group at position 4. It is an antiplasmodial drug isolated from a Caribbean gorgonian coral Eunicea sp. PMID:16180813|Reaxys:15769483 chebi.json (1S,2E,10R)-10-acetyl-3-methyl-7-methylidene-6-oxocyclodec-2-en-1-yl (2E)-4-hydroxy-4-methylpent-2-enoate http://purl.obolibrary.org/obo/CHEBI_65877 3_STAR CHEBI:90833 biolink:ChemicalSubstance 5-hydroperoxy-15-HETE An icosanoid that is (6E,8Z,11Z,13E)-icosa-6,8,11,13-tetraenoic acid substituted at positions 5 and 15 by hydroperoxy and hydroxy groups respectively. PMID:8615788 chebi.json 5-Hp-15-HETE|(6E,8Z,11Z,13E)-5-hydroperoxy-15-hydroxyicosa-6,8,11,13-tetraenoic acid http://purl.obolibrary.org/obo/CHEBI_90833 3_STAR CHEBI:90834 biolink:ChemicalSubstance IPQVWRDWFKLP A twelve-membered polypeptide comprising the sequence Ile-Pro-Gln-Val-Trp-Arg-Asp-Trp-Phe-Lys-Leu-Pro. PMID:26405107 chebi.json Ile-Pro-Gln-Val-Trp-Arg-Asp-Trp-Phe-Lys-Leu-Pro|L-isoleucyl-L-prolyl-L-glutaminyl-L-valyl-L-tryptophyl-L-arginyl-L-alpha-aspartyl-L-tryptophyl-L-phenylalanyl-L-lysyl-L-leucyl-L-proline|L-Ile-L-Pro-L-Gln-L-Val-L-Trp-L-Arg-L-Asp-L-Trp-L-Phe-L-Lys-L-Leu-L-Pro http://purl.obolibrary.org/obo/CHEBI_90834 3_STAR CHEBI:65878 biolink:ChemicalSubstance 1S,6R-di(2-)methylbutanoyloxy-4S-hydroxy-8S-benzoyloxy-9R-(3-)furancarbonyloxy-13-acetyloxy-beta-dihydroagarofuran A dihydroagarofuran sesquiterpenoid that is beta-dihydroagarofuran substituted by methylbutanoyloxy groups at positions 1 and 6, a hydroxy group at position 4, a benzoyloxy group at position 8, a furancarbonyloxy group at positon 9 and an acetyloxy group at position 13. Isolated from Euonymus nanoides, it exhibits cytotoxic activity. PMID:16462067 chebi.json (3R,4S,5R,5aS,6S,9S,9aS,10R)-5a-[(acetyloxy)methyl]-4-(benzoyloxy)-9-hydroxy-2,2,9-trimethyl-6,10-bis[(2-methylbutanoyl)oxy]octahydro-2H-3,9a-methano-1-benzoxepin-5-yl furan-3-carboxylate http://purl.obolibrary.org/obo/CHEBI_65878 3_STAR CHEBI:65879 biolink:ChemicalSubstance eupaheliangolide A A sesquiterpene lactone of the heliangolide group isolated from Eupatorium kiirunense and exhibits cytotoxicity against human oral epidermoid (KB), cervical epitheloid (Hela) and liver (hepa59T/VGH) carcinoma cells. PMID:15921421|Reaxys:11258334 chebi.json (3aR,4R,6R,7E,10Z,11aR)-6-hydroxy-6,10-dimethyl-3-methylidene-2,9-dioxo-2,3,3a,4,5,6,9,11a-octahydrocyclodeca[b]furan-4-yl(2E)-2-methylbut-2-enoate|8beta-tigloyloxy-10alpha-hydroxy-3-oxo-6betaH,7alphaH-helianga-1E,4Z,11(13)-trien-6,12-olide http://purl.obolibrary.org/obo/CHEBI_65879 3_STAR CHEBI:90830 biolink:ChemicalSubstance VSWKTWFPNLAV A twelve-membered polypeptide comprising the sequence Val-Ser-Trp-Lys-Thr-Trp-Phe-Pro-Asn-Leu-Ala-Val. PMID:26405107 chebi.json L-valyl-L-seryl-L-tryptophyl-L-lysyl-L-threonyl-L-tryptophyl-L-phenylalanyl-L-prolyl-L-asparaginyl-L-leucyl-L-alanyl-L-valine|L-Val-L-Ser-L-Trp-L-Lys-L-Thr-L-Trp-L-Phe-L-Pro-L-Asn-L-Leu-L-Ala-L-Val|Val-Ser-Trp-Lys-Thr-Trp-Phe-Pro-Asn-Leu-Ala-Val http://purl.obolibrary.org/obo/CHEBI_90830 3_STAR CHEBI:90831 biolink:ChemicalSubstance YSPFHKWFPSMH A twelve-membered polypeptide comprising the sequence Tyr-Ser-Pro-Phe-His-Lys-Trp-Phe-Pro-Ser-Met-His. PMID:26405107 chebi.json L-Tyr-L-Ser-L-Pro-L-Phe-L-His-L-Lys-L-Trp-L-Phe-L-Pro-L-Ser-L-Met-L-His|Tyr-Ser-Pro-Phe-His-Lys-Trp-Phe-Pro-Ser-Met-His|L-tyrosyl-L-seryl-L-prolyl-L-phenylalanyl-L-histidyl-L-lysyl-L-tryptophyl-L-phenylalanyl-L-prolyl-L-seryl-L-methionyl-L-histidine http://purl.obolibrary.org/obo/CHEBI_90831 3_STAR CHEBI:65883 biolink:ChemicalSubstance Euphorbia diterpenoid 1 A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against prolyl endopeptidase (EC 3.4.21.26). PMID:12808253|Reaxys:9461711 chebi.json (2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10R,10aR)-5,10a-bis(acetyloxy)-3-(butanoyloxy)-9,10-dihydroxy-2,9-dimethyl-8-(prop-1-en-2-yl)-2,3,3a,4,5,8,8a,9,10,10a-decahydro-1H-10,4a-(epoxymethano)benzo[f]azulen-4-yl benzoate http://purl.obolibrary.org/obo/CHEBI_65883 3_STAR CHEBI:65884 biolink:ChemicalSubstance Euphorbia diterpenoid 2 A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against urease. Reaxys:9460756|PMID:12808253 chebi.json (2S,3S,3aR,4R,4aR,5R,8S,8aR,9S,10R,10aR)-3,5,10a-tris(acetyloxy)-9,10-dihydroxy-2,9-dimethyl-8-(prop-1-en-2-yl)-2,3,3a,4,5,8,8a,9,10,10a-decahydro-1H-10,4a-(epoxymethano)benzo[f]azulen-4-yl pyridine-3-carboxylate http://purl.obolibrary.org/obo/CHEBI_65884 3_STAR CHEBI:65885 biolink:ChemicalSubstance Euphorbia diterpenoid 3 A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against prolyl endopeptidase (EC 3.4.21.26). Reaxys:9459298|PMID:12808253 chebi.json (2aS,5R,5aR,6R,6aR,7S,8S,9aR,10aS,10bR)-5,6-bis(acetyloxy)-5a-[(acetyloxy)methyl]-9a-hydroxy-2,2,8,10a-tetramethyl-10-oxo-2a,5,5a,6,6a,7,8,9,9a,10,10a,10b-dodecahydro-2H-1-oxabenzo[cd]cyclopenta[g]azulen-7-yl benzoate http://purl.obolibrary.org/obo/CHEBI_65885 3_STAR CHEBI:65886 biolink:ChemicalSubstance euphornin L A macrocyclic diterpenoid isolated from Euphorbia helioscopia and has been shown to exhibit cytotoxicity against HL-60 cell lines. PMID:19099222|PMID:18452010 chebi.json (1S,2R,3aR,4R,5S,6E,9R,11R,12E,13aS)-3a,4,9,11-tetrakis(acetyloxy)-2,5,8,8,12-pentamethyl-2,3,3a,4,5,8,9,10,11,13a-decahydro-1H-cyclopenta[12]annulen-1-yl benzoate http://purl.obolibrary.org/obo/CHEBI_65886 3_STAR CHEBI:90818 biolink:ChemicalSubstance 18(R)-HEPE(1-) An icosanoid anion that is the conjugate base of 18(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3. PMID:11034610|MetaCyc:CPD66-68 chebi.json 18R-hydroxy-eicosapentaenoate|(18R)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate|18R-hydroxy-icosapentaenoate|(18R)-hydroxy-(5Z,8Z,11Z,14Z,16E)-icosapentaenoate(1-)|18R-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate(1-)|(5Z,8Z,11Z,14Z,16E,18R)-18-hydroxyicosapentaenoate|(5Z,8Z,11Z,14Z,16E,18R)-18-hydroxyicosa-5,8,11,14,16-pentaenoate http://purl.obolibrary.org/obo/CHEBI_90818 3_STAR CHEBI:90819 biolink:ChemicalSubstance 15(R)-HEPE(1-) An icosanoid anion that is the conjugate base of 15(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3. PMID:11034610|MetaCyc:CPD66-52 chebi.json (5Z,8Z,11Z,13E,15R,17Z)-15-hydroxyicosapentaenoate|(15R)-hydroxy-(5Z,8Z,11Z,13E,17Z)-icosapentaenoate|(15R)-hydroxy-(5Z,8Z,11Z,13E,17Z)-eicosapentaenoate|(15R)-hydroxyeicosapentaenoate|(5Z,8Z,11Z,13E,15R,17Z)-15-hydroxyicosa-5,8,11,13,17-pentaenoate|(15R)-hydroxy-(5Z,8Z,11Z,13E,17Z)-eicosapentaenoate http://purl.obolibrary.org/obo/CHEBI_90819 3_STAR CHEBI:65880 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_65880 CHEBI:65881 biolink:ChemicalSubstance 3-epi-heliangin A sesquiterpene lactone that is a 3alpha-hydroxy epimer of heliangin. Isolated from Eupatorium kiirunense, it exhibits cytotoxicity against human oral epidermoid (KB), cervical epitheloid (Hela) and liver (hepa59T/VGH) carcinoma cells. PMID:15921421|Reaxys:11258336 chebi.json 8beta-tigloyloxy-3alpha-hydroxy-1alpha,10-epoxy-6betaH,7alphaH-helianga-4Z,11(13)-dien-6,12-olide|10-epoxy-6betaH,7alphaH-helianga-4Z,11(13)-dien-6,12-olide|(1aR,3R,4E,5aR,8aR,9R,10aR)-3-hydroxy-4,10a-dimethyl-8-methylidene-7-oxo-1a,2,3,5a,7,8,8a,9,10,10a-decahydrooxireno[5,6]cyclodeca[1,2-b]furan-9-yl (2E)-2-methylbut-2-enoate http://purl.obolibrary.org/obo/CHEBI_65881 3_STAR CHEBI:65882 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_65882 CHEBI:90825 biolink:ChemicalSubstance 18-HEPE(1-) An icosanoid anion that is the conjugate base of 18-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3. PMID:17114001 chebi.json 18-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate|(5Z,8Z,11Z,14Z,16E)-18-hydroxyicosa-5,8,11,14,16-pentaenoate|18-hydroxy-(5Z,8Z,11Z,14Z,16E)-icosapentaenoate|(5Z,8Z,11Z,14Z,16E)-18-hydroxyicosapentaenoate|18-HEPE http://purl.obolibrary.org/obo/CHEBI_90825 3_STAR CHEBI:90826 biolink:ChemicalSubstance (5S)-hydroperoxy-18-hydroxy-EPE(1-) An icosanoid anion that is the conjugate base of (5S)-hydroperoxy-18-hydroxy-EPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3. PMID:17114001 chebi.json (5S)-hydroperoxy-18-hydroxy-(6E,8Z,11Z,14Z,16E)-eicosapentaenoate|(5S,6E,8Z,11Z,14Z,16E)-5-hydroperoxy-18-hydroxyicosapentaenoate|(5S)-hydroperoxy-18-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoate|(5S,6E,8Z,11Z,14Z,16E)-5-hydroperoxy-18-hydroxyicosa-6,8,11,14,16-pentaenoate|(5S)-hydroperoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoate http://purl.obolibrary.org/obo/CHEBI_90826 3_STAR CHEBI:90827 biolink:ChemicalSubstance prostaglandin F2beta(1-) A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin F2beta, obtained by deprotonation of the carboxy group; major species at pH 7.3. chebi.json (5Z,9beta,11alpha,13E,15S)-9,11,15-trihydroxyprosta-5,13-dien-1-oate|(5Z,13E,15S)-9beta,11alpha,15-trihydroxyprosta-5,13-dien-1-oate http://purl.obolibrary.org/obo/CHEBI_90827 3_STAR CHEBI:90828 biolink:ChemicalSubstance CHZ868 A memger of the class of benzimidazoles that is benzimidazole that is substituted by methyl groups at positions 1 and 4, by a 2,4-difluoroanilino group at position 2, and by a (2-acetamidopyridin-4-yl)oxy group at position 5. It is a type II JAK2 inhibitor with antineoplastic activity. PMID:26432382|PMID:26175414|PMID:26175413 chebi.json CHZ 868|N-(4-{[2-(2,4-difluoroanilino)-1,4-dimethyl-1H-benzimidazol-5-yl]oxy}pyridin-2-yl)acetamide|N-[4-[2-[[2,4-bis(fluoranyl)phenyl]amino]-1,4-dimethyl-benzimidazol-5-yl]oxypyridin-2-yl]ethanamide|CHZ-868 http://purl.obolibrary.org/obo/CHEBI_90828 3_STAR CHEBI:90821 biolink:ChemicalSubstance 15-HPETE(1-) A HPETE anion that is the conjugate base of 15-HPETE arising from deprotonation of the carboxylic acid group; major species at pH 7.3. PMID:10542053 chebi.json 15-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoate|15-hydroperoxy-(5Z,8Z,11Z,13E)-eicosatetraenoate|(5Z,8Z,11Z,13E)-15-hydroperoxyicosa-5,8,11,13-tetraenoate|(5Z,8Z,11Z,13E)-15-hydroperoxyicosatetraenoate http://purl.obolibrary.org/obo/CHEBI_90821 3_STAR CHEBI:65887 biolink:ChemicalSubstance eurycomanone A quassinoid isolated from Eurycoma longifolia and has been shown to exhibit antineoplastic and antimalarial activties. Reaxys:3635742|CAS:84633-29-4|PMID:1800638 chebi.json Pasakbumin-A|(1beta,11beta,12alpha,15beta)-1,11,12,14,15-pentahydroxy-11,20-epoxypicrasa-3,13(21)-diene-2,16-dione|Picrasa-3,13(21)-diene-2,16-dione,11,2O-epoxy-1,11,12,14,15-pentahydroxy-,(1beta,11beta,12alpha,15beta)-,dihydrate http://purl.obolibrary.org/obo/CHEBI_65887 3_STAR CHEBI:65888 biolink:ChemicalSubstance eurysterol A An organic sodium salt that is a monosodium salt of eurysterol A sulfonic acid. Isolated from an undescribed marine sponge of the genus Euryspongia collected in Palau, it is cytotoxic and exhibits antifungal activity against both amphotericin B-resistant and wild-type strains of Candida albicans. Reaxys:11166278|PMID:17378608 chebi.json sodium 5alpha-cholestan-8,19-epoxy-3beta,5,6beta-triol-3-sulphate|sodium (3beta,5alpha,6beta)-5,6-dihydroxy-8,19-epoxycholestan-3-yl sulfate http://purl.obolibrary.org/obo/CHEBI_65888 3_STAR CHEBI:90822 biolink:ChemicalSubstance 5-HPETE(1-) A HPETE anion that is the conjugate base of 5-HPETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:10542053 chebi.json 5-hydroperoxy-(6E,8Z,11Z,14Z)-eicosatetraenoate|(6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoate|(6E,8Z,11Z,14Z)-5-hydroperoxyicosatetraenoate|5-hydroperoxy-(6E,8Z,11Z,14Z)-icosatetraenoate http://purl.obolibrary.org/obo/CHEBI_90822 3_STAR CHEBI:65889 biolink:ChemicalSubstance eurysterol B An organic sodium salt that is monosodium salt of eurysterol B sulfonic acid. Isolated from an undescribed marine sponge of the genus Euryspongia collected in Palau, it is cytotoxic and exhibits antifungal activity against both amphotericin B-resistant and wild-type strains of Candida albicans. Reaxys:11166279|PMID:17378608 chebi.json sodium(3beta,5alpha,6beta,22E)-5,6-dihydroxy-8,19-epoxycholest-22-en-3-yl sulfate|sodium (22E)-5alpha-cholest-22-en-8,19-epoxy-3beta,5,6beta-triol-3-sulphate http://purl.obolibrary.org/obo/CHEBI_65889 3_STAR CHEBI:90823 biolink:ChemicalSubstance 13-HPODE(1-) A hydroperoxy fatty acid anion that is the conjugate base of 13-HPODE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:10542053 chebi.json 13-hydroperoxy-(9Z,11E)-octadecadienoate|(9Z,11E)-13-hydroperoxyoctadeca-9,11-dienoate http://purl.obolibrary.org/obo/CHEBI_90823 3_STAR CHEBI:90824 biolink:ChemicalSubstance (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosapentaenoate A polyunsaturated fatty acid anion that is the conjugate base of (13R)-hydroxy-(7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid, arising from deprotonation of the carboxylic acid group; major species at pH 7.3. It is an intermediate in 13-series resolvins biosynthesis from DPA (omega-3). PMID:26236990 chebi.json (7Z,10Z,13R,14E,16Z,19Z)-13-hydroxydocosa-7,10,14,16,19-pentaenoate|13R-hydroxy-(7Z,10Z,14E,16Z,19Z)-docosapentaenoate|13R-HDPA(1-) http://purl.obolibrary.org/obo/CHEBI_90824 3_STAR CHEBI:90820 biolink:ChemicalSubstance 11(R)-HEPE(1-) An icosanoid anion that is the conjugate base of 11(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3. PMID:11034610 chebi.json (11R)-hydroxy-(5Z,8Z,12E,14Z,17Z)-eicosapentaenoate|(11R)-hydroxy-(5Z,8Z,12E,14Z,17Z)-icosapentaenoate|(5Z,8Z,11R,12E,14Z,17Z)-11-hydroxyicosapentaenoate|(5Z,8Z,11R,12E,14Z,17Z)-11-hydroxyicosa-5,8,12,14,17-pentaenoate|(11R)-hydroxy-(5Z,8Z,12E,14Z,17Z)-eicosapentaenoate http://purl.obolibrary.org/obo/CHEBI_90820 3_STAR CHEBI:65894 biolink:ChemicalSubstance F390C A member of the class xanthones which consists of a dihydroxanthone skeleton substituted by hydroxy groups at positions 4 and 8, a hydroxymethyl group at position 6 and a methoxycarbonyl group at position 4a (the 4R,4aS stereoisomer). It is isolated from Penicillium and exhibits potent antitumour activity against both human and murine tumour cell lines. Reaxys:8161679|PMID:10784438|PMID:9711252 chebi.json methyl (4R,4aS)-4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-4,9-dihydro-4aH-xanthene-4a-carboxylate http://purl.obolibrary.org/obo/CHEBI_65894 3_STAR CHEBI:65895 biolink:ChemicalSubstance fattiviracin A1 A carbohydrate-containing antibiotic isolated from the fermentation broth of Streptomyces microflavus strain No. 2445 and exhibits antiviral activity against herpes simplex virus type 1 (HSV-1), varicella-zoster virus (VZV), influenza A virus and human immunodeficiency virus type 1 (HIV-1). PMID:9820232|CAS:214417-77-3|Reaxys:8186205|PMID:9918397 chebi.json http://purl.obolibrary.org/obo/CHEBI_65895 3_STAR CHEBI:65896 biolink:ChemicalSubstance FD-211 A delta-lactone that is 3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-one substituted by a hydroxy group at position 3 and propenyl groups at positions 5 and 7. Isolated from the fermantation broth of Myceliophthora lutea TF-0409, it exhibits broad spectrum activity against cultured tumor cell lines, including adriamycin-resistant HL-60 cells. PMID:7706120|Reaxys:7297870 chebi.json 3-hydroxy-5,7-di[(1E)-prop-1-en-1-yl]-3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-one http://purl.obolibrary.org/obo/CHEBI_65896 3_STAR CHEBI:65897 biolink:ChemicalSubstance flavaspidic acid AB A polyphenol that is a phloroglucinol derivative isolated from the rhizomes of Dryopteris crassirhizoma and has been shown to exhibit radical scavenging and antibacterial activity. Reaxys:2067974|PMID:12951487|Chemspider:23275362 chebi.json http://purl.obolibrary.org/obo/CHEBI_65897 3_STAR CHEBI:65890 biolink:ChemicalSubstance evolvoid A A cinnamate ester obtained by the formal condensation of the carboxy group of trans-caffeic acid with 2-methylbutane-1,2,3-triol and in which the hydroxy group at position 4 is replaced by a 2,3,4-trihydroxy-2-methylbutyl]oxy group. Isolated from the whole plants of Evolvulus alsinoides, it exhibits characteristics of an Ayurvedic crude drug. PMID:17473466|Reaxys:11171004 chebi.json 2,3,4-trihydroxy-3-methylbutyl-3-[3-hydroxy-4-(2,3,4-trihydroxy-2-methyl-butoxy)-phenyl]-2-propenoate|(2S,3S)-2,3,4-trihydroxy-3-methylbutyl (2E)-3-(3-hydroxy-4-{[(2R,3R)-2,3,4-trihydroxy-2-methylbutyl]oxy}phenyl)prop-2-enoate http://purl.obolibrary.org/obo/CHEBI_65890 3_STAR CHEBI:65891 biolink:ChemicalSubstance exiguaflavanone A A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 2' and 6' and a lavandulyl group at position 8. Isolated from Sophora exigua and Artemisia indica, it exhibits antimalarial activity. LIPID_MAPS_instance:LMPK12140111|PMID:9748386|Reaxys:5362663 chebi.json (2S)-2-(2,6-dihydroxyphenyl)-5,7-dihydroxy-8-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-2,3-dihydro-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65891 3_STAR CHEBI:65892 biolink:ChemicalSubstance exiguaflavanone B A trihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 2' and 6', a lavandulyl group at position 8 and a methoxy group at position 7. Isolated from Sophora exigua and Artemisia indica, it exhibits antimalarial activity. LIPID_MAPS_instance:LMPK12140112|Reaxys:5363726|PMID:9748386 chebi.json http://purl.obolibrary.org/obo/CHEBI_65892 3_STAR CHEBI:65893 biolink:ChemicalSubstance F390B A member of the class xanthones which consists of a dihydroxanthone skeleton substituted by a acetyloxy group at position 4, a hydroxy group at position 8, a methyl group at position 6 and a methoxycarbonyl group at position 4a (the 4R,4aS stereoisomer). It is isolated from Penicillium and exhibits potent antitumour activity against both human and murine tumour cell lines. Reaxys:8160407|PMID:10784438|PMID:9711252 chebi.json methyl (4R,4aS)-4-(acetyloxy)-8-hydroxy-6-methyl-9-oxo-4,9-dihydro-4aH-xanthene-4a-carboxylate http://purl.obolibrary.org/obo/CHEBI_65893 3_STAR CHEBI:90858 biolink:ChemicalSubstance alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-N-acylsphingosine(2-) An alpha-Neu5NAc-(2->8)-alpha-Neu5NAc-(2->3)-beta-D-Gal-(1<->1')-ceramide(2-) obtained by deprotonation of the carboxy groups of alpha-Neu5NAc-(2->8)-alpha-Neu5NAc-(2->3)-beta-D-Gal-(1<->1')-N-acylsphingosine. chebi.json alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-N-acylsphingosine(2-)|alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-N-acylsphing-4-enine(2-)|alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-Cer(2-)|alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-ceramide(2-)|N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-N-acylsphing-4-enine|alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-N-acylsphing-4-enine(2-) http://purl.obolibrary.org/obo/CHEBI_90858 3_STAR CHEBI:90859 biolink:ChemicalSubstance alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-ceramide(2-) An anionic ganglioside obtasined by deprotonation of the carboxy groups of any alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-ceramide; major species at pH 7.3. chebi.json N-acetyl-alpha-neuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-ceramide|alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1<->1')-ceramide(2-) http://purl.obolibrary.org/obo/CHEBI_90859 3_STAR CHEBI:90854 biolink:ChemicalSubstance cobimetinib(1+) An organic cation obtained by protonation of the secondary amino group of cobimetinib. chebi.json cobimetinib cation|(2S)-2-{1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-3-hydroxyazetidin-3-yl}piperidin-1-ium http://purl.obolibrary.org/obo/CHEBI_90854 3_STAR CHEBI:65898 biolink:ChemicalSubstance flavaspidic acid PB A polyphenol that is a phloroglucinol derivative isolated from the rhizomes of Dryopteris crassirhizoma and has been shown to exhibit radical scavenging and antibacterial activity. PMID:19471878|PMID:12951487|Chemspider:23275363|Reaxys:2684769 chebi.json 2-(3-butyryl-2,4,6-trihydroxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethyl-6-propionylcyclohexa-2,5-dien-1-one http://purl.obolibrary.org/obo/CHEBI_65898 3_STAR CHEBI:90855 biolink:ChemicalSubstance Enstilar A mixture composed of calcipotriol (calcipotriene) hydrate, a synthetic vitamin D analogue, and betamethasone dipropionate, a corticosteroid. Enstilar is used as a foam for the topical treatment of plaque psoriasis in adult patients. PMID:25484388|PMID:26273150|PMID:25412565|PMID:25279474|PMID:25346093|PMID:23621170|PMID:26094549|PMID:26681900|CAS:485805-18-3|PMID:24533503|PMID:24684740|PMID:24980277|PMID:25607705|PMID:26659941|PMID:25566573|PMID:25355140|PMID:25307472|PMID:26444907|PMID:24684739 chebi.json betamethasone dipropionate/calcipotriol|calcipotriene mixture with betamethasone dipropionate|Betamethasone dipropionate-calcipotriene mixture|Betamethasone dipropionate and calcipotriene|betamethasone dipropionate-calcipotriol mixture|betamethasone dipropionate/calcipotriene|Betamethasone dipropionate mixture with calcipotriene|calcipotriene/betamethasone dipropionate|betamethasone dipropionate and calcipotriol|Calcipotriene and betamethasone dipropionate|calcipotriol-betamethasone dipropionate mixture|betamethasone dipropionate mixture with calcipotriol|calcipotriol mixture with betamethasone dipropionate|Calcipotriol/betamethasone dipropionate|calcipotriene-betamethasone dipropionate mixture|calcipotriol and betamethasone dipropionate http://purl.obolibrary.org/obo/CHEBI_90855 3_STAR CHEBI:65899 biolink:ChemicalSubstance flavokawain B A member of the class of chalcones that consists of trans-chalcone substituted by hydroxy group at positions 2' and methoxy groups at positions 4' and 6'. Isolated from Piper methysticum and Piper rusbyi, it exhibits antileishmanial, anti-inflammatory and antineoplastic activities. PMID:11830162|PMID:17354169|PMID:19537711|PMID:21543203|PMID:20112340|CAS:1175-97-9|HMDB:HMDB0033691|Patent:WO2005067950|Reaxys:2059845|PMID:22540374 chebi.json 4',6'-dimethoxy-2'-hydroxychalcone|(2E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one|2'-hydroxy-4',6'-dimethoxychalcone http://purl.obolibrary.org/obo/CHEBI_65899 3_STAR CHEBI:90856 biolink:ChemicalSubstance alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNac-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(2-) chebi.json GD1c ganglioside(2-)|ganglioside GD1c|alpha-N-acetylneuraminosyl-(2->8)-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-ceramide(2-) http://purl.obolibrary.org/obo/CHEBI_90856 2_STAR CHEBI:90857 biolink:ChemicalSubstance bacteriochlorophyllide g(2-) A cyclic tetrapyrrole anion that is obtained from bacteriochlorophyllide g via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). PMID:23386973|MetaCyc:CPD-18886 chebi.json bacteriochlorophyllide g|{3-[(3S,4S,13R,14Z)-9-ethenyl-14-ethylidene-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-13,14-dihydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(4-)}magnesate(2-) http://purl.obolibrary.org/obo/CHEBI_90857 3_STAR CHEBI:90850 biolink:ChemicalSubstance 13(S)-HODE(1-) A hydroxy fatty acid anion that is the conjugate base of 13(S)-HODE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. chebi.json (13S)-hydroxy-(9Z,11E)-octadecadienoate|(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoate|(13S)-hydroxy-(9Z,11E)-octadecadienoate http://purl.obolibrary.org/obo/CHEBI_90850 3_STAR CHEBI:90851 biolink:ChemicalSubstance cobimetinib A member of the class of N-acylazetidines obtained by selective formal condensation of the carboxy group of 3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoic acid with the secondary amino group from the azetidine ring of 3-[(2S)-piperidin-2-yl]azetidin-3-ol. An inhibitor of mitogen-activated protein kinase that is used (as its fumarate salt) in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. PMID:26365290|Reaxys:12883594|CAS:934660-93-2|Drug_Central:5046|PMID:26384788|PMID:26452567|PMID:26451002|PMID:25813936|PMID:25243894|PMID:25265494|Wikipedia:Cobimetinib|PDBeChem:EUI|CAS:934660-93-2|PMID:25142409|DrugBank:DB05239|KEGG:D10405|PMID:24589925|PMID:25444546|PMID:25037139 chebi.json Xl-518|cobimetinib|[3,4-difluoro-2-(2-fluoro-4-iodoanilino)phenyl]{3-hydroxy-3-[(2S)-piperidin-2-yl]azetidin-1-yl}methanone|XL518|RG 7420|GDC 0973|RG7420|GDC0973|Xl 518|GDC-0973 http://purl.obolibrary.org/obo/CHEBI_90851 3_STAR CHEBI:90852 biolink:ChemicalSubstance N-sulfonylcarboxamide A mixed diacylamine resulting from the formal condensation of the nitrogen of a carboxamide with a sulphonic acid. chebi.json N-acylsulfonamides|N-sulfonylcarboxamides|N-acylsulfonamide|N-carboacylsulfonamide|N-carboacylsulfonamides http://purl.obolibrary.org/obo/CHEBI_90852 3_STAR CHEBI:90853 biolink:ChemicalSubstance cobimetinib fumarate A fumarate salt prepared from cobimetinib by reaction of one molecule of fumaric acid for every two molecules of cobimetinib. An inhibitor of mitogen-activated protein kinase that is used in combination with vemurafenib for the treatment of patients with unresectable or metastatic melanoma. PMID:26681900|Wikipedia:Cobimetinib|DrugBank:DB05239|KEGG:D10615|CAS:1369665-02-0 chebi.json GDC-0973 hemifumarate|cobimetinib|bis[(2S)-2-{1-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzoyl]-3-hydroxyazetidin-3-yl}piperidin-1-ium] (2E)-but-2-enedioate|Xl-518 hemifumarate|Cobimetinib hemifumarate|COTELLIC http://purl.obolibrary.org/obo/CHEBI_90853 3_STAR CHEBI:145497 biolink:ChemicalSubstance N-acylethanolamine phosphate(2-) An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of any N-acylethanolamine. PMID:12069840 chebi.json NAEPA(2-)|2-acylaminoethyl phosphate|an N-acylethanolamine phosphate http://purl.obolibrary.org/obo/CHEBI_145497 3_STAR CHEBI:145498 biolink:ChemicalSubstance donepezil (1+) A piperidinium ion resulting from the protonation of amino group of donepezil. chebi.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. chebi.json 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxyindan-1-one http://purl.obolibrary.org/obo/CHEBI_145499 3_STAR CHEBI:145490 biolink:ChemicalSubstance alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide PMID:7295682 chebi.json a neolactoside VI(3)-alpha-Gal,IV(6)-beta-[Gal-alpha-(1->3)-Gal-beta-(1->4)-GlcNAc]-nLc6Cer|alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer http://purl.obolibrary.org/obo/CHEBI_145490 2_STAR CHEBI:145491 biolink:ChemicalSubstance alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:0) PMID:7295682 chebi.json a neolactoside VI(3)-alpha-Gal,IV(6)-beta-[Gal-alpha-(1->3)-Gal-beta-(1->4)-GlcNAc]-nLc6Cer(d18:0)|alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:0)|alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine http://purl.obolibrary.org/obo/CHEBI_145491 2_STAR CHEBI:145492 biolink:ChemicalSubstance alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(t18:0) chebi.json alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-4R-hydroxysphinganine|alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylphytosphingosine|a neolactoside VI(3)-alpha-Gal,IV(6)-beta-[Gal-alpha-(1->3)-Gal-beta-(1->4)-GlcNAc]-nLc6Cer(t18:0)|alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(t18:0) http://purl.obolibrary.org/obo/CHEBI_145492 2_STAR CHEBI:145493 biolink:ChemicalSubstance alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d20:1(4E)) chebi.json a neolactoside VI(3)-alpha-Gal,IV(6)-beta-[Gal-alpha-(1->3)-Gal-beta-(1->4)-GlcNAc]-nLc6Cer(d20:1(4E))|alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d20:1(4E))|alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-eicosasphing-4-enine|alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-icosasphingosine http://purl.obolibrary.org/obo/CHEBI_145493 2_STAR CHEBI:145494 biolink:ChemicalSubstance alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide PMID:2432062 chebi.json alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer|a neolactoside IV(3)-alpha-Gal,IV(2),III(3)-alpha-[Fuc]2-nLc4Cer http://purl.obolibrary.org/obo/CHEBI_145494 2_STAR CHEBI:145495 biolink:ChemicalSubstance alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:0) chebi.json a neolactoside IV(3)-alpha-Gal,IV(2),III(3)-alpha-[Fuc]2-nLc4Cer(d18:0)|alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:0)|alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')- N-acylsphinganine http://purl.obolibrary.org/obo/CHEBI_145495 2_STAR CHEBI:145496 biolink:ChemicalSubstance alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(t18:0) PMID:1390942 chebi.json alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-4R-hydroxysphinganine|alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylphytosphingosine|a neolactoside IV(3)-alpha-Gal,IV(2),III(3)-alpha-[Fuc]2-nLc4Cer(t18:0)|alpha-D-Gal-(1->3)-[alpha-L-Fuc-(1->2)]-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(t18:0) http://purl.obolibrary.org/obo/CHEBI_145496 2_STAR CHEBI:90847 biolink:ChemicalSubstance inverse agonist A substance that binds to the same receptor binding-site as an agonist for that receptor, but which exerts the opposite pharmacological effect. Wikipedia:Inverse_agonist chebi.json inverse agonists http://purl.obolibrary.org/obo/CHEBI_90847 3_STAR CHEBI:90848 biolink:ChemicalSubstance ACT-333679 A member of the class of pyrazines that is {4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetic acid carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. The active metabolite of selexipag, an orphan drug used for the treatment of pulmonary arterial hypertension. PMID:25552906|PMID:26291199|PMID:25850750|PMID:25277144|PMID:25851691|PMID:23872196|CAS:475085-57-5|PMID:24392948|PMID:26152132|Reaxys:11140228 chebi.json MRE 269|ACT 333679|ACT333679|MRE-269|{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}acetic acid|MRE269 http://purl.obolibrary.org/obo/CHEBI_90848 3_STAR CHEBI:90849 biolink:ChemicalSubstance geranylgeranyl bacteriochlorophyllide a(1-) A cyclic tetrapyrrole anion that is that carbide ion obtained from geranylgeranyl bacteriochlorophyllide a via removal of the acidic proton at position 21. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). PMID:11872709|MetaCyc:CPD-9088 chebi.json [methyl (3S,4S,13R,14R)-9-acetyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-3-(3-oxo-3-{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl)-13,14-dihydrophorbine-21-carboxylatato(3-)-kappa(4)N(23),N(24),N(25),N(26)]magnesate(1-)|geranylgeranyl-bacteriochlorophyllide a http://purl.obolibrary.org/obo/CHEBI_90849 3_STAR CHEBI:90843 biolink:ChemicalSubstance cangrelor(4-) An organophosphate oxoanion obtained by deprotonation of the phosphate and phosphonate OH groups of cangrelor. Reaxys:24729035 chebi.json cangrelor tetraanion|5'-O-[({[dichloro(phosphonato)methyl]phosphinato}oxy)phosphinato]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine|cangrelor tetra-anion http://purl.obolibrary.org/obo/CHEBI_90843 3_STAR CHEBI:90844 biolink:ChemicalSubstance selexipag A member of the class of pyrazines that is N-(methanesulfonyl)-2-{4-[(propan-2-yl)(pyrazin-2-yl)amino]butoxy}acetamide carrying two additional phenyl substituents at positions 5 and 6 on the pyrazine ring. An orphan drug used for the treatment of pulmonary arterial hypertension. It is a prodrug for ACT-333679 (the free carboxylic acid). CAS:475086-01-2|PMID:25552906|PMID:26291199|PMID:26567613|PMID:25850750|PMID:25277144|Reaxys:11140227|KEGG:D09994|PMID:25851691|PMID:24392948|CAS:475086-01-2|Drug_Central:5077|Wikipedia:Selexipag|PMID:26152132|PMID:26699168 chebi.json Uptravi|selexipag|NS 304|ACT 293987|NS-304|2-{4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}-N-(methanesulfonyl)acetamide|ACT-293987 http://purl.obolibrary.org/obo/CHEBI_90844 3_STAR CHEBI:90845 biolink:ChemicalSubstance prostacyclin receptor agonist An agonist that binds to and activates prostacyclin receptors Wikipedia:Prostacyclin_receptor chebi.json IP receptor agonists|prostacyclin receptor I2 agonists|prostacyclin receptor agonists|IP1 agonists|IP receptor agonist|IP1 agonist|prostacyclin receptor I2 agonist http://purl.obolibrary.org/obo/CHEBI_90845 3_STAR CHEBI:90846 biolink:ChemicalSubstance liver X receptor inverse agonist An inverse agonist that binds to the same receptor as a liver X receptor agonist, but which induces a pharmacological response opposite to that agonist. PMID:23665929|PMID:23237488|PMID:25830098 chebi.json LXR inverse agonist|LXR inverse agonists|liver X receptor inverse agonists http://purl.obolibrary.org/obo/CHEBI_90846 3_STAR CHEBI:90840 biolink:ChemicalSubstance O-(N-acetyl-beta-D-glucosaminyl)-L-threonine residue The L-alpha-amino acid residue formed from O-(N-acetyl-beta-D-glucosaminyl)-L-threonine. chebi.json O-(N-acetyl-beta-D-glucosaminyl)-L-threonine residue http://purl.obolibrary.org/obo/CHEBI_90840 3_STAR CHEBI:90841 biolink:ChemicalSubstance cangrelor A nucleoside triphosphate analogue that is 5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]adenosine carrying additional 2-(methylsulfanyl)ethyl and (3,3,3-trifluoropropyl)sulfanyl substituents at positions N6 and C2 respectively. Used (in the form of its tetrasodium salt) as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries. Drug_Central:5006|PMID:26381736|PMID:26400827|PMID:24080586|PMID:26283269|PMID:24393016|CAS:163706-06-7|PMID:24630878|PMID:26680584|Reaxys:8303713|PMID:24192670|PMID:24762247|PMID:25123696|PMID:26444255|PMID:26201463|PMID:25728646|PMID:24479981|PMID:25785060|Wikipedia:Cangrelor|PMID:24879371|PMID:25089928|PMID:25728292|CAS:163706-06-7|PMID:24057605|PMID:26024789|PMID:24656538|KEGG:D03359|PMID:24285121|PMID:25703887|PMID:26270719 chebi.json cangrelor|5'-O-[({[dichloro(phosphono)methyl](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]-N-[2-(methylsulfanyl)ethyl]-2-[(3,3,3-trifluoropropyl)sulfanyl]adenosine http://purl.obolibrary.org/obo/CHEBI_90841 3_STAR CHEBI:90842 biolink:ChemicalSubstance SR9243 A sulfonamide resulting from the formal condensation of the sulfonic acid group of mesitylene-2-sulphonic acid with the amino group of 2-(m-bromophenyl)ethylamine in which the nitrogen is substituted by a 4-[m-(methylsulfonyl)phenyl]benzyl group. Reaxys:26903919|PMID:26120082 chebi.json N-[2-(3-bromophenyl)ethyl]-2,4,6-trimethyl-N-{[3'-(methylsulfonyl)biphenyl-4-yl]methyl}benzenesulfonamide|SR 9243|SR-9243 http://purl.obolibrary.org/obo/CHEBI_90842 3_STAR CHEBI:145486 biolink:ChemicalSubstance 1-O-[4-O-(4-phenylbutyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-(4-phenylbutyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PMID:30556652 chebi.json N-{(2S,3S,4R)-1-[4-O-(4-phenylbutyl)-alpha-D-galactosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(4-phenylbutyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide|(2S,3S,4R)-1-[4-O-(4-phenylbutyl)-alpha-D-galactopyranosyloxy]-2-hexacosanoylaminooctadecane-3,4-diol http://purl.obolibrary.org/obo/CHEBI_145486 3_STAR CHEBI:99206 biolink:ChemicalSubstance 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide LINCS:LSM-10585 chebi.json http://purl.obolibrary.org/obo/CHEBI_99206 2_STAR CHEBI:145487 biolink:ChemicalSubstance 1-O-[4-O-(5-phenylpentyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-(5-phenylpentyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PMID:30556652 chebi.json N-{(2S,3S,4R)-1-[4-O-(5-phenylpentyl)-alpha-D-galactosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|(2S,3S,4R)-1-[4-O-(5-phenylpentyl)-alpha-D-galactopyranosyloxy]-2-hexacosanoylaminooctadecane-3,4-diol|N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(5-phenylpentyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide http://purl.obolibrary.org/obo/CHEBI_145487 3_STAR CHEBI:99207 biolink:ChemicalSubstance LSM-10586 LINCS:LSM-10586 chebi.json http://purl.obolibrary.org/obo/CHEBI_99207 2_STAR CHEBI:145488 biolink:ChemicalSubstance 1-O-[4-O-(6-phenylhexyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-(6-phenylhexyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PMID:30556652 chebi.json N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(6-phenylhexyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide|(2S,3S,4R)-1-[4-O-(6-phenylhexyl)-alpha-D-galactopyranosyloxy]-2-hexacosanoylaminooctadecane-3,4-diol|N-{(2S,3S,4R)-1-[4-O-(6-phenylhexyl)-alpha-D-galactosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide http://purl.obolibrary.org/obo/CHEBI_145488 3_STAR CHEBI:99208 biolink:ChemicalSubstance 3-(4-fluorophenyl)-1-[(2R)-1-hydroxypropan-2-yl]-1-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-[[4-(2-pyridinyl)phenyl]methyl]amino]butyl]urea LINCS:LSM-10587 chebi.json http://purl.obolibrary.org/obo/CHEBI_99208 2_STAR CHEBI:145489 biolink:ChemicalSubstance 1-O-{4-O-[3-(4-methylphenyl)propyl]-alpha-D-galactosyl}-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-[3-(4-methylphenyl)propyl]-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PMID:30556652 chebi.json (2S,3S,4R)-1-{4-O-[3-(4-methylphenyl)propyl]-alpha-D-galactopyranosyloxy}-2-hexacosanoylaminooctadecane-3,4-diol|N-[(2S,3S,4R)-3,4-dihydroxy-1-({4-O-[3-(4-methylphenyl)propyl]-alpha-D-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide|N-{(2S,3S,4R)-1-{4-O-[3-(4-methylphenyl)propyl]-alpha-D-galactosyloxy}-3,4-dihydroxyoctadecan-2-yl}hexacosanamide http://purl.obolibrary.org/obo/CHEBI_145489 3_STAR CHEBI:99209 biolink:ChemicalSubstance 4-fluoro-N-[(5S,6R,9R)-5-methoxy-3,6,8,9-tetramethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzenesulfonamide LINCS:LSM-10588 chebi.json http://purl.obolibrary.org/obo/CHEBI_99209 2_STAR CHEBI:145480 biolink:ChemicalSubstance metamifop A 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}-N-(2-fluorophenyl)-N-methylpropanamide that has R-configuration. It is an inhibitor of acetyl-coenzyme A carboxylase (ACCase) and a postemergence herbicide which exhibits high control efficacy against sensitive weeds, especially Echinochloa crus-galli in paddy fields. PMID:29427153|PMID:31561292|PMID:31378350|PPDB:1498|PMID:21067146|Reaxys:11210003|AGR:IND44574788|Pesticides:metamifop|CAS:256412-89-2|AGR:IND604786987|PMID:25194188|PMID:31470984|PMID:17567028|PMID:29874762|PMID:28265780|AGR:IND601311773|PMID:27666674 chebi.json (2R)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}-N-(2-fluorophenyl)-N-methylpropanamide|(2R)-2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide|SAH-001|K-12974|Pyzero|DBH-129|(R)-2-[4-(6-chloro-1,3-benzoxazol-2-yloxy)phenoxy]-2'-fluoro-N-methylpropionanilide|(R)-metamifop http://purl.obolibrary.org/obo/CHEBI_145480 3_STAR CHEBI:145481 biolink:ChemicalSubstance rac-metamifop A racemate comprising equimolar amounts of metamifop and (S)-metamifop. chebi.json (+-)-metamifop|(RS)-2-[4-[(6-chloro-2-benzoxazolyl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide|racemic metamifop|(RS)-metamifop|rac-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}-N-(2-fluorophenyl)-N-methylpropanamide http://purl.obolibrary.org/obo/CHEBI_145481 3_STAR CHEBI:145482 biolink:ChemicalSubstance 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}-N-(2-fluorophenyl)-N-methylpropanamide A member of the class of 1,3-benzoxazoles that is 6-chloro-1,3-benzoxazol-2-ol in which the hydrogen of the hydroxy group at position 2 is substituted by a 4-({1-[(2-fluorophenyl)(methyl)amino]-1-oxopropan-2-yl}oxy)phenyl group. chebi.json 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}-N-(2-fluorophenyl)-N-methylpropanamide http://purl.obolibrary.org/obo/CHEBI_145482 3_STAR CHEBI:145483 biolink:ChemicalSubstance (S)-metamifop A 2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}-N-(2-fluorophenyl)-N-methylpropanamide that has S-configuration. chebi.json (2S)-2-{4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy}-N-(2-fluorophenyl)-N-methylpropanamide http://purl.obolibrary.org/obo/CHEBI_145483 3_STAR CHEBI:145484 biolink:ChemicalSubstance 6-deoxy-alpha-L-Talp2Ac3Me-(1->3)-beta-D-Glcp-(1->3)-6-deoxy-alpha-L-Talp2Ac-(1->3)-beta-D-GlcpO[CH2]5NH2 A tetrasaccharide derivative consisting of a beta-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 a 2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-talosyl-(1->3)-beta-D-glucosyl-(1->3)-2-O-acetyl-6-deoxy-alpha-L-talosyl trisaccharide unit. PMID:31513223 chebi.json 5-aminopentyl 2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-talosyl-(1->3)-beta-D-glucosyl-(1->3)-2-O-acetyl-6-deoxy-alpha-L-talosyl-(1->3)-beta-D-glucoside|6-deoxy-alpha-L-Tal2Ac3Me-(1->3)-beta-D-Glc-(1->3)-6-deoxy-alpha-L-Tal2Ac-(1->3)-beta-D-GlcO[CH2]5NH2|5-aminopentyl 2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-talopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-2-O-acetyl-6-deoxy-alpha-L-talopyranosyl-(1->3)-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_145484 3_STAR CHEBI:145485 biolink:ChemicalSubstance 1-O-[4-O-(3-phenylpropyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-(3-phenylpropyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PMID:30556652 chebi.json (2S,3S,4R)-1-[4-O-(3-phenylpropyl)-alpha-D-galactopyranosyloxy]-2-hexacosanoylaminooctadecane-3,4-diol|N-{(2S,3S,4R)-1-[4-O-(3-phenylpropyl)-alpha-D-galactosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(3-phenylpropyl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide http://purl.obolibrary.org/obo/CHEBI_145485 3_STAR CHEBI:90876 biolink:ChemicalSubstance Lonsurf A mixture composed of trifluridine, a nucleoside metabolic inhibitor, and tipiracil hydrochloride, a thymidine phosphorylase inhibitor. Lonsurf is used for treatment of advanced/relapsed unresectable colorectal cancer. PMID:25596673|PMID:26489584|PMID:25750295|PMID:26616466|PMID:25812794|PMID:26609205|PMID:26370544|KEGG:D10526|PMID:26197742|PMID:26677869|PMID:26535019|PMID:26428513|PMID:26722024|PMID:26509228|PMID:25970050|PMID:26254349|PMID:25776904|PMID:25230742|PMID:26557901|PMID:26723516|PMID:26163340 chebi.json Lonsurf|Trifluridine - tipiracil hydrochloride mixt|TAS-102 http://purl.obolibrary.org/obo/CHEBI_90876 3_STAR CHEBI:90877 biolink:ChemicalSubstance tipiracil hydrochloride A hydrochloride obtained by combining tipiracil with one equivalent of hydrochloric acid. Used in combination with trifluridine, a nucleoside metabolic inhibitor, for treatment of advanced/relapsed unresectable colorectal cancer. PMID:25900515|Reaxys:9299131|CAS:183204-72-0|PMID:25750295|PMID:25812794|Wikipedia:Tipiracil|PMID:26370544|PMID:24562648|PMID:26197742|PMID:26677869|KEGG:D10467|PMID:26428513|PMID:26722024|PMID:26509228|CAS:183204-72-0|PMID:25970050|PMID:25901475|PMID:26084259|PMID:26254349|PMID:25230742|PMID:26557901|PMID:26723516|PMID:26163340 chebi.json 1-[(5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]pyrrolidin-2-iminium chloride|tipiracil monohydrochloride|5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dione hydrochloride|tipiracil.HCl http://purl.obolibrary.org/obo/CHEBI_90877 3_STAR CHEBI:90878 biolink:ChemicalSubstance EC 2.4.2.4 (thymidine phosphorylase) inhibitor An EC 2.4.2.* (pentosyltransferase) inhibitor that interferes with the action of thymidine phosphorylase (EC 2.4.2.4). Wikipedia:Thymidine_phosphorylase chebi.json EC 2.4.2.4 inhibitor|EC 2.4.2.4 inhibitors|pyrimidine deoxynucleoside phosphorylase inhibitors|thymidine-orthophosphate deoxyribosyltransferase inhibitors|EC 2.4.2.4 (thymidine phosphorylase) inhibitors|thymidine:phosphate deoxy-D-ribosyltransferase inhibitor|thymidine-orthophosphate deoxyribosyltransferase inhibitor|thymidine phosphorylase inhibitor|pyrimidine deoxynucleoside phosphorylase inhibitor|pyrimidine phosphorylase inhibitors|thymidine:phosphate deoxy-alpha-D-ribosyltransferase inhibitor|thymidine phosphorylase inhibitors|deoxythymidine phosphorylase inhibitor|thymidine:phosphate deoxy-D-ribosyltransferase inhibitors|deoxythymidine phosphorylase inhibitors|thymidine:phosphate deoxy-alpha-D-ribosyltransferase inhibitors|pyrimidine phosphorylase inhibitor http://purl.obolibrary.org/obo/CHEBI_90878 3_STAR CHEBI:90879 biolink:ChemicalSubstance tipiracil A member of the class of pyrimidones that is uracil substituted by chloro and (2-iminopyrrolidin-1-yl)methyl groups at positions 5 and 6 respectively. Used (as the hydrochloride salt) in combination with trifluridine, a nucleoside metabolic inhibitor, for treatment of advanced/relapsed unresectable colorectal cancer. CAS:183204-74-2|PMID:25900515|PMID:25750295|PMID:26616466|PMID:26609205|PMID:25812794|Wikipedia:Tipiracil|PMID:26730280|Drug_Central:4893|PMID:26370544|PMID:24562648|PMID:26197742|PMID:26677869|PMID:26535019|PMID:26428513|PMID:26722024|PMID:26509228|PMID:25970050|PMID:25901475|PMID:26084259|PMID:26254349|PMID:25230742|Reaxys:9272220|PMID:26723516|PMID:26163340 chebi.json 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]pyrimidine-2,4(1H,3H)-dione|tipiracil http://purl.obolibrary.org/obo/CHEBI_90879 3_STAR CHEBI:90872 biolink:ChemicalSubstance L-thyroxine residue An L-alpha-amino-acid residue derived from L-thyroxine. chebi.json L-thyroxine residue http://purl.obolibrary.org/obo/CHEBI_90872 3_STAR CHEBI:90873 biolink:ChemicalSubstance dehydroalanine residue An alpha-amino-acid residue derived from 2-aminoacrylic acid (dehydroalanine). chebi.json dehydroalanine residue http://purl.obolibrary.org/obo/CHEBI_90873 3_STAR CHEBI:99200 biolink:ChemicalSubstance LSM-10579 LINCS:LSM-10579 chebi.json http://purl.obolibrary.org/obo/CHEBI_99200 2_STAR CHEBI:90874 biolink:ChemicalSubstance 3,3',5-triiodo-L-thyronine residue An L-alpha-amino-acid residue derived from 3,3',5-triiodo-L-thyronine. chebi.json 3,3',5-triiodo-L-thyronine residue http://purl.obolibrary.org/obo/CHEBI_90874 3_STAR CHEBI:99201 biolink:ChemicalSubstance 3-chloro-N-[(2R,3R)-4-[(3-chlorophenyl)sulfonyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide LINCS:LSM-10580 chebi.json http://purl.obolibrary.org/obo/CHEBI_99201 2_STAR CHEBI:90875 biolink:ChemicalSubstance Synjardy A mixture composed of empagliflozin and metformin hydrochloride that is used for treatment of type II diabetes. PMID:26670554|KEGG:D10752|PMID:26535019 chebi.json Metformin/Empagliflozin|empagliflozin/metformin|Empagliflozin and metformin hydrochloride|Empagliflozin mixture with metformin hydrochloride|Empagliflozin - metformin mixt|metformin hydrochloride mixture with empagliflozin|Synjardy|Empagliflozin and metformin HCl|metformin hydrochloride and empagliflozin http://purl.obolibrary.org/obo/CHEBI_90875 3_STAR CHEBI:99202 biolink:ChemicalSubstance N-[(2R,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-[(4-phenylphenyl)methylamino]ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-5-methyl-3-isoxazolecarboxamide LINCS:LSM-10581 chebi.json http://purl.obolibrary.org/obo/CHEBI_99202 2_STAR CHEBI:99203 biolink:ChemicalSubstance N-[(1S,3R,4aR,9aS)-3-[2-(cyclopentylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide LINCS:LSM-10582 chebi.json http://purl.obolibrary.org/obo/CHEBI_99203 2_STAR CHEBI:90870 biolink:ChemicalSubstance 3-iodo-L-tyrosine residue An L-alpha-amino-acid residue derived from 3-iodo-L-tyrosine. chebi.json 3-iodo-L-tyrosine residue http://purl.obolibrary.org/obo/CHEBI_90870 3_STAR CHEBI:99204 biolink:ChemicalSubstance LSM-10583 LINCS:LSM-10583 chebi.json http://purl.obolibrary.org/obo/CHEBI_99204 2_STAR CHEBI:90871 biolink:ChemicalSubstance 3,5-diiodo-L-tyrosine residue An L-alpha-amino-acid residue derived from 3,5-diiodo-L-tyrosine. chebi.json 3,5-diiodo-L-tyrosine residue http://purl.obolibrary.org/obo/CHEBI_90871 3_STAR CHEBI:99205 biolink:ChemicalSubstance LSM-10584 LINCS:LSM-10584 chebi.json http://purl.obolibrary.org/obo/CHEBI_99205 2_STAR CHEBI:145475 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(t18:0)(1-) chebi.json a neolactoside III(6)-sulfo-nLc4Cer(t18:0)|beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-4R-hydroxysphinganine(1-)|beta-D-Gal-(1->4)-(SO3->6)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(t18:0)(1-)|beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylphytosphingosine(1-) http://purl.obolibrary.org/obo/CHEBI_145475 2_STAR CHEBI:145476 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d20:1(4E))(1-) chebi.json beta-D-Gal-(1->4)-(SO3->6)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d20:1(4E))(1-)|beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-eicosasphing-4-enine(1-)|a neolactoside III(6)-sulfo-nLc4Cer(d20:1(4E))|beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-icosasphingosine(1-) http://purl.obolibrary.org/obo/CHEBI_145476 2_STAR CHEBI:145477 biolink:ChemicalSubstance halauxifen A pyridinemonocarboxylic acid that is 4-amino-3-chloropyridine-2-carboxylic acid which is substituted by a 4-chloro-2-fluoro-3-methoxyphenyl group at position 6. It is a herbicide used for the control of broad-leaved weeds in cereals and oilseed rape. CAS:943832-60-8|Pesticides:halauxifen|PMID:29265374|PMID:27492223|Reaxys:11450600|PPDB:2630 chebi.json halauxifen (free acid)|XR-729 acid|4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)pyridine-2-carboxylic acid|XDE 729 acid|4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-2-pyridinecarboxylic acid|4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)picolinic acid http://purl.obolibrary.org/obo/CHEBI_145477 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. PMID:28130448|MetaCyc:CPD-13516|PMID:15136574 chebi.json beta-D-GlcN-(1->4)-GlcNAc(1+)|beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine|2-ammonio-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose|2-acetamido-4-O-(2-ammonio-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_145478 3_STAR CHEBI:145479 biolink:ChemicalSubstance 6-deoxy-alpha-L-Talp2,4Ac23Me-(1->3)-beta-D-Glcp-(1->3)-6-deoxy-alpha-L-Talp2Ac-(1->3)-beta-D-GlcpO[CH2]5NH2 A tetrasaccharide derivative consisting of a beta-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 a 2,4-di-O-acetyl-6-deoxy-3-O-methyl-alpha-L-talosyl-(1->3)-beta-D-glucosyl-(1->3)-2-O-acetyl-6-deoxy-alpha-L-talosyl trisaccharide unit. PMID:31513223 chebi.json 5-aminopentyl 2,4-di-O-acetyl-6-deoxy-3-O-methyl-alpha-L-talopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->3)-2-O-acetyl-6-deoxy-alpha-L-talopyranosyl-(1->3)-beta-D-glucopyranoside|6-deoxy-alpha-L-Tal2,4Ac23Me-(1->3)-beta-D-Glc-(1->3)-6-deoxy-alpha-L-Tal2Ac-(1->3)-beta-D-GlcO[CH2]5NH2|5-aminopentyl 2,4-di-O-acetyl-6-deoxy-3-O-methyl-alpha-L-talosyl-(1->3)-beta-D-glucosyl-(1->3)-2-O-acetyl-6-deoxy-alpha-L-talosyl-(1->3)-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_145479 3_STAR CHEBI:145470 biolink:ChemicalSubstance sophoroside Any glycoside of sophorose (2-O-beta-D-glucopyranosyl-D-glucopyranose). chebi.json sophorosides http://purl.obolibrary.org/obo/CHEBI_145470 3_STAR CHEBI:145471 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_145471 CHEBI:145472 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(1-) PMID:649586 chebi.json a neolactoside III(6)-sulfo-nLc4Cer|beta-D-Gal-(1->4)-(SO3->6)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(1-) http://purl.obolibrary.org/obo/CHEBI_145472 2_STAR CHEBI:145473 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:1(4E))(1-) PMID:649586 chebi.json a neolactoside III(6)-sulfo-nLc4Cer(d18:1(4E))|beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine(1-)|beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-sphing-4-enine(1-)|beta-D-Gal-(1->4)-(SO3->6)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1(4E))(1-) http://purl.obolibrary.org/obo/CHEBI_145473 2_STAR CHEBI:145474 biolink:ChemicalSubstance beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:0)(1-) PMID:649586 chebi.json beta-D-Gal-(1->4)-(SO3->6)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:0)(1-)|beta-D-galactosyl-(1->4)-(6-sulfo)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphinganine(1-)|a neolactoside III(6)-sulfo-nLc4Cer(d18:0) http://purl.obolibrary.org/obo/CHEBI_145474 2_STAR CHEBI:90869 biolink:ChemicalSubstance validamycin A(1+) An ammonium ion resulting from the protonation of the amino group of validamycin A. The major species at pH 7.3. PMID:20952185|PMID:25102722|PMID:23340099|PMID:18943474|PMID:22521597|PMID:25236210|PMID:9242988|PMID:22036231|PMID:9813313|MetaCyc:VALIDAMYCIN-A|PMID:6548220|PMID:23295203|PMID:25060680|PMID:22481376|PMID:5549382|PMID:3269390|PMID:3570986 chebi.json validamycin A|(1S,4R,5S,6S)-N-[(1S,2S,3R,4R,5R)-4-(beta-D-glucopyranosyloxy)-2,3-dihydroxy-5-(hydroxymethyl)cyclohexyl]-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-aminium http://purl.obolibrary.org/obo/CHEBI_90869 3_STAR CHEBI:90865 biolink:ChemicalSubstance flibanserin An N-alkylpiperazine that is 1-[2-(1,3-dihydro-2-oxobenzimidazol-1-yl)ethyl]piperazine in which the remaining amino proton is replaced by a 3-(trifluoromethyl)phenyl group. A multifunctional serotonin agonist and antagonist which is used for the treatment of pre-menopausal women with hypoactive sexual desire disorder. CAS:167933-07-5|PMID:26382159|PMID:24281236|Wikipedia:Flibanserin|PMID:24531007|PMID:26165387|PMID:26635207|KEGG:D02577|PMID:26395164|PMID:26496594|PMID:26692273|Reaxys:8942243|PMID:26529137|PMID:25659981|PMID:26519340|PMID:25187905|CAS:167933-07-5|Drug_Central:5022|PMID:26375434|PMID:26455357|PMID:26124287|PMID:26412054|PMID:26535020 chebi.json 1,3-Dihydro-1-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-2H-benzimidazol-2-one|BIMT 17 BS|Bimt 17|1-(2-(4-alpha,alpha,alpha-Trifluoro-m-tolyl)-1-(piperazinyl)ethyl)-2-benzimidazolinone|1-(2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-1,3-dihydro-2H-benzimidazol-2-one|Female Viagra (Street Name)|Bimt-17|Addyi|flibanserin http://purl.obolibrary.org/obo/CHEBI_90865 3_STAR CHEBI:90866 biolink:ChemicalSubstance 14-HDoHE(1-) A polyunsaturated hydroxy-fatty acid anion that is the conjugate base of 14-HDoHE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:25586183 chebi.json (4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoate|(4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosahexaenoate|14-hydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate http://purl.obolibrary.org/obo/CHEBI_90866 3_STAR CHEBI:90867 biolink:ChemicalSubstance 14-oxo-DoHE(1-) A polyunsaturated hydroxy-fatty acid anion that is the conjugate base of 14-oxo-DoHE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:25586183 chebi.json (4Z,7Z,10Z,12E,16Z,19Z)-14-oxodocosa-4,7,10,12,16,19-hexaenoate|14-oxo-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate http://purl.obolibrary.org/obo/CHEBI_90867 3_STAR CHEBI:90868 biolink:ChemicalSubstance validamycin B A member of the class of validamycins that is validamycin A in which the pro-R hydrogen at the unsubstituted position of the cycloxexane ring has been replaced by a hydroxy group. CAS:102583-47-1|HMDB:HMDB0036593|PMID:22961651|MetaCyc:CPD-18790|Reaxys:5187663|PMID:5549382 chebi.json T-7545-B|validamycin B|(1R,2R,3S,4S,5R,6S)-2,3,5-trihydroxy-6-(hydroxymethyl)-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}cyclohexyl beta-D-glucopyranoside|Val-B|Antibiotic T-7545-B http://purl.obolibrary.org/obo/CHEBI_90868 3_STAR CHEBI:90861 biolink:ChemicalSubstance calcipotriol hydrate A hydrate that is the monohydrate form of calcipotriol. It is used in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients. DrugBank:DB02300|KEGG:D10198|PMID:24169587|Patent:US7507865|Patent:US2008167505|Reaxys:13602551|CAS:147657-22-5|Patent:ES2272198|Patent:WO9415912|Patent:EP0679154|Patent:US5763426 chebi.json calcipotriene hydrate|Calcipotriol monohydrate|calcipotriene monohydrate|(1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate http://purl.obolibrary.org/obo/CHEBI_90861 3_STAR CHEBI:90862 biolink:ChemicalSubstance 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(4-) A ganglioside GQ1(4-) obtained by deprotonation of the neuraminosyl carboxy groups of any 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; major species at pH 7.3. chebi.json GQ1b ganglioside(4-)|ganglioside GQ1b|alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(4-) http://purl.obolibrary.org/obo/CHEBI_90862 3_STAR CHEBI:90863 biolink:ChemicalSubstance sonidegib A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma. PMID:26546616|PMID:23482671|PMID:25216523|PMID:23935925|Reaxys:19431762|LINCS:LSM-4938|PMID:26516158|Drug_Central:5008|CAS:956697-53-3|KEGG:D10119|PMID:25981810|PMID:25473003|PMID:24523439|PMID:26483188|PMID:25093491|PMID:26106586|Wikipedia:Sonidegib|PMID:24817600 chebi.json LDE-225|NVP-LDE225|LDE225|N-[6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide|NVP-LDE 225|sonidegib|Erismodegib|LDE 225|rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide http://purl.obolibrary.org/obo/CHEBI_90863 3_STAR CHEBI:90864 biolink:ChemicalSubstance sonidegib phosphate A phosphate salt obtained by reaction sonidegib with two equivalent of phosphoric acid. Used for treatment of locally advanced basal cell carcinoma. CAS:1218778-77-8|PMID:26323341|Reaxys:27699342|CAS:1218778-77-8|KEGG:D10729|PMCID:PMC4571841|Wikipedia:Sonidegib chebi.json sonidegib phosphate|sonidegib diphosphate|Odomzo|rel-N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide bis(phosphate)|sonidegib bisphosphate http://purl.obolibrary.org/obo/CHEBI_90864 3_STAR CHEBI:90860 biolink:ChemicalSubstance 4-hydroxy-L-proline residue An L-alpha-amino-acid residue derived from 4-hydroxy-L-proline. chebi.json 4-hydroxy-L-proline residue http://purl.obolibrary.org/obo/CHEBI_90860 3_STAR CHEBI:99228 biolink:ChemicalSubstance (3R,6aR,8S,10aR)-N-(4-chlorophenyl)-8-[2-(cyclohexylmethylamino)-2-oxoethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide LINCS:LSM-10607 chebi.json http://purl.obolibrary.org/obo/CHEBI_99228 2_STAR CHEBI:145464 biolink:ChemicalSubstance 2'-deoxy-5-(hydroxymethyl)cytidine 5'-diphosphate(3-) A 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the three diphosphate OH groups of 2'-deoxy-5-(hydroxymethyl)cytidine 5'-diphosphate ; major species at pH 7.3. chebi.json 5-hydroxymethyl-dCDP http://purl.obolibrary.org/obo/CHEBI_145464 2_STAR CHEBI:145465 biolink:ChemicalSubstance N-oleoylethanolamine phosphate(2-) PMID:9607309|PMID:9224815 chebi.json N-(9Z-octadecenoyl)-ethanolamine phosphate|NOEPA(2-)|N-(9Z-octadecenoyl)-phosphoethanolamine(2-) http://purl.obolibrary.org/obo/CHEBI_145465 2_STAR CHEBI:99229 biolink:ChemicalSubstance 2-[(2R,4aR,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide LINCS:LSM-10608 chebi.json http://purl.obolibrary.org/obo/CHEBI_99229 2_STAR CHEBI:145466 biolink:ChemicalSubstance ddTTP(4-) A 2',3'-dideoxyribonucleoside triphosphate oxoanion obtained from 2',3'-dideoxythymidine triphosphate by deprotonation of three of the four free triphosphate OH groups; major species at pH 7.3. chebi.json 2',3'-dideoxythymidine 5'-triphosphate(4-)|ddTTP http://purl.obolibrary.org/obo/CHEBI_145466 2_STAR CHEBI:145467 biolink:ChemicalSubstance ddTDP(3-) A 2',3'-dideoxyribonucleoside diphosphate oxoanion obtained from 2',3'-dideoxythymidine diphosphate by deprotonation of the diphosphate OH groups; major species at pH 7.3. chebi.json ddTDP|2',3'-dideoxythymidine 5'-diphosphate(3-) http://purl.obolibrary.org/obo/CHEBI_145467 2_STAR CHEBI:145468 biolink:ChemicalSubstance ddTMP(2-) A 2',3'-dideoxyribonucleoside monophosphate oxoanion obtained from 2',3'-dideoxythymidine phosphate by deprotonation of the phosphate OH groups; major species at pH 7.3 chebi.json ddTMP|2',3'-dideoxythymidine 5'-phosphate(2-) http://purl.obolibrary.org/obo/CHEBI_145468 2_STAR CHEBI:145469 biolink:ChemicalSubstance (9Z)-17-hydroxyoctadec-9-enoic acid 17-O-sophoroside A sophoroside resulting from the formal condensation of the alcoholic hydroxy group of 17-hydroxyoleic acid with beta-sophorose. PMID:26298016|PMID:21073653 chebi.json 17-hydroxyoleic acid 17-O-sophoroside|17-hydroxyoleic acid 17-O-beta-D-glucosyl-(1->2)-beta-D-glucoside|17-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]octadec-9-enoic acid|(9Z)-17-hydroxyoctadec-9-enoic acid 17-O-beta-D-glucosyl-(1->2)-beta-D-glucoside http://purl.obolibrary.org/obo/CHEBI_145469 3_STAR CHEBI:145460 biolink:ChemicalSubstance alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc A glucosamine oligosaccharide comprising N-acetyl-alpha-neuraminosyl, beta-D-galactosyl, 2-acetamido-2-deoxy-beta-D-glucosyl, beta-D-galactosyl, 2-acetamido-2-deoxy-3-O-(alpha-L-fucosyl)-beta-D-glucosyl, beta-D-galactosyl, and 2-acetamido-2-deoxy-D-glucose joined together in sequence by (2->3), (1->4), (1->3), (1->4), (1->3) and (1->4) glycosidic linkages, respectively. PMID:9473504|GlyTouCan:G08664LZ|KEGG:G04537 chebi.json NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-3)Gal(b1-4)GlcNAc|N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-[alpha-L-Fuc-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine|5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose|NeuAc(alpha2-3)Gal(beta1-4)GlcNAc(beta1-3)Gal(beta1-4)[Fuc(alpha1-3)]GlcNAc(beta1-3)Gal(beta1-4)GlcNAc http://purl.obolibrary.org/obo/CHEBI_145460 3_STAR CHEBI:145461 biolink:ChemicalSubstance 1-O-[4-O-(cyclopropylmethyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-(cyclopropylmethyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PDBeChem:JTD|PMID:30556652 chebi.json N-[(2S,3S,4R)-1-{[4-O-(cyclopropylmethyl)-alpha-D-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|N-[(2S,3S,4R)-1-{[4-O-(cyclopropylmethyl)-alpha-D-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|(2S,3S,4R)-1-[4-O-(cyclopropylmethyl)-alpha-D-galactopyranosyloxy]-2-hexacosanoylaminooctadecane-3,4-diol|N-{(2S,3S,4R)-1-[4-O-(cyclopropylmethyl)-alpha-D-galactosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide http://purl.obolibrary.org/obo/CHEBI_145461 3_STAR CHEBI:145462 biolink:ChemicalSubstance 1-O-(4-O-allyl-alpha-D-galactosyl)-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-allyl-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PDBeChem:JTG|PMID:30556652 chebi.json N-[(2S,3S,4R)-1-(4-O-allyl-alpha-D-galactosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(prop-2-en-1-yl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide|N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-(prop-2-en-1-yl)-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide|(2S,3S,4R)-1-(4-O-allyl-alpha-D-galactopyranosyloxy)-2-hexacosanoylaminooctadecane-3,4-diol|N-{(2S,3S,4R)-1-[(4-O-allyl-alpha-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide http://purl.obolibrary.org/obo/CHEBI_145462 3_STAR CHEBI:145463 biolink:ChemicalSubstance 1-O-[4-O-(4-chlorobenzyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-(4-chlorobenzyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PMID:30556652|PDBeChem:JTM chebi.json N-[(2S,3S,4R)-1-({4-O-[(4-chlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|N-[(2S,3S,4R)-1-({4-O-[(4-chlorophenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|N-{(2S,3S,4R)-1-[4-O-(4-chlorobenzyl)-alpha-D-galactosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|N-{(2S,3S,4R)-1-[4-O-(4-chlorobenzyl)-alpha-D-galactopyranosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|(2S,3S,4R)-1-[4-O-(4-chlorobenzyl)-alpha-D-galactopyranosyloxy]-2-hexacosanoylaminooctadecane-3,4-diol http://purl.obolibrary.org/obo/CHEBI_145463 3_STAR CHEBI:90898 biolink:ChemicalSubstance protoviolaceinate A monocarboxylic acid anion that is the conjugate base of protoviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3. PMID:21779844|MetaCyc:CPD-14319|PMID:17925955 chebi.json 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylate|protoviolaceinate http://purl.obolibrary.org/obo/CHEBI_90898 3_STAR CHEBI:90899 biolink:ChemicalSubstance violaceinic acid A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 3-hydroxyindol-3-yl group at at position 5 by a 5-hydroxyindol-3-yl group. MetaCyc:CPD-14324|PMID:21779844|PMID:17925955 chebi.json 3-(2-hydroxy-1H-indol-3-yl)-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_90899 3_STAR CHEBI:90894 biolink:ChemicalSubstance (-)-5'-desmethylyatein A butan-4-olide that is (-)-bursehernin bearing an additional hydroxy substituent at position 5 (adjacent to the two methoxy groups). Reaxys:4886287|MetaCyc:CPD-18755|PMID:26359402 chebi.json (-)-3-desmethylyatein|(R,4R)-4-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]oxolan-2-one|(-)-5'-demethylyatein|3-demethylyatein http://purl.obolibrary.org/obo/CHEBI_90894 3_STAR CHEBI:99220 biolink:ChemicalSubstance N-[(4S,7S,8R)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-phenylacetamide LINCS:LSM-10599 chebi.json http://purl.obolibrary.org/obo/CHEBI_99220 2_STAR CHEBI:99221 biolink:ChemicalSubstance 2-[(2S,4aR,12aS)-8-[(2-chlorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]acetic acid methyl ester LINCS:LSM-10600 chebi.json http://purl.obolibrary.org/obo/CHEBI_99221 2_STAR CHEBI:90895 biolink:ChemicalSubstance irinotecan(1+) An organic cation obtained by protonation of the tertiary amino group of irinotecan. chebi.json 1-[1-({[(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy}carbonyl)piperidin-4-yl]piperidin-1-ium|irinotecan cation http://purl.obolibrary.org/obo/CHEBI_90895 3_STAR CHEBI:90896 biolink:ChemicalSubstance (-)-pluviatolide A butan-4-olide that is dihydrofuran-2(3H)-one which is substituted by a vanillyl group at position 3 and by a 3,4-methylenedioxybenzyl group at position 4 (the R,R stereoisomer). PMID:25769897|PMID:18570470|KNApSAcK:C00007201|MetaCyc:CPD-17597|PMID:7964800|Reaxys:1401095|CAS:28115-68-6|PMID:609051|PMID:23161544|PMID:26359402 chebi.json (-)-pluviatolide|(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one|pluviatolide http://purl.obolibrary.org/obo/CHEBI_90896 3_STAR CHEBI:99222 biolink:ChemicalSubstance (2R,3R,4R)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[oxo(3-pyridinyl)methyl]-2-azetidinecarbonitrile LINCS:LSM-10601 chebi.json http://purl.obolibrary.org/obo/CHEBI_99222 2_STAR CHEBI:90897 biolink:ChemicalSubstance protoviolaceinic acid A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 by a 1H-indol-3-yl group at at position 5 by a 5-hydroxy-1H-indol-3-yl group. Reaxys:11281439|MetaCyc:CPD-14319|PMID:17925955|PMID:21779844 chebi.json 5-(5-hydroxy-1H-indol-3-yl)-3-(1H-indol-3-yl)-1H-pyrrole-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_90897 3_STAR CHEBI:99223 biolink:ChemicalSubstance LSM-10602 LINCS:LSM-10602 chebi.json http://purl.obolibrary.org/obo/CHEBI_99223 2_STAR CHEBI:90890 biolink:ChemicalSubstance 3-farnesyl-3-hydroxy-2-methyl-1-oxo-1lambda(5)-quinolin-4-one A member of the class of quinoline N-oxides that is 3-hydroxy-2-methyl-1-oxo-1lambda(5)-quinolin-4-one carrying an additional (2E,6E)-farnesyl group at position 3. PMID:22907798|MetaCyc:CPD-18762 chebi.json 4-hydroxy-2-methyl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-3(4H)-one 1-oxide|3-hydroxy-2-methyl-1-oxo-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1lambda(5)-quinolin-4(3H)-one|[(2E,6E)-farnesyl]-3-hydroxy-2-methyl-1-oxo-1lambda(5)-quinolin-4-one|2-hydroxy-1a-methyl-7a-[(2E,6E)-farnesyl]-1a,2-dihydrooxireno[2,3-b]quinolin-7(7aH)-one http://purl.obolibrary.org/obo/CHEBI_90890 3_STAR CHEBI:99224 biolink:ChemicalSubstance (2R,3S,4R)-1-(5-ethyl-2-thiazolyl)-4-(hydroxymethyl)-3-[4-(3-methylbut-1-ynyl)phenyl]-2-azetidinecarbonitrile LINCS:LSM-10603 chebi.json http://purl.obolibrary.org/obo/CHEBI_99224 2_STAR CHEBI:90891 biolink:ChemicalSubstance 2-imino-3-(indol-3-yl)propanoic acid A dehydroamino acid that is tryptophan in which the amino group has been oxidised to the corresponding imine. PMID:21779844|MetaCyc:CPD-11890|Reaxys:4427187 chebi.json 2-imino-3-(1H-indol-3-yl)propanoic acid http://purl.obolibrary.org/obo/CHEBI_90891 3_STAR CHEBI:99225 biolink:ChemicalSubstance N-[(1R,3S,4aR,9aS)-3-[2-(dimethylamino)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-cyclopropylacetamide LINCS:LSM-10604 chebi.json http://purl.obolibrary.org/obo/CHEBI_99225 2_STAR CHEBI:99226 biolink:ChemicalSubstance LSM-10605 LINCS:LSM-10605 chebi.json http://purl.obolibrary.org/obo/CHEBI_99226 2_STAR CHEBI:90892 biolink:ChemicalSubstance 2-imino-3-(indol-3-yl)propanoate A monocarboxylic acid anion that is the conjugate base of 2-imino-3-(indol-3-yl)propanoic acid, obtained by deprotonation of the carboxy group. PMID:21779844|MetaCyc:CPD-11890 chebi.json IPAimine|2-imino-3-(1H-indol-3-yl)propanoate http://purl.obolibrary.org/obo/CHEBI_90892 3_STAR CHEBI:90893 biolink:ChemicalSubstance (-)-bursehernin A butan-4-olide that is (-)-pluviatolide in which the phenolic hydroxy group has been converted to the corresponding methyl ether. PMID:24242108|PMID:18680297|Reaxys:3596448|PMID:19329133|MetaCyc:CPD-17599|CBA:464313|PMID:7843329|PMID:14987061|KNApSAcK:C00036847|PMID:10230514|PMID:26130043|CAS:40456-51-7|PMID:26359402 chebi.json (-)-bursehernin|(R,R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one|bursehernin|(3R-trans)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]dihydro-2(3H)-furanone|(3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxybenzyl)dihydrofuran-2(3H)-one|(-)-5'-desmethoxy-yatein http://purl.obolibrary.org/obo/CHEBI_90893 3_STAR CHEBI:99227 biolink:ChemicalSubstance 2-[(1S,3S,4aS,9aR)-6-(benzenesulfonamido)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide LINCS:LSM-10606 chebi.json http://purl.obolibrary.org/obo/CHEBI_99227 2_STAR CHEBI:99217 biolink:ChemicalSubstance 3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide LINCS:LSM-10596 chebi.json http://purl.obolibrary.org/obo/CHEBI_99217 2_STAR CHEBI:145454 biolink:ChemicalSubstance alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc A glucosamine oligosaccharide comprising N-acetyl-alpha-neuraminosyl, beta-D-galactosyl, 2-acetamido-2-deoxy-3-O-(alpha-L-fucosyl)-beta-D-glucosyl, beta-D-galactosyl, 2-acetamido-2-deoxy-3-O-(alpha-L-fucosyl)-beta-D-glucosyl, beta-D-galactosyl, and 2-acetamido-2-deoxy-D-glucose joined together in sequence by (2->3), (1->4), (1->3), (1->4), (1->3) and (1->4) glycosidic linkages, respectively. KEGG:G04407|GlyTouCan:G92147QP|GlyGen:G92147QP|PMID:9473504 chebi.json WURCS=2.0/5,9,8/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-3-4-2-5/a4-b1_b3-c1_c3-d1_c4-e1_e3-f1_f3-g1_f4-h1_h3-i2|NeuAc(alpha2-3)Gal(beta1-4)[Fuc(alpha1-3)]GlcNAc(beta1-3)Gal(beta1-4)[Fuc(alpha1-3)]GlcNAc(beta1-3)Gal(beta1-4)GlcNAc|5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_145454 3_STAR CHEBI:99218 biolink:ChemicalSubstance 2-fluoro-N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-propyl-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide LINCS:LSM-10597 chebi.json http://purl.obolibrary.org/obo/CHEBI_99218 2_STAR CHEBI:145455 biolink:ChemicalSubstance (1R,3aS,5bS,9R,11aR,13aS)-9-hydroxy-5b,8,8,11a-tetramethyl-1-(prop-1-en-2-yl)icosahydro-3aH-cyclopenta[a]chrysene-3a-carboxylic acid Chemspider:5140671 chebi.json http://purl.obolibrary.org/obo/CHEBI_145455 2_STAR CHEBI:99219 biolink:ChemicalSubstance N-[(3-fluorophenyl)methyl]-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[2-(4-morpholinyl)-1-oxoethyl]amino]-2-oxanyl]acetamide LINCS:LSM-10598 chebi.json http://purl.obolibrary.org/obo/CHEBI_99219 2_STAR CHEBI:145456 biolink:ChemicalSubstance 1-O-{4-O-[4-(trifluoromethyl)benzyl]-alpha-D-galactosyl}-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-[4-(trifluoromethyl)benzyl]-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PMID:30556652|PDBeChem:JUD chebi.json (2S,3S,4R)-1-{4-O-[4-(trifluoromethyl)benzyl]-alpha-D-galactopyranosyloxy}-2-hexacosanoylaminooctadecane-3,4-diol|N-{(2S,3S,4R)-3,4-dihydroxy-1-[(4-O-{[4-(trifluoromethyl)phenyl]methyl}-alpha-D-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide|N-{(2S,3S,4R)-3,4-dihydroxy-1-[(4-O-{[4-(trifluoromethyl)phenyl]methyl}-alpha-D-galactopyranosyl)oxy]octadecan-2-yl}hexacosanamide|N-[(2S,3S,4R)-3,4-dihydroxy-1-({4-O-[4-(trifluoromethyl)benzyl]-alpha-D-galactopyranosyl}oxy)octadecan-2-yl]hexacosanamide|N-((2S,3S,4R)-1-{4-O-[4-(trifluoromethyl)benzyl]-alpha-D-galactosyloxy}-3,4-dihydroxyoctadecan-2-yl)hexacosanamide http://purl.obolibrary.org/obo/CHEBI_145456 3_STAR CHEBI:145457 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_145457 CHEBI:145458 biolink:ChemicalSubstance N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine hydrochloride (1:1) Chemspider:56589 chebi.json http://purl.obolibrary.org/obo/CHEBI_145458 2_STAR CHEBI:145459 biolink:ChemicalSubstance 1-O-[4-O-(4-tert-butylbenzyl)-alpha-D-galactosyl]-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-(4-tert-butylbenzyl)-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. PDBeChem:JU1|PMID:30556652 chebi.json N-[(2S,3S,4R)-1-({4-O-[(4-tert-butylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|N-[(2S,3S,4R)-1-({4-O-[(4-tert-butylphenyl)methyl]-alpha-D-galactopyranosyl}oxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|N-[(2S,3S,4R)-1-{[4-O-(4-tert-butylbenzyl)-alpha-D-galactopyranosyl]oxy}-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|N-{(2S,3S,4R)-1-[4-O-(4-tert-butylbenzyl)-alpha-D-galactosyloxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|(2S,3S,4R)-1-[4-O-(4-tert-butylbenzyl)-alpha-D-galactopyranosyloxy]-2-hexacosanoylaminooctadecane-3,4-diol http://purl.obolibrary.org/obo/CHEBI_145459 3_STAR CHEBI:90887 biolink:ChemicalSubstance 2-hydroxy-6-oxo-2,4-heptadienoate A 6-oxo monocarboxylic acid anion that is the conjugate base of 2-hydroxy-6-oxo-2,4-heptadienoic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3. Reaxys:23974989|PMID:238971|PMID:16347440|MetaCyc:CPD-8782 chebi.json 2-hydroxy-6-ketohepta-2,4-dienoate|2-hydroxy-6-keto-2,4-heptadienoate|2-hydroxy-6-oxohepta-2,4-dienoate|2-hydroxy-6-oxo-2,4-heptadienoate http://purl.obolibrary.org/obo/CHEBI_90887 3_STAR CHEBI:90888 biolink:ChemicalSubstance aurachin C A C-type aurachin that is quinolin-4-one which is substituted by a hydroxy group at positions 1, a methyl group at position 2, and a triprenyl group at position 3. PMID:3106289|PMID:18989924|PMID:7827023|Reaxys:19334109|PMID:23103448|CAS:108354-14-9|MetaCyc:CPD-7733|PMID:25209961|PMID:25130733|KNApSAcK:C00017847|PMID:9880809|PMID:8119908|PMID:22907798 chebi.json aurachin-C|aurachin C|1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1H)-one http://purl.obolibrary.org/obo/CHEBI_90888 3_STAR CHEBI:90889 biolink:ChemicalSubstance aurachin C epoxide An epoxide resulting from the oxidation of the double bond at the 2-3 position of aurachin C. MetaCyc:CPD-15913|PMID:21979787|PMID:22907798 chebi.json aurachin C 2,3-epoxide|aurachin-C 2,3-epoxide|2-hydroxy-1a-methyl-7a-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1a,7a-dihydrooxireno[b]quinolin-7(2H)-one|aurachin C epoxide|aurachin-C epoxide http://purl.obolibrary.org/obo/CHEBI_90889 3_STAR CHEBI:90883 biolink:ChemicalSubstance 2,3-dichloromuconate(2-) A dichloromuconate(2-) obtained by deprotonation of the carboxy groups of 2,3-dichloromuconic acid; major species at pH 7.3. PMID:16030237 chebi.json 2,3-dichloromuconate|2,3-dichlorohexa-2,4-dienedioate http://purl.obolibrary.org/obo/CHEBI_90883 3_STAR CHEBI:90884 biolink:ChemicalSubstance 2'-hydroxyrifampicin(1-) An organic cation obtained that is the conjugate base of 2'-hydroxyrifampicin. is the major structure at pH 7.3 (according to Marvin v 6.2.0.). MetaCyc:CPD-18728|PMID:19942945|PMID:8980786 chebi.json (2S,8E,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-5,17,19-trihydroxy-8-{[hydroxy(4-methylpiperazin-1-yl)amino]methylidene}-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,9,11-trioxo-1,2,8,9-tetrahydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-6-olate|2'-N-hydroxyrifampicin http://purl.obolibrary.org/obo/CHEBI_90884 3_STAR CHEBI:99210 biolink:ChemicalSubstance N-(cyclohexylmethyl)-2-[(2S,3S,6R)-3-[[(3-fluoroanilino)-oxomethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide LINCS:LSM-10589 chebi.json http://purl.obolibrary.org/obo/CHEBI_99210 2_STAR CHEBI:90885 biolink:ChemicalSubstance 1,3,7-trimethyl-5-hydroxyisouric acid A member of the class of oxopurines that is 5-hydroxyisouric acid carrying three additional methyl substituents at positions 1, 3 and 7. Reaxys:8262001|MetaCyc:CPD-16697|PMID:22609920 chebi.json 1,3,7-trimethyl-5-hydroxyisourate|5-hydroxy-1,3,7-trimethyl-5,7-dihydro-1H-purine-2,6,8(3H)-trione http://purl.obolibrary.org/obo/CHEBI_90885 3_STAR CHEBI:99211 biolink:ChemicalSubstance 2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[[oxo(propylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-phenylethyl)acetamide LINCS:LSM-10590 chebi.json http://purl.obolibrary.org/obo/CHEBI_99211 2_STAR CHEBI:99212 biolink:ChemicalSubstance N-[(5S,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-8-[(5-phenyl-3-isoxazolyl)methyl]-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide LINCS:LSM-10591 chebi.json http://purl.obolibrary.org/obo/CHEBI_99212 2_STAR CHEBI:90886 biolink:ChemicalSubstance 2-hydroxy-6-oxo-2,4-heptadienoic acid An alpha,beta-unsaturated monocarboxylic acid that is 2,4-heptadienoic acid substituted by hydroxy and oxo groups at positions 2 and 6 respectively. PMID:238971|CAS:7244-95-3|Reaxys:9386549|PMID:16347440|KEGG:C06210|MetaCyc:CPD-8782 chebi.json 2-hydroxy-6-oxohepta-2,4-dienoic acid|2-hydroxy-6-keto-2,4 heptadienoic acid http://purl.obolibrary.org/obo/CHEBI_90886 3_STAR CHEBI:99213 biolink:ChemicalSubstance LSM-10592 LINCS:LSM-10592 chebi.json http://purl.obolibrary.org/obo/CHEBI_99213 2_STAR CHEBI:90880 biolink:ChemicalSubstance tipiracil(1+) A carboxamidinium ion obtained by protonation of the amidine function of tipiracil. chebi.json 1-[(5-chloro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]pyrrolidin-2-iminium|tipiracil cation http://purl.obolibrary.org/obo/CHEBI_90880 3_STAR CHEBI:99214 biolink:ChemicalSubstance 2-[(2S,4aR,12aS)-5-methyl-6-oxo-8-[(1-oxo-2-phenylethyl)amino]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-methoxyethyl)acetamide LINCS:LSM-10593 chebi.json http://purl.obolibrary.org/obo/CHEBI_99214 2_STAR CHEBI:90881 biolink:ChemicalSubstance irinotecan hydrochloride hydrate A hydrate that is the trihydrate form of irinotecan hydrochloride. Onivyde is used in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. PMID:26352218|PMID:25233635|PMID:24585045|PMID:24424522|PMID:26531131|PMID:25750295|PMID:26540095|KEGG:D01061|PMID:26526067|PMID:26656185|CAS:136572-09-3|PMID:26309154|Wikipedia:Irinotecan|Reaxys:4838283|DrugBank:DB00762|PMID:24190390|PMID:26706406|PMID:23984532|PMID:25248893|CAS:136572-09-3 chebi.json Irinotecan hydrochloride|1-[1-({[(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl]oxy}carbonyl)piperidin-4-yl]piperidin-1-ium chloride--water (1/3)|U-101,440E|ONIVYDE|CPT 11|(4S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate hydrochloride--water (1/3)|CPT-11|irinotecan monohydrochloride trihydrate|irinotecan hydrochloride trihydrate|Camptosar http://purl.obolibrary.org/obo/CHEBI_90881 3_STAR CHEBI:99215 biolink:ChemicalSubstance N-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(1-piperidinyl)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-2-(dimethylamino)acetamide LINCS:LSM-10594 chebi.json http://purl.obolibrary.org/obo/CHEBI_99215 2_STAR CHEBI:90882 biolink:ChemicalSubstance 3,4-dichlorocatechol A dichlorocatechol that is catechol in which the hydrogens at positions 3 and 4 are replaced by chlorines. PMID:16030237|PMID:25178722|PMID:16348405|PMID:15487783|CAS:3978-67-4|PMID:1987135|Reaxys:2089512|PMID:24196130|PMID:3281582|PMID:2013566 chebi.json 3,4-dichlorobenzene-1,2-diol|3,4-dichlorocatechol|DCBZ http://purl.obolibrary.org/obo/CHEBI_90882 3_STAR CHEBI:99216 biolink:ChemicalSubstance (2S,3R,4R)-3-[4-(1-cyclohexenyl)phenyl]-1-[(3-fluorophenyl)-oxomethyl]-4-(hydroxymethyl)-2-azetidinecarbonitrile LINCS:LSM-10595 chebi.json http://purl.obolibrary.org/obo/CHEBI_99216 2_STAR CHEBI:65803 biolink:ChemicalSubstance dorsilurin F A 7-hydroxyflavonol substituted by additional hydroxy groups at positions 5 and 3' and prenyl groups at positions 6, 8 and 4'. Isolated from the roots of Dorstenia psilurus, it exhibits alpha-glucosidase inhibitory activity. PMID:19061390|Reaxys:19384763 chebi.json 3,5,7-trihydroxy-2-[3-hydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one|6,8,4'-triprenyl-5,7,3'-trihydroxyflavonol http://purl.obolibrary.org/obo/CHEBI_65803 3_STAR CHEBI:65804 biolink:ChemicalSubstance dorsilurin G A 7-hydroxyflavonol substituted by additional hydroxy groups at positions 5 and 3', prenyl groups at positions 6 and 8 and a (2S)-2-hydroxy-3-methylbut-3-en-1-yl group at position 4'. Isolated from the roots of Dorstenia psilurus, it exhibits alpha-glucosidase inhibitory activity. PMID:19061390|Reaxys:19384768 chebi.json 3,5,7-trihydroxy-2-{3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]phenyl}-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one|6,8-diprenyl-4'-(2S-hydroxy-3-methylbut-3-enyl)-5,7,3'-trihydroxyflavonol http://purl.obolibrary.org/obo/CHEBI_65804 3_STAR CHEBI:65805 biolink:ChemicalSubstance dorsilurin H An extended flavonoid that is 7-hydroxyflavonol with an additional hydroxy group at position 3', a 2,2-dimethyldihydropyrano ring fused to ring A across positions 5 and 6, a prenyl group at position 8 and a (2S)-2-hydroxy-3-methylbut-3-en-1-yl group at position 4'. Isolated from the roots of Dorstenia psilurus, it exhibits alpha-glucosidase inhibitory activity. Reaxys:19384767|PMID:19061390 chebi.json 5,6-(2,2-dimethyldihydropyrano)-7,3'-dihydroxy-8-prenyl-4'-(2S-hydroxy-3-methylbut-3-enyl)flavonol|5,9-dihydroxy-8-{3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]phenyl}-2,2-dimethyl-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,10H-pyrano[2,3-f]chromen-10-one http://purl.obolibrary.org/obo/CHEBI_65805 3_STAR CHEBI:65806 biolink:ChemicalSubstance dorsilurin I An extended flavonoid that is flavonol with additional hydroxy groups at position 5 and 3', a 2,2-dimethyldihydropyrano ring fused to ring A across positions 7 and 8, a prenyl group at position 6 and a (2S)-2-hydroxy-3-methylbut-3-en-1-yl group at position 4'. Isolated from the roots of Dorstenia psilurus, it exhibits alpha-glucosidase inhibitory activity. PMID:19061390|Reaxys:19384766 chebi.json 7,8-(2,2-dimethyldihydropyrano)-5,3'-dihydroxy-6-prenyl-4'-(2S-hydroxy-3-methylbut-3-enyl)flavonol|3,5-dihydroxy-2-{3-hydroxy-4-[(2S)-2-hydroxy-3-methylbut-3-en-1-yl]phenyl}-8,8-dimethyl-6-(3-methylbut-2-en-1-yl)-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65806 3_STAR CHEBI:65800 biolink:ChemicalSubstance 5-hydroxy-7-prop-2-en-(E)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one An organic heterobicyclic compound that is 7,7a-dihydrocyclopenta[b]pyran-6(2H)-one substituted by a hydroxy group at position 5 and a prop-2-en-1-ylidene group at position 7 (the E isomer). Isolated from the sponge Ulosa and ascidian Diplosoma virens, it exhibits antimicrobial activity and toxicity against HCT116 cells (human colorectal cancer cells) by triggering apoptotic cell death. Reaxys:15800346|PMID:18463568 chebi.json Diplosoma ylidene 1|(7E)-5-hydroxy-7-(prop-2-en-1-ylidene)-7,7a-dihydrocyclopenta[b]pyran-6(2H)-one http://purl.obolibrary.org/obo/CHEBI_65800 3_STAR CHEBI:65801 biolink:ChemicalSubstance 5-hydroxy-7-prop-2-en-(Z)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one An organic heterobicyclic compound that is 7,7a-dihydrocyclopenta[b]pyran-6(2H)-one substituted by a hydroxy group at position 5 and a prop-2-en-1-ylidene group at position 7 (the Z isomer). Isolated from the sponge Ulosa and ascidian Diplosoma virens, it exhibits antimicrobial activity and toxicity against HCT116 cells (human colorectal cancer cells) by triggering apoptotic cell death. Reaxys:15800347|PMID:18463568 chebi.json (7Z)-5-hydroxy-7-(prop-2-en-1-ylidene)-7,7a-dihydrocyclopenta[b]pyran-6(2H)-one|Diplosoma ylidene 2 http://purl.obolibrary.org/obo/CHEBI_65801 3_STAR CHEBI:65802 biolink:ChemicalSubstance diuvaretin A member of the class of dihydrochalcones that is dihydrochalcone substituted by 2-hydroxybenzyl groups at positions 3 and 5, hydroxy groups at positions 2 and 4 and a methoxy group at position 6. Isolated from the roots of Uvaria acuminata and Uvaria chamae, it exhibits cytotoxicity towards human promyelocytic leukemia HL-60 cells. Reaxys:2029684|PMID:14709883|PMID:1775574|PMID:12168763|PMID:845713|LIPID_MAPS_instance:LMPK12120472|PMID:15635168 chebi.json 1-[2,4-dihydroxy-3,5-bis(2-hydroxybenzyl)-6-methoxyphenyl]-3-phenylpropan-1-one http://purl.obolibrary.org/obo/CHEBI_65802 3_STAR CHEBI:65807 biolink:ChemicalSubstance dorsilurin J An extended flavonoid that is 7-hydroxyflavonol with an additional hydroxy group at position 3', a 2,2-dimethyldihydropyrano ring fused to ring A across positions 5 and 6, and prenyl groups at positions 8 and 4'. Isolated from the roots of Dorstenia psilurus, it exhibits alpha-glucosidase inhibitory activity. PMID:19061390|Reaxys:19384764 chebi.json 5,9-dihydroxy-8-[3-hydroxy-4-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-6-(3-methylbut-2-enyl)-3,4-dihydropyrano[2,3-f]chromen-10-one|5,6-(2,2-dimethyldihydropyrano)-7,3'-dihydroxy-8,4'-diprenylflavonol http://purl.obolibrary.org/obo/CHEBI_65807 3_STAR CHEBI:65808 biolink:ChemicalSubstance dorsilurin K An extended flavonoid that is flavonol with an additional hydroxy group at position 3', two 2,2-dimethyldihydropyrano rings fused to ring A across positions 5, 6 and 7, 8 respectively and a prenyl group at position 4'. Isolated from the roots of Dorstenia psilurus, it exhibits alpha-glucosidase inhibitory activity. PMID:19061390|Reaxys:19384762 chebi.json 11-hydroxy-10-[3-hydroxy-4-(3-methylbut-2-en-1-yl)phenyl]-2,2,6,6-tetramethyl-3,4,7,8-tetrahydro-2H,6H,12H-dipyrano[2,3-f:2',3'-h]chromen-12-one|5,6-7,8-bis(2,2-dimethyldihydropyrano)-3'-hydroxy-4'-prenyl-flavonol http://purl.obolibrary.org/obo/CHEBI_65808 3_STAR CHEBI:65809 biolink:ChemicalSubstance drummondin D A chromenol that is a derivative of filicinic acid and is isolated from the stems and leaves of Hypericum drummondii. It has been found to exhibit antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and the acid fast bacterium Mycobacterium smegmatis. PMID:1800634|CAS:138169-52-5 chebi.json 2-acetyl-6-[(8-acetyl-5,7-dihydroxy-2,2-dimethyl-2H-chromen-6-yl)methyl]-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one|(+)-drummondin D http://purl.obolibrary.org/obo/CHEBI_65809 3_STAR CHEBI:65814 biolink:ChemicalSubstance durhamycin A An aureolic acid that consists of tetrasaccharide and disaccharide moieties attached to the tricyclic aglycone. Isolated from Actinoplanes durhamensis, it exhibits anti-HIV activity. PMID:12762675|PMID:12193009|Reaxys:9250588 chebi.json 1-C-[(2R*,3R*)-6-(butan-2-yl)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-4-O-acetyl-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-5-deoxy-1-O-methylpent-2-ulose http://purl.obolibrary.org/obo/CHEBI_65814 3_STAR CHEBI:65815 biolink:ChemicalSubstance durhamycin B An aureolic acid that consists of trisaccharide and disaccharide moieties attached to the tricyclic aglycone. Isolated from Actinoplanes durhamensis, it exhibits anti-HIV activity. PMID:12762675|Reaxys:9250229|PMID:12193009 chebi.json 1-C-[(2R*,3R*)-6-(butan-2-yl)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-4-O-acetyl-2,6-dideoxy-beta-D-lyxo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-5-deoxy-1-O-methylpent-2-ulose http://purl.obolibrary.org/obo/CHEBI_65815 3_STAR CHEBI:65816 biolink:ChemicalSubstance dysidine A sesquiterpenoid isolated from the sponge Dysidea sp. that is 5-amino-2-hydroxy-3-methyl-1,4-benzoquinone in which one of the hydrogens of the methyl group is replaced by a 1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl group and one of the hydrogens attached to the nitrogen is replaced by a 2-sulfoethyl group. Dysidine selectively inhibits human synovial phospholipase A2 (EC 3.1.1.4) with an IC50 = 2.0 muM. PMID:11374954|Reaxys:8810146|PMID:19091557|PMID:19262557 chebi.json 2-[(4-hydroxy-3,6-dioxo-5-{[(1R,2R,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl]methyl}cyclohexa-1,4-dien-1-yl)amino]ethanesulfonic acid http://purl.obolibrary.org/obo/CHEBI_65816 3_STAR CHEBI:65817 biolink:ChemicalSubstance dysoxyhainanin A A pentacyclic triterpenoid with a rearranged oleanane skeleton isolated from the whole plants of Dysoxylum hainanense. It exhibits antibacterial activity against Gram-positive bacteria. PMID:18771268|Reaxys:19175393 chebi.json (1Z,3aR,5aR,5bS,7aS,10R,11aR,13aS,13bR)-1-[(formylamino)methylidene]-3,3,5a,5b,7a,10,13b-heptamethyl-2-oxo-2,3,3a,4,5,5a,5b,6,7,7a,8,9,10,11,11a,13,13a,13b-octadecahydro-1H-cyclopenta[a]chrysene-10-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_65817 3_STAR CHEBI:65810 biolink:ChemicalSubstance drummondin E A member of the class of resorcinols that is a derivative of filicinic acid. Isolated from the stems and leaves of Hypericum drummondii, it exhibits antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and the acid fast bacterium Mycobacterium smegmatis. PMID:1800634|CAS:138169-54-7 chebi.json 2-acetyl-6-{3-acetyl-2,4-dihydroxy-6-[(3-methylbut-2-en-1-yl)oxy]benzyl}-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one|(+)-drummondin E http://purl.obolibrary.org/obo/CHEBI_65810 3_STAR CHEBI:65811 biolink:ChemicalSubstance drummondin F A benzenetriol that is a derivative of filicinic acid. Isolated from the stems and leaves of Hypericum drummondii, it exhibits antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and the acid fast bacterium Mycobacterium smegmatis. PMID:1800634|CAS:122127-73-5 chebi.json 2-acetyl-6-[3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-en-1-yl)benzyl]-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one|(+)-drummondin F http://purl.obolibrary.org/obo/CHEBI_65811 3_STAR CHEBI:65812 biolink:ChemicalSubstance isodrummondin D A chromenol that is a derivative of filicinic acid and is isolated from the stems and leaves of Hypericum drummondii. It has been found to exhibit antibacterial activity against Gram-positive bacteria Staphylococcus aureus and Bacillus subtilis and the acid fast bacterium Mycobacterium smegmatis. PMID:1800634|CAS:138169-53-6 chebi.json (+)-isodrummondin D|2-acetyl-6-[(6-acetyl-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl)methyl]-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one http://purl.obolibrary.org/obo/CHEBI_65812 3_STAR CHEBI:65813 biolink:ChemicalSubstance drymaritin An indole alkaloid that is canthin-6-one substituted by a methoxy group at position 4. Isolated from the whole plants of Drymaria diandra, it exhibits anti-HIV activity. PMID:19848436|Reaxys:10007683|PMID:15270576 chebi.json 4-methoxy-6H-indolo[3,2,1-de][1,5]naphthyridin-6-one|4-methoxycanthin-6-one http://purl.obolibrary.org/obo/CHEBI_65813 3_STAR CHEBI:65818 biolink:ChemicalSubstance dzununcanone A tetracyclic triterpenoid that is 3,24-dinor-2,4-seco-friedelan-1(10),5,7-triene substituted by methoxycarbonyl groups at positions 2 and 29 and an oxo group at position 4. Isolated from the root bark of Hippocratea excelsa, it exhibits anti-protozoal activity against Giardia intestinalis. PMID:17385912|Reaxys:11223004 chebi.json 3,24-dinor-2,4-seco-4-oxo-friedelan-1(10),5,7-triene-2,29-dioic acid dimethylester|methyl (3R,4aR,4bS,6aR,7Z,10bS,12aS)-8-acetyl-7-(2-methoxy-2-oxoethylidene)-3,4b,6a,10b,12a-pentamethyl-1,2,3,4,4a,4b,5,6,6a,7,10b,11,12,12a-tetradecahydrochrysene-3-carboxylate http://purl.obolibrary.org/obo/CHEBI_65818 3_STAR CHEBI:65819 biolink:ChemicalSubstance eckol A phlorotannin that is oxanthrene-1,3,6,8-tetrol substituted by a 3,5-dihydroxyphenoxy moiety at position 4. Isolated from the marine brown alga, Ecklonia cava, it exhibits antioxidant activity. CAS:88798-74-7|PMID:19201199|PMID:19931411|PMID:21514314|Wikipedia:Eckol|PMID:17886227|PMID:22687478|Reaxys:3635964 chebi.json 4-(3,5-dihydroxyphenoxy)dibenzo-p-dioxin-1,3,6,8-tetrol|4-(3,5-dihydroxyphenoxy)-dibenzo(b,e)(1,4)dioxin-1,3,6,8-tetrol|4-(3,5-dihydroxyphenoxy)oxanthrene-1,3,6,8-tetrol|1-(3,5-dihydroxyphenoxy)-2,4,7,9-tetrahydroxydibenzo-1,4-dioxin http://purl.obolibrary.org/obo/CHEBI_65819 3_STAR CHEBI:65820 biolink:ChemicalSubstance eckstolonol A phlorotannin that is [1,4]benzodioxino[2,3-a]oxanthrene substituted by hydroxy groups at positions 1, 3, 6, 9 and 11. Isolated from the brown alga Ecklonia stolonifera, it exhibits radical scavenging activity. Reaxys:6544127|Chemspider:8604642|PMID:12913249 chebi.json dioxinodehydroeckol|5,8,13,14-tetraoxa-pentaphene-1,3,6,9,11-pentol|[1,4]benzodioxino[2,3-a]oxanthrene-1,3,6,9,11-pentol http://purl.obolibrary.org/obo/CHEBI_65820 3_STAR CHEBI:65825 biolink:ChemicalSubstance elaeodendroside B A steroid lactone isolated from Elaeodendron tangenala and Elaeodendron glaucum and exhibits antiproliferative activity against A2780 human ovarian cancer cells. PMID:17547460|Reaxys:3599480 chebi.json 4-[(1R,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-1-yl]furan-2(5H)-one http://purl.obolibrary.org/obo/CHEBI_65825 3_STAR CHEBI:65826 biolink:ChemicalSubstance elaeodendroside F A steroid lactone isolated from Elaeodendron tangenala and Elaeodendron glaucum and exhibits antiproliferative activity against A2780 human ovarian cancer cells. Chemspider:23284660|PMID:17547460|Reaxys:6580942 chebi.json (1R,2S,3aS,3bR,6aR,7aS,11S,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-2-yl acetate http://purl.obolibrary.org/obo/CHEBI_65826 3_STAR CHEBI:65827 biolink:ChemicalSubstance elaeodendroside G A steroid lactone isolated from Elaeodendron tangenala and Elaeodendron glaucum and exhibits antiproliferative activity against A2780 human ovarian cancer cells. Reaxys:6580941|PMID:17547460|Chemspider:23284661 chebi.json (1R,2S,3aS,3bR,6aR,7aS,11R,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-13a,15a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-2-yl acetate http://purl.obolibrary.org/obo/CHEBI_65827 3_STAR CHEBI:65828 biolink:ChemicalSubstance elaeodendroside T A steroid lactone isolated from Elaeodendron tangenala and exhibits antiproliferative activity against A2780 human ovarian cancer cells. PMID:17547460|Chemspider:20567917|Reaxys:11195447 chebi.json (1R,2S,3aS,3bR,6aR,7aS,9R,11R,11aS,12aR,13aR,13bS,15aR)-3a,11a-dihydroxy-11-methoxy-9,13a,15a-trimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-2,3,3a,3b,4,5,6a,9,10,11,11a,12a,13,13a,13b,14,15,15a-octadecahydro-1H,7aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxin-2-yl acetate http://purl.obolibrary.org/obo/CHEBI_65828 3_STAR CHEBI:65821 biolink:ChemicalSubstance ehretianone An organic heterotetracyclic compound that is 9,9a-dihydro-9,4a-prop[1]enoxanthene-1,4-dione substituted by a hydroxy group at position 7, a methyl group at position 12 and a prenyl group at position 9a. Isolated from the root barks of Ehretia buxifolia, it exhibits antisnake venom activity. PMID:8759162|CAS:176050-43-4 chebi.json 7-hydroxy-9aalpha-(3-methylbut-2-enyl)-4aalpha,9alpha-(2-methylprop-2-enyl)-4a,9a-dihydro-1,4-dioxoxanthene|(4aS,9S,9aR)-7-hydroxy-12-methyl-9a-(3-methylbut-2-en-1-yl)-9,9a-dihydro-9,4a-prop[1]enoxanthene-1,4-dione http://purl.obolibrary.org/obo/CHEBI_65821 3_STAR CHEBI:65822 biolink:ChemicalSubstance EI-1511-3 A polyene antibiotic isolated from the fermentation broth of Streptomyces sp.E-1625 that exhibits inhibitory activity towards the recombinant human interleukin-1beta converting enzyme (ICE). It also shows weak antibacterial activity against strains like Enterococcus faecium, Staphylococcus aureus and Bacillus subtilis. Reaxys:7630280|PMID:8982334 chebi.json (2E,4E)-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]-7-methylocta-2,4-dienamide http://purl.obolibrary.org/obo/CHEBI_65822 3_STAR CHEBI:65823 biolink:ChemicalSubstance EI-1511-5 An epoxide isolated from Streptomyces sp. E-1511. An inhibitor of interleukin-1beta converting enzyme (ICE), it acts as an anti-inflammatory agent and an antibiotic. PMID:8982334|Reaxys:7630198 chebi.json (2E,4E,6E)-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]-8-methyldeca-2,4,6-trienamide http://purl.obolibrary.org/obo/CHEBI_65823 3_STAR CHEBI:65824 biolink:ChemicalSubstance EI-1625-2 An epoxide isolated from Streptomyces sp. E-1625. An inhibitor of interleukin-1beta converting enzyme (ICE), it acts as an anti-inflammatory agent and antibiotic. Reaxys:7630442|PMID:8982334 chebi.json (2E)-N-[(1S,5R,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]-4-methyloct-2-enamide http://purl.obolibrary.org/obo/CHEBI_65824 3_STAR CHEBI:65829 biolink:ChemicalSubstance elaeodendroside U A cardenolide glycoside that is carda-4,20(22)-dienolide substituted by hydroxy groups at positions 2 and 14, an oxo group at position 12 and a (4-deoxy-3-O-methyl-alpha-L-erythro-pentopyranosyl)oxy moiety at position 3 (the 2alpha,3beta stereoisomer). Isolated from from wood of Elaeodendron tangenala, it exhibits antiproliferative activity against A2780 human ovarian cancer cells. Chemspider:20567916|Reaxys:11195448|PMID:17547460 chebi.json (2alpha,3beta)-3-[(4-deoxy-3-O-methyl-alpha-L-erythro-pentopyranosyl)oxy]-2,14-dihydroxy-12-oxocarda-4,20(22)-dienolide|4-[(2R,3R,8R,9S,10R,13R,14S,17R)-2,14-dihydroxy-3-{[(2S,3S,4S)-3-hydroxy-4-methoxytetrahydro-2H-pyran-2-yl]oxy}-10,13-dimethyl-12-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]furan-2(5H)-one http://purl.obolibrary.org/obo/CHEBI_65829 3_STAR CHEBI:65830 biolink:ChemicalSubstance elaeodendroside V A cardenolide glycoside that is sarmentologenin glycosylated at position 3 by a beta-allosyl-(1->4)-beta-6-deoxyallosyl moiety. Isolated from Elaeodendron alluaudianum, it exhibits antiproliferative activity against human ovarian cancer and human histiocytic lymphoma cell lines. Reaxys:19417815|PMID:19058971 chebi.json (3beta,5beta,11alpha)-3-{[4-O-(beta-D-allopyranosyl)-6-deoxy-beta-D-allopyranosyl]oxy}-5,11,14,19-tetrahydroxycard-20(22)-enolide|sarmentologenin-3beta-O-[beta-allosyl-(1->4)-beta-6-deoxyalloside] http://purl.obolibrary.org/obo/CHEBI_65830 3_STAR CHEBI:65831 biolink:ChemicalSubstance elaeodendroside W A cardenolide glycoside that is 3,5,11,14-tetrahydroxy-19-oxocard-20(22)-enolide glycosylated at position 3 by a beta-allosyl-(1->4)-beta-6-deoxyallosyl group. Isolated from Elaeodendron alluaudianum, it exhibits antiproliferative activity against human ovarian cancer and human histiocytic lymphoma cell lines. Reaxys:19417814|PMID:19058971 chebi.json (3beta,5beta,11alpha)-3-{[4-O-(beta-D-allopyranosyl)-6-deoxy-beta-D-allopyranosyl]oxy}-5,11,14-trihydroxy-19-oxocard-20(22)-enolide|sarmentosigenin-3beta-O-[beta-allosyl-(1->4)-beta-6-deoxyalloside] http://purl.obolibrary.org/obo/CHEBI_65831 3_STAR CHEBI:65836 biolink:ChemicalSubstance 2beta-methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate A germacranolide isolated from Elephantopus mollis and has been shown to exhibit antineoplastic activity. Reaxys:9875949|PMID:18239317 chebi.json (3aR,4S,6E,8S,11S,11aS)-8-methoxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,11,11a-octahydro-8,11-epoxycyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoate http://purl.obolibrary.org/obo/CHEBI_65836 3_STAR CHEBI:65837 biolink:ChemicalSubstance elongatol A A sesquiterpenoid that is 1,2,3a,4,5,7,8,9,9a,9b-decahydronaphtho[2,1-b]furan substituted by methyl groups at positions 1, 9 and 9a and hydroxy groups at positions 2 and 7. Isolated from methylene chloride solubles of the Formosan soft coral Nephthea elongata, it exhibits cytotoxicity against selected cancer cells. Reaxys:11101571|Chemspider:17626878|PMID:17473464 chebi.json (1S,2S,3aS,7S,9S,9aS,9bR)-1,9,9a-trimethyl-1,2,3a,4,5,7,8,9,9a,9b-decahydronaphtho[2,1-b]furan-2,7-diol|lemnal-1(10)-ene-2alpha,12alpha-diol http://purl.obolibrary.org/obo/CHEBI_65837 3_STAR CHEBI:65838 biolink:ChemicalSubstance elongatol E A sesquiterpenoid that is 1,2,3a,4,5,5a,8,9,9a,9b-decahydronaphtho[2,1-b]furan substituted by methyl groups at positions 1, 9 and 9a and hydroxy groups at positions 2 and 5a. Isolated from methylene chloride solubles of the Formosan soft coral Nephthea elongata, it exhibits cytotoxicity against selected cancer cells. Reaxys:11101575|Chemspider:17626997|PMID:17473464 chebi.json lemnal-1(2)-en-10alpha,12beta-diol|(1S,2S,3aS,5aS,9S,9aS,9bR)-1,9,9a-trimethyl-1,2,4,5,8,9,9a,9b-octahydronaphtho[2,1-b]furan-2,5a(3aH)-diol http://purl.obolibrary.org/obo/CHEBI_65838 3_STAR CHEBI:65839 biolink:ChemicalSubstance emarginatine B A sesquiterpene alkaloid that is a macrolide incorporating a substituted dihydroagarofuran and a pyrindine ring. Isolated from Maytenus emarginata, it exhibits cytotoxicity against human KB cells. Reaxys:6681172|PMID:2380715|CAS:128718-53-6 chebi.json (8beta)-8-(acetyloxy)-9-O-benzoyl-2-O-9-O-dideacetyl-8-deoxo-2-O-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbony]levonine http://purl.obolibrary.org/obo/CHEBI_65839 3_STAR CHEBI:65832 biolink:ChemicalSubstance (4betaH)-5alpha-hydroxy-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(10),11(13)-guaiadien-12,6alpha-olide A guaiane sesquiterpenoid isolated from Elephantopus mollis and has been shown to exhibit cytotoxic activity. Reaxys:18556305|PMID:18239317 chebi.json (3aR,4S,9R,9aR,9bS)-9a-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-4-yl (2E)-2-methylbut-2-enoate http://purl.obolibrary.org/obo/CHEBI_65832 3_STAR CHEBI:65833 biolink:ChemicalSubstance (4betaH)-8alpha-(2-methylbut-2-enoyloxy)-2-oxo-1(5),10(14),11(13)-guaiatrien-12,6alpha-olide A guaiane sesquiterpenoid isolated from Elephantopus mollis and has been shown to exhibit cytotoxic activity. PMID:18239317|Reaxys:18556304 chebi.json (3aR,4S,9R,9bS)-9-methyl-3,6-dimethylidene-2,7-dioxo-2,3,3a,4,5,6,7,8,9,9b-decahydroazuleno[4,5-b]furan-4-yl (2E)-2-methylbut-2-enoate http://purl.obolibrary.org/obo/CHEBI_65833 3_STAR CHEBI:65834 biolink:ChemicalSubstance 2,5-epoxy-2beta-hydroxy-8alpha-(2-methylbut-2-enoyloxy)-4(15),10(14),11(13)-germacratrien-12,6alpha-olide A guaiane sesquiterpenoid isolated from Elephantopus mollis and has been shown to exhibit cytotoxic activity. PMID:18239317|Reaxys:11152426 chebi.json (3aR,4S,8R,10R,11R,11aS)-8-hydroxy-10-methoxy-10-methyl-3,6-dimethylidene-2-oxododecahydro-8,11-epoxycyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoate http://purl.obolibrary.org/obo/CHEBI_65834 3_STAR CHEBI:65835 biolink:ChemicalSubstance 2beta-methoxy-2-deethoxyphantomolin A germacranolide that is the 2beta-methoxy-2-deethoxy derivative of phantomolin. Isolated from Elephantopus mollis, it exhibits antineoplastic activity. PMID:18239317|Reaxys:9875998 chebi.json (3aR,4S,6E,8S,11S,11aS)-8-methoxy-6,10-dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,11,11a-octahydro-8,11-epoxycyclodeca[b]furan-4-yl 2-methylprop-2-enoate http://purl.obolibrary.org/obo/CHEBI_65835 3_STAR CHEBI:65840 biolink:ChemicalSubstance emarginatine F A sesquiterpene alkaloid that is a macrolide incorporating a substituted dihydroagarofuran and a pyrindine ring. Isolated from Maytenus emarginata, it exhibits strong cytotoxicity against human epidermoid carcinoma of the nasopharynx (KB), ileocecal adenocarcinoma (HCT-8), melanoma (RPMI-7951) and medulloblastoma (TE-671) tumor cells, and against murine leukemia (P-388). PMID:8176403|CAS:155944-12-0 chebi.json (8beta)-1-O-benzoyl-1-O-2-O-dideacetyl-8-deoxo-2-O-[(1,6-dihydro-1-methyl-6-oxo-3-pyridinyl)carbonyl]-8-hydroxyevonine http://purl.obolibrary.org/obo/CHEBI_65840 3_STAR CHEBI:65841 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_65841 CHEBI:65842 biolink:ChemicalSubstance 5-O-methyl embelin A member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a methoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antileishmanial activity as well as inhibitory activity towards hepatitis C protease. PMID:21989371|PMID:16254827|KNApSAcK:C00002842|PMID:11054840|CAS:56005-10-8|CAS:56005-10-8|KEGG:C10373|Reaxys:2469036|PMID:12963150 chebi.json 2-hydroxy-5-methoxy-3-undecyl-1,4-benzoquinone|2-hydroxy-5-methoxy-3-undecylcyclohexa-2,5-diene-1,4-dione http://purl.obolibrary.org/obo/CHEBI_65842 3_STAR CHEBI:65847 biolink:ChemicalSubstance epi-cochlioquinone A An organic heterotetracyclic that is 1,2,3,4a,5,6,6a,12,12a,12b-decahydropyrano[3,2-a]xanthene-8,11-dione substituted by a 2-hydroxypropan-2-yl group at position 3, hydroxy group at position 12, methyl groups at positions 6a and 12b and a 3-(acetyloxy)-4-methylhexan-2-yl moiety at position 9. Isolated from the fermentation broth of Stachybotrys bisbyi SANK 17777, it acts as an inhibitor of acyl-CoA:cholesterol acyltransferase. PMID:8682715|Reaxys:7609731 chebi.json (2S,3R,4S)-2-[(3R,4aR,6aS,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,6a,8,11,12,12a,12b-dodecahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl acetate http://purl.obolibrary.org/obo/CHEBI_65847 3_STAR CHEBI:65848 biolink:ChemicalSubstance (-)-epicatechin-5-gallate A gallate ester resulting from the formal condensation of gallic acid with 5-hydroxy group of (-)-epicatechin. Isolated from Orostachys japonica, it acts as an inhibitor of the enzyme mu-calpain (EC 3.4.22.52). Reaxys:18892308|PMID:18977282 chebi.json (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-5-yl 3,4,5-trihydroxybenzoate http://purl.obolibrary.org/obo/CHEBI_65848 3_STAR CHEBI:65849 biolink:ChemicalSubstance epichlicin A homodetic cyclic peptide containing L-Pro, D-Tyr, L-Ser, L-Asn and L-Gln as the amino acid residues. Isolated from an endophytic fungus, Epichloe typhina, it exhibits inhibitory activity toward the spore germination of Cladosporium phlei, a pathogenic fungus of the timothy plant. Reaxys:11108273|PMID:17587677 chebi.json 3-[(3R,7S,10R,13S,16S,19S,22S,27aS)-7,13,22-tris(2-amino-2-oxoethyl)-10-(4-hydroxybenzyl)-19-(hydroxymethyl)-1,5,8,11,14,17,20,23-octaoxo-3-undecylhexacosahydro-1H-pyrrolo[2,1-c][1,4,7,10,13,16,19,22]octaazacyclopentacosin-16-yl]propanamide http://purl.obolibrary.org/obo/CHEBI_65849 3_STAR CHEBI:65843 biolink:ChemicalSubstance 5-O-ethyl embelin A member of the class of monohydroxy-1,4-benzoquinones that is embelin in which the hydroxy group at position 5 is replaced by a ethoxy group. Isolated from Lysimachia punctata and Embelia ribes, it exhibits antineoplastic activity. Reaxys:10027880|PMID:16254827 chebi.json 5-ethoxy-2-hydroxy-3-undecyl-1,4-benzoquinone|5-ethoxy-2-hydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione http://purl.obolibrary.org/obo/CHEBI_65843 3_STAR CHEBI:65844 biolink:ChemicalSubstance 1S,4R,6R-1,4-endoperoxy-bisabola-2,10-diene A sesquiterpenoid that is bisabola-2,10-diene substituted by a peroxy group between positions 2 and 10 (the 1S,4R,6R stereoisomer). Isolated from Artemisia stolonifera and Eupatorium rufescens, it exhibits antineoplastic and antiplasmodial activity. PMID:17252501|PMID:10836741|Reaxys:7746152 chebi.json (1S,4R,7R)-5-methyl-7-[(2S)-6-methylhept-5-en-2-yl]-2,3-dioxabicyclo[2.2.2]oct-5-ene http://purl.obolibrary.org/obo/CHEBI_65844 3_STAR CHEBI:65845 biolink:ChemicalSubstance 1R,4S,6R-1,4-endoperoxy-bisabola-2,10-diene A sesquiterpenoid that is bisabola-2,10-diene substituted by a peroxy group between positions 2 and 10 (the 1R,4S,6R stereoisomer). Isolated from Artemisia stolonifera and Eupatorium rufescens, it exhibits antineoplastic and antiplasmodial activity. PMID:17252501|PMID:10836741 chebi.json (1R,4S,7R)-5-methyl-7-[(2S)-6-methylhept-5-en-2-yl]-2,3-dioxabicyclo[2.2.2]oct-5-ene http://purl.obolibrary.org/obo/CHEBI_65845 3_STAR CHEBI:65846 biolink:ChemicalSubstance 20-epi-bryonolic acid A pentacyclic triterpenoid of D:C-friedooleanane-type triterpenoids isolated from the stems of Lagenaria siceraria and roots of Coriaria intermedia and has been found to exhibit antineoplastic activity. PMID:12482456|Reaxys:8176385|PMID:18310955 chebi.json (2S,4aS,6aS,8aR,10S,12aS,14aS,14bR)-10-hydroxy-2,4a,6a,9,9,12a,14a-heptamethyl-1,2,3,4,4a,5,6,6a,7,8,8a,9,10,11,12,12a,13,14,14a,14b-icosahydropicene-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_65846 3_STAR CHEBI:65850 biolink:ChemicalSubstance 7-epiclusianone An enone that is a tetraprenyl benzophenone derivative isolated from Rheedia gardneriana and Garcinia brasiliensis. It exhibits anti-allergic, antibacterial, trypanocidal and vasodilating activities. PMID:10075791|Reaxys:8088873|PMID:17562491|Patent:CN101293821|PMID:21924261|PMID:19653314|PMID:16716915 chebi.json (1R,5R,7S)-3-benzoyl-4-hydroxy-6,6-dimethyl-1,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione http://purl.obolibrary.org/obo/CHEBI_65850 3_STAR CHEBI:65851 biolink:ChemicalSubstance 5alpha,8alpha-epidioxycholest-6-en-3beta-ol A cholestanoid that is cholest-6-ene substituted by a beta-hydroxy group at position 3 and a peroxy group between positions 5 and 8 (the 5alpha,8alpha stereoisomer). Isolated from the sea urchin Diadema setosum, it exhibits cytotoxicity against variuos cancer cell lines. Reaxys:46010|Chemspider:9604856|PMID:15357000 chebi.json (3S,5S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol http://purl.obolibrary.org/obo/CHEBI_65851 3_STAR CHEBI:65852 biolink:ChemicalSubstance (22E,24R)-5alpha,8alpha-epidioxyergosta-6,9,22-triene-3beta-ol-3-O-beta-D-glucopyranoside A sterol 3-beta-D-glucoside that is ergosta-6,9,22-triene-3beta-ol with a peroxy group between positions 5 and 8 and is substituted by a beta-D-glucopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from the fruit bodies of Chlorophyllum molybdites, it exhibits cytotoxicity against Kato III cells. Reaxys:9031469|PMID:11515573 chebi.json (3S,5S,8S,10R,13R,14R,17R)-17-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,3,4,10,12,13,14,15,16,17-decahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-yl beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_65852 3_STAR CHEBI:65853 biolink:ChemicalSubstance 5alpha,8alpha-epidioxysterol A 3beta-sterol that consists of 24-methylcholest-6-en-3beta-ol with a peroxy group between positions 5 and 8 and a methylene group between positions 22 and 23. An antineoplastic agent isolated from Sinularia sp. Reaxys:20596441|PMID:10650100 chebi.json (3S,5S,8S,9R,10R,13R,14R,17R)-10,13-dimethyl-17-[(1R)-1-{(1R,2R)-2-[(2R)-3-methylbutan-2-yl]cyclopropyl}ethyl]-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol|22R,23R,24R-5alpha,8alpha-epidioxy-22,23-methylene-24-methylcholest-6-en-3beta-ol http://purl.obolibrary.org/obo/CHEBI_65853 3_STAR CHEBI:90807 biolink:ChemicalSubstance alpha-D-Manp-(1->3)-[alpha-D-Manp6P-(1->2)-alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->6)-[alpha-D-Manp6P-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc-yl group A branched nonasaccharide glucosaminyl group consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosaminyl residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched tetrasaccharide unit. PMID:26503547 chebi.json alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl-(1->6)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl|alpha-D-Man-(1->3)-[Man6P-alpha-D-Man-(1->2)-alpha-D-(1->6)]-alpha-D-Man-(1->6)-[alpha-D-Man6P-(1->2)-alpha-D-Man-(1->3)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc-yl|2(P)M7(1)|alpha-D-mannopyranosyl-(1->3)-[6-O-phosphono-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)-[6-O-phosphono-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-D-glucopyranosyl http://purl.obolibrary.org/obo/CHEBI_90807 3_STAR CHEBI:90808 biolink:ChemicalSubstance alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp6P-(1->6)]-alpha-D-Manp-(1->6)-[alpha-D-Manp6P-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc An oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched tetrasaccharide unit. PMID:26503547 chebi.json alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl-(1->6)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine|alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man6P-(1->6)]-alpha-D-Man-(1->6)-[alpha-D-Man6P-(1->2)-alpha-D-Man-(1->3)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc|alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[6-O-phosphono-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)-[6-O-phosphono-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-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_90808 3_STAR CHEBI:90809 biolink:ChemicalSubstance alpha-D-Manp-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp6P-(1->6)]-alpha-D-Manp-(1->6)-[alpha-D-Manp6P-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc-yl group A branched nonasaccharide glucosaminyl group consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosaminyl residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched tetrasaccharide unit. PMID:26503547 chebi.json alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[6-O-phosphono-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)-[6-O-phosphono-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-D-glucopyranosyl|alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man6P-(1->6)]-alpha-D-Man-(1->6)-[alpha-D-Man6P-(1->2)-alpha-D-Man-(1->3)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc-yl|2(P)M7(3)|alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl-(1->6)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl http://purl.obolibrary.org/obo/CHEBI_90809 3_STAR CHEBI:65858 biolink:ChemicalSubstance ergosterol peroxide An ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities. PMID:21469696|PMID:11014261|CAS:2061-64-5|Wikipedia:Ergosterol_peroxide|PMID:9635497|PMID:22083593|Reaxys:96852|PMID:15665489|PMID:10423860|Chemspider:4508532|PMID:21428374|PMID:21341709 chebi.json (22E,24R)-5alpha,8alpha-epidioxyergosta-6,22-dien-3beta-ol|ergosterol 5alpha,8alpha-epidioxide|(24R)-5alpha,8alpha-epidioxy-24-methylcholesta-6,22-dien-3beta-ol|peroxyergosterol|(3beta,5alpha,8alpha,22E)-5,8-epidioxyergosta-6,22-dien-3-ol|(3S,5S,8S,9R,10R,13R,14R,17R)-17-[(2R,3E,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,3,4,9,10,11,12,13,14,15,16,17-dodecahydro-2H-5,8-epidioxycyclopenta[a]phenanthren-3-ol|ergosterol-5,8-peroxide|ergosterol endoperoxide|5alpha,8alpha-epidioxy-22E-ergosta-6,22-dien-3beta-ol http://purl.obolibrary.org/obo/CHEBI_65858 3_STAR CHEBI:90814 biolink:ChemicalSubstance 17(R)-HDoHE(1-) A hydroxy polyunsaturated fatty acid anion that is the conjugate base of 17(R)-HDoHE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:12391014|MetaCyc:CPD-17452 chebi.json 17R-HDHA(1-)|17R-hydroxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoate|(4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoate|(4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroxydocosahexaenoate http://purl.obolibrary.org/obo/CHEBI_90814 3_STAR CHEBI:65859 biolink:ChemicalSubstance (2S)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid A beta-D-glucosiduronic acid that is the 7-O-glucuronide of (2S)-eriodictyol. Isolated from the flowers of Chrysanthemum indicum, it exhibits inhibitory activity for rat lens aldose reductase. Reaxys:9239385|PMID:12130858 chebi.json (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranosiduronic acid http://purl.obolibrary.org/obo/CHEBI_65859 3_STAR CHEBI:90815 biolink:ChemicalSubstance (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate A hydroxy polyunsaturated fatty acid anion that is the conjugate base of 13-HDoHE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:12391014 chebi.json (4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosa-4,7,10,14,16,19-hexaenoate|13-HDHA(1-)|(4Z,7Z,10Z,14E,16Z,19Z)-13-hydroxydocosahexaenoate|13-HDoHE(1-)|13-hydroxy-(4Z,7Z,10Z,14E,16Z,19Z)-docosahexaenoate http://purl.obolibrary.org/obo/CHEBI_90815 3_STAR CHEBI:90816 biolink:ChemicalSubstance pentamannose phosphate polysaccharide A phosphomannan in which the repeating unit consists of four alpha(1->3)-linked D-mannose residues, with the residue at the non-reducing end carrying a phosphate group at position 6, and with that at the reducing end being alpha(1->2)-linked to a further D-mannose residue; repeating units are linked from C-1 of the reducing-end mannose to an oxygen of the phosphate group at the non-reducing end. PMID:26503547|PMID:9720238 chebi.json PMP|[6-O-PO3H2)-alpha-D-Manp-(1->3)-alpha-D-Manp-(1->3)-alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-D-Manp-(1->]n|[6P)-alpha-D-Manp-(1->3)-alpha-D-Manp-(1->3)-alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-D-Manp-(1->]n http://purl.obolibrary.org/obo/CHEBI_90816 3_STAR CHEBI:90817 biolink:ChemicalSubstance docosahexaenoyl-CoA(4-) A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of any docosahexaenoyl-CoA; major species at pH 7.3. chebi.json http://purl.obolibrary.org/obo/CHEBI_90817 3_STAR CHEBI:90810 biolink:ChemicalSubstance 5(S),11(R)-DiHETE(1-) An icosanoid anion that is the conjugate base of 5(S),11(R)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:22068350 chebi.json (5S,6E,8Z,11R,12E,14Z)-5,11-dihydroxyicosa-6,8,12,14-tetraenoate|(5S,11R)-dihydroxy-(6E,8Z,12E,14Z)-eicosatetraenoate|(5S,6E,8Z,11R,12E,14Z)-5,11-dihydroxyicosatetraenoate http://purl.obolibrary.org/obo/CHEBI_90810 3_STAR CHEBI:65854 biolink:ChemicalSubstance epigallocatechin-(4beta->8,2beta->O-7)-epicatechin A proanthocyanidin that is a doubly linked dimer composed of (-)-epicatechin and (-)-epigallocatechin as its flavanol units. Isolated from the wood of Xanthoceras sorbifolium, it exhibits inhibitory activity towards HIV-1 protease. PMID:10691716|Reaxys:8532288 chebi.json (2R,3R,8S,14R,15R)-2-(3,4-dihydroxyphenyl)-8-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H,14H-8,14-methanochromeno[7,8-d][1,3]benzodioxocine-3,5,11,13,15-pentol http://purl.obolibrary.org/obo/CHEBI_65854 3_STAR CHEBI:65855 biolink:ChemicalSubstance 16,23-epoxy-5beta-cholestane triglycoside A sterol 3-beta-D-glucoside that is 16,23-epoxycholest-24-ene-3,22-diol substituted by a 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl moiety at position 3 via a glycosidic linkage (the 3beta,5beta,16beta,22R,23S stereoisomer). Isolated from bulbs of Ornithogalum saundersiae, it exhibits inhibitory activity on proliferation of human peripheral blood lymphocytes. Reaxys:8184507|PMID:7586067 chebi.json (3beta,5beta,16beta,22R,23S)-22-hydroxy-16,23-epoxycholest-24-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_65855 3_STAR CHEBI:90811 biolink:ChemicalSubstance beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide A glycopentaosylceramide having beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl component attached to the primary hydroxy function of a ceramide with undefined sphingoid base. chebi.json beta-D-Gal-(1->3)-[alpha-L-Fuc-(1->4)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer|a lactoside III(4)-a-Fuc-Lc4Cer|beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer http://purl.obolibrary.org/obo/CHEBI_90811 3_STAR CHEBI:65856 biolink:ChemicalSubstance 5alpha-epoxyalantolactone A sesquiterpene lactone that is the 5alpha-epoxy derivative of alantolactone. Isolated from the root extracts of Inula helenium, it exhibits antimycobacterial activity. PMID:10364842|Reaxys:5031399 chebi.json (1aR,2S,5aR,6aR,9aR,9bS)-2,5a-dimethyl-9-methylideneoctahydro-2H-oxireno[4,4a]naphtho[2,3-b]furan-8(9H)-one http://purl.obolibrary.org/obo/CHEBI_65856 3_STAR CHEBI:90812 biolink:ChemicalSubstance 5(S),15(R)-DiHETE(1-) An icosanoid anion that is the conjugate base of 5(S),15(R)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:22068350 chebi.json (5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxyicosa-6,8,11,13-tetraenoate|(5S,15R)-dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoate|(5S,6E,8Z,11Z,13E,15R)-5,15-dihydroxyicosatetraenoate http://purl.obolibrary.org/obo/CHEBI_90812 3_STAR CHEBI:65857 biolink:ChemicalSubstance trans-2,3-epoxydeca-4,6,8-triyn-1-ol An epoxide substituted at position 2 by a hydroxymethyl group and at position 3 by a hepta-1,3,5-triyn-1-yl group (the 2S,3S)-diastereomer. It is isolated from Trametes pubescens and exhibits antifungal properties. PMID:8201314 chebi.json (2S,3S)-2,3-epoxydeca-4,6,8-triyn-1-ol|[(2S,3S)-3-(hepta-1,3,5-triyn-1-yl)oxiran-2-yl]methanol http://purl.obolibrary.org/obo/CHEBI_65857 3_STAR CHEBI:90813 biolink:ChemicalSubstance 5(S),15(S)-DiHETE(1-) An icosanoid anion that is the conjugate base of 5(S),15(S)-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. chebi.json (5S,15S)-dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoate|(5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosa-6,8,11,13-tetraenoate|(5S,6E,8Z,11Z,13E,15S)-5,15-dihydroxyicosatetraenoate|(5S,15S)-dihydroxy-(6E,8Z,11Z,13E)-icosatetraenoate|(5S,15S)-dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoate http://purl.obolibrary.org/obo/CHEBI_90813 3_STAR CHEBI:65861 biolink:ChemicalSubstance eriodictoyl-7-O-sophoroside A a disaccharide derivative consisting of eriodictyol beta-D-glucoside having a beta-D-glucosyl residue attached at the 2-position. Isolated from the aerial parts of Globularia alypum, it exhibits antioxidant activity. PMID:16124783|Reaxys:15769701 chebi.json eriodictyol 7-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside|(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside|5,3',4-trihydroxyflavanone-7-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_65861 3_STAR CHEBI:65862 biolink:ChemicalSubstance erybraedin A A member of the class of pterocarpans that is 3,9-dihydroxypterocarpan substituted with prenyl groups at positions 4 and 10 (the 6aR,11aR stereoisomer). Isolated from Erythrina stricta and Erythrina zeyheri, it exhibits antibacterial, antimycobacterial, antiplasmodial and cytotoxic activities. Reaxys:9090260|PMID:17055201|LIPID_MAPS_instance:LMPK12070044|PMID:15597305|PMID:20521535|PMID:8590641|PMID:18087807|CAS:119269-76-0 chebi.json 4-prenylphaseollidin|(6aR,11aR-cis)-6a,11a-dihydro-4,10-bis(3-methyl-2-butenyl)-6H-benzofuro(3,2-c)(1)benzopyran-3,9-diol|(6aR,11aR)-4,10-bis(3-methylbut-2-en-1-yl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol http://purl.obolibrary.org/obo/CHEBI_65862 3_STAR CHEBI:65863 biolink:ChemicalSubstance erylatissin A A member of the class of 7-hydroxyisoflavones in which isoflavone is substituted by hydroxy groups at the 7 and 3' positions, a methoxy group at the 4' position and a prenyl group at position 5'. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. Reaxys:10587410|PMID:15649516 chebi.json 7-hydroxy-3-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-4H-chromen-4-one|7,3'-dihydroxy-4'-methoxy-5'-(gamma,gamma-dimethylallyl)isoflavone http://purl.obolibrary.org/obo/CHEBI_65863 3_STAR CHEBI:65864 biolink:ChemicalSubstance erylatissin B A member of the class of 7-hydroxyisoflavones that is isoflavone with hydroxy groups at C-7 and C-3' positions and a 2,2-dimethylpyran ring fused to ring B across positions C-4' and C-5'. Isolated from the stem wood of Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. Reaxys:10583507|PMID:15649516 chebi.json 7,8'-dihydroxy-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one|7,3'-dihydroxy-6'',6''-dimethyl-4'',5''-dehydropyrano [2'',3'': 4',5']isoflavone http://purl.obolibrary.org/obo/CHEBI_65864 3_STAR CHEBI:65860 biolink:ChemicalSubstance (2R)-eriodictoyl-7-O-beta-D-glucopyranosiduronic acid A beta-D-glucosiduronic acid that is the 7-O-glucuronide of (2R)-eriodictyol. Isolated from the flowers of Chrysanthemum indicum, it exhibits inhibitory activity for rat lens aldose reductase. PMID:12130858|Reaxys:9239386|CAS:133360-47-1 chebi.json (2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranosiduronic acid|(R)-2-(3,4-dihydroxyphenyl)-2,4-dihydro-5-hydroxy-4-oxo-2H-1-benzopyran-7-yl beta-D-glucopyranosiduronic acid|eriodictyol 7-glucuronide http://purl.obolibrary.org/obo/CHEBI_65860 3_STAR CHEBI:65869 biolink:ChemicalSubstance eucalyptal A An organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity. PMID:18020353|Reaxys:15778336 chebi.json (1R,4aS,6aR,7S,12aS,12bS)-4a,8,10-trihydroxy-6a-methyl-4-methylidene-7-(2-methylpropyl)-1-(prop-1-en-2-yl)-2,3,4,4a,5,6,6a,7,12a,12b-decahydro-1H-benzo[c]xanthene-9,11-dicarbaldehyde http://purl.obolibrary.org/obo/CHEBI_65869 3_STAR CHEBI:90803 biolink:ChemicalSubstance alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide A glycopentaosylceramide having alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl component attached to the primary hydroxy function of a ceramide with undefined sphingoid base. PMID:11368156 chebi.json alpha-L-Fucp-(1->2)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer|IV2Fuc-nLc4Cer|a neolactoside IV(2)-alpha-Fuc-nLc4Cer|alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer http://purl.obolibrary.org/obo/CHEBI_90803 3_STAR CHEBI:90804 biolink:ChemicalSubstance alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp6P-(1->6)]-alpha-D-Manp-(1->6)-[alpha-D-Manp6P-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc An oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->2)-6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched tetrasaccharide unit. PMID:26503547 chebi.json alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man6P-(1->6)]-alpha-D-Man-(1->6)-[alpha-D-Man6P-(1->2)-alpha-D-Man-(1->3)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc|alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->2)-6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl-(1->6)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine|alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-6-O-phosphono-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)-[6-O-phosphono-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-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_90804 3_STAR CHEBI:90805 biolink:ChemicalSubstance alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->2)-alpha-D-Manp6P-(1->6)]-alpha-D-Manp-(1->6)-[alpha-D-Manp6P-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc-yl group A branched nonasaccharide glucosaminyl group consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosaminyl residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->2)-6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched tetrasaccharide unit. PMID:26503547 chebi.json alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->2)-6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl-(1->6)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl|2(P)M7(1)|alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->2)-6-O-phosphono-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)-[6-O-phosphono-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-D-glucopyranosyl|alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man6P-(1->6)]-alpha-D-Man-(1->6)-[alpha-D-Man6P-(1->2)-alpha-D-Man-(1->3)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc-yl http://purl.obolibrary.org/obo/CHEBI_90805 3_STAR CHEBI:90806 biolink:ChemicalSubstance alpha-D-Manp-(1->3)-[alpha-D-Manp6P-(1->2)-alpha-D-Manp-(1->6)]-alpha-D-Manp-(1->6)-[alpha-D-Manp6P-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc An oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched tetrasaccharide unit. PMID:26503547 chebi.json alpha-D-Man-(1->3)-[Man6P-alpha-D-Man-(1->2)-alpha-D-(1->6)]-alpha-D-Man-(1->6)-[alpha-D-Man6P-(1->2)-alpha-D-Man-(1->3)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc|alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl-(1->6)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine|alpha-D-mannopyranosyl-(1->3)-[6-O-phosphono-alpha-D-mannopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)-[6-O-phosphono-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-D-glucopyranose http://purl.obolibrary.org/obo/CHEBI_90806 3_STAR CHEBI:65865 biolink:ChemicalSubstance erylatissin C A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 3', a methoxy group at position 4' and a prenyl group at position 5'. Isolated from Erythrina latissima, it exhibits antimicrobial and radical scavenging activities. Reaxys:10590939|PMID:15649516 chebi.json (-)-7,3'-dihydroxy-4'-methoxy-5'-(gamma,gamma-dimethylallyl)flavanone|(2S)-7-hydroxy-2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-2,3-dihydro-4H-chromen-4-one http://purl.obolibrary.org/obo/CHEBI_65865 3_STAR CHEBI:90800 biolink:ChemicalSubstance beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide A glycotetraosylceramide having beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl component attached to the primary hydroxy function of a ceramide with undefined sphingoid base. PMID:11368156 chebi.json Lc4Cer|beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer|beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer http://purl.obolibrary.org/obo/CHEBI_90800 3_STAR CHEBI:65866 biolink:ChemicalSubstance esculeoside A A steroid saponin that is spirosolane-3,23,27-triol in which the hydroxy group at position 23 is acetylated and the hydroxy groups at positions 3 and 27 are glycosylated by lycotetraosyl and a beta-D-glucopyranosyl moieties respectively. Isolated from the fruits of Lycopersicon esculentum, it exhibits cytotoxic activity. PMID:12576668|Reaxys:9381913 chebi.json (3beta,5alpha,22alpha,23S,25S)-27-(beta-D-glucopyranosyloxy)-3-{[beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranosyl]oxy}spirosolan-23-yl acetate|(23S,25S)-23-acetoxy-5alpha,22alphaN-3beta,27-dihydroxyspirosolan-3-O-beta-lycotetraosyl-27-O-beta-D-glucopyranoside http://purl.obolibrary.org/obo/CHEBI_65866 3_STAR CHEBI:90801 biolink:ChemicalSubstance 19-hydroxyprostaglandin H1(1-) A prostaglandin carboxylic acid anion that is the conjugate base of 19-hydroxyprostaglandin H1, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:10791960 chebi.json 19-hydroxyprostaglandin H1|7-{(1R,4S,5R,6R)-6-[(1E,3S)-3,7-dihydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoate http://purl.obolibrary.org/obo/CHEBI_90801 3_STAR CHEBI:65867 biolink:ChemicalSubstance espicufolin A naphthochromene that is 4H-naphtho[2,3-h]chromene which is substituted at position 2 by a (2R)-butan-2-yl group, at position 5 by a hydroxymethyl group, at position 11 by a hydroxy group, and at positions 4, 7, and 12 by oxogroups. An antibiotic isolated from Streptomyces sp. cu39, it exerts a potent protecting effect on neuronal cells through suppressing L-glutamate toxicity. Reaxys:8804787|PMID:8931733 chebi.json 2-[(2R)-butan-2-yl]-11-hydroxy-5-(hydroxymethyl)-4H-naphtho[2,3-h]chromene-4,7,12-trione http://purl.obolibrary.org/obo/CHEBI_65867 3_STAR CHEBI:90802 biolink:ChemicalSubstance alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide A glycopentaosylceramide having alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl component attached to the primary hydroxy function of a ceramide with undefined sphingoid base. PMID:11368156 chebi.json alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1<->1')-Cer|alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer|IV2Fuc-Lc4Cer|alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide http://purl.obolibrary.org/obo/CHEBI_90802 3_STAR CHEBI:65868 biolink:ChemicalSubstance etnangien A macrolide antibiotic isolated from the culture broth of the myxobacterium Sorangium cellulosum and has been found to be active against Gram-positive bacteria. Patent:EP2014655|Patent:WO2008142046|PMID:19645468|PMID:22832317|Patent:DE19630980|Patent:EP2247740|PMID:17547459|Reaxys:18923823 chebi.json (4E,6S,8E,10E,12E,14E,16E,18E,20R,21R)-6,20-dihydroxy-4,18-dimethyl-21-[(2S,4R,8S,10Z,12E,15S,16R,17S,18S,19R,20R)-4,16,18,20-tetrahydroxy-8-methoxy-15,17,19-trimethyl-22-oxooxacyclodocosa-10,12-dien-2-yl]docosa-4,8,10,12,14,16,18-heptaenoic acid http://purl.obolibrary.org/obo/CHEBI_65868 3_STAR CHEBI:51228 biolink:ChemicalSubstance magnesium tetraphenylporphyrin Gmelin:468198|CAS:14640-21-2|CAS:14640-21-2 chebi.json [5,10,15,20-tetraphenylporphyrinato(2-)-kappa(4)N(21),N(22),N(23),N(24)]magnesium|magnesium meso-tetraphenylporphine http://purl.obolibrary.org/obo/CHEBI_51228 3_STAR CHEBI:170486 biolink:ChemicalSubstance PA(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) LIPID_MAPS_instance:LMGP10010549|HMDB:HMDB0115108|Chemspider:74876850 chebi.json [(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-phosphonooxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170486 2_STAR CHEBI:51229 biolink:ChemicalSubstance magnesium phthalocyanine Gmelin:14787|CAS:1661-03-6|CAS:1661-03-6|Beilstein:635045 chebi.json (phthalocyaninato(2-))magnesium|(SP-4-1)-(29H,31H-phthalocyaninato(2-)-kappaN(29),kappaN(30),kappaN(31),kappaN(32))magnesium|(SP-4-1)-(29H,31H-phthalocyaninato(2-)-N(29),N(30),N(31),N(32))magnesium|[29H,31H-phthalocyaninato(2-)-kappa(4)N(29),N(30),N(31),N(32)]magnesium http://purl.obolibrary.org/obo/CHEBI_51229 3_STAR CHEBI:170487 biolink:ChemicalSubstance TG(14:0/18:1(11Z)/16:0) Chemspider:59651890|HMDB:HMDB0042333 chebi.json [(2S)-1-hexadecanoyloxy-3-tetradecanoyloxypropan-2-yl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170487 2_STAR CHEBI:170488 biolink:ChemicalSubstance PA(18:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) Chemspider:74876714|LIPID_MAPS_instance:LMGP10010363|HMDB:HMDB0114967 chebi.json [(2R)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170488 2_STAR CHEBI:170489 biolink:ChemicalSubstance TG(14:0/16:1(9Z)/18:0) LIPID_MAPS_instance:LMGL03014250 chebi.json [(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170489 2_STAR CHEBI:51224 biolink:ChemicalSubstance YoYo-1 CAS:143413-85-8 chebi.json 1,1'-(4,4,7,7-tetramethyl-4,7-diazaundecamethylene)-bis-4-(3-methyl-2,3-dihydro-(benzo-1,3-oxazole)-2-methylidene)-quinolinium tetraiodide|1,1'-((4,4,7,7-tetramethyl)-4,7-diazaundecamethylene)bis-4-(3-methyl-2,3-dihydro(benzo-1,3-oxazole)-2-methylidene)quinolinium tetraiodide|1,1'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diyl]}bis{4-[(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]quinolinium} tetraiodide|N,N,N',N'-tetramethyl-N,N'-bis(3-(4-((3-methyl-2(3H)-benzoxazolylidene)methyl)quinolinium-1-yl)propyl)1,3-propanediaminium tetraiodide|2,2'-{propane-1,3-diylbis[(dimethylazaniumdiyl)propane-3,1-diylquinolin-1-yl-4-ylidenemethylylidene]}bis(3-methyl-1,3-benzoxazol-3-ium) tetraiodide|1,1'-(1,3-propanediylbis((dimethyliminio)-3,1-propanediyl))bis(4-(3-methyl-2(3H)-benzoxazolylidene)methyl)quinolinium tetraiodide http://purl.obolibrary.org/obo/CHEBI_51224 3_STAR CHEBI:26268 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26268 CHEBI:51225 biolink:ChemicalSubstance Yo-Pro-1 An unsymmetrical C1 cyanine dye having 1,3-benzoxazol-2-yl and quinolinium-4-yl substituents. CAS:152068-09-2 chebi.json 4-[(3-methyl-1,3-benzoxazol-2(3H)-ylidene)methyl]-1-[3-(trimethylammonio)propyl]quinolinium diiodide|YO-Pro-1|4-((3-methyl-2(3H)-benzoxazolylidene)methyl)-1-(3-(trimethylammonio)propyl)quinolinium diiodide|3-methyl-2-[{1-[3-(trimethylammonio)propyl]quinolin-4(1H)-ylidene}methyl]-1,3-benzoxazol-3-ium diiodide http://purl.obolibrary.org/obo/CHEBI_51225 3_STAR CHEBI:26269 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26269 CHEBI:51226 biolink:ChemicalSubstance epicocconone A natural cell-permeable fluorescent compound isolated from the fungus Epicoccum nigrum. Beilstein:9529236 chebi.json Lava Purple|Lightning Fast|Deep Purple|(6S,9aS)-6-(hydroxymethyl)-3-[(1Z,4E,6E,8E)-1-hydroxy-3-oxodeca-1,4,6,8-tetraen-1-yl]-9a-methyl-5,6-dihydro-2H-furo[3,2-g]isochromene-2,9(9aH)-dione http://purl.obolibrary.org/obo/CHEBI_51226 3_STAR CHEBI:51227 biolink:ChemicalSubstance magnesium octaethylporphyrin CAS:20910-35-4|CAS:20910-35-4|Gmelin:90834|Beilstein:1235208 chebi.json MgOEP|2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine magnesium(II)|2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine magnesium|[2,3,7,8,12,13,17,18-octaethylporphyrinato(2-)-kappa(4)N(21),N(22),N(23),N(24)]magnesium http://purl.obolibrary.org/obo/CHEBI_51227 3_STAR CHEBI:26264 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26264 CHEBI:26265 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26265 CHEBI:26266 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26266 CHEBI:26267 biolink:ChemicalSubstance proanthocyanidin A flavonoid oligomer obtained by the the condensation of two or more units of hydroxyflavans. Wikipedia:Proanthocyanidin chebi.json proanthocyanidins|polyflavonoid tannins|condensed tannins http://purl.obolibrary.org/obo/CHEBI_26267 3_STAR CHEBI:26260 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26260 CHEBI:26261 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26261 CHEBI:26262 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26262 CHEBI:26263 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26263 CHEBI:9409 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9409 CHEBI:9405 biolink:ChemicalSubstance tartrazine An organic sodium salt which is the trisodium salt of tartrazine acid. A synthetic lemon yellow azo dye used as a food colouring. PMID:7258046|Beilstein:906396|PMID:6721262|PMID:2239641|KEGG:C07574|PMID:17218045|Wikipedia:Tartrazine|Reaxys:11325279|CAS:1934-21-0|PMID:3425858|CAS:1934-21-0 chebi.json CI 19140|Acid yellow 23|Tartrazine|FD & C Yellow no. 5|E102|4,5-Dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic acid, trisodium salt|trisodium 5-oxo-1-(4-sulfonatophenyl)-4-[(E)-(4-sulfonatophenyl)diazenyl]-4,5-dihydro-1H-pyrazole-3-carboxylate http://purl.obolibrary.org/obo/CHEBI_9405 3_STAR CHEBI:9406 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9406 CHEBI:9407 biolink:ChemicalSubstance taurochenodeoxycholate An organosulfonate oxoanion that is the conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3. Beilstein:3919127|KEGG:C05465 chebi.json Taurochenodeoxycholate|taurochenodeoxycholate(1-)|2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate|taurochenodeoxycholate anion|taurochenodeoxycholate http://purl.obolibrary.org/obo/CHEBI_9407 3_STAR CHEBI:9408 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9408 CHEBI:9401 biolink:ChemicalSubstance taraxasterol A pentacyclic triterpenoid that is taraxastane with a beta-hydroxy group at position 3. PMID:22608078|HMDB:HMDB0035920|CAS:1059-14-9|MetaCyc:CPD-6949|PMID:22366673|PMID:23148482|CAS:1059-14-9|PMID:10408235|PMID:15640948|KNApSAcK:C00003757|KEGG:C08636|LIPID_MAPS_instance:LMPR0106180006 chebi.json isolactucerol|(3beta,18alpha,19alpha)-urs-20(30)-en-3-ol|taraxasterin|alpha-lactucerol|Taraxasterol http://purl.obolibrary.org/obo/CHEBI_9401 3_STAR CHEBI:51220 biolink:ChemicalSubstance zinc tetramesitylporphyrin Beilstein:4648207 chebi.json [5,10,15,20-tetrakis(2,4,6-trimethylphenyl)porphyrinato(2-)-kappa(4)N(21),N(22),N(23),N(24)]zinc http://purl.obolibrary.org/obo/CHEBI_51220 3_STAR CHEBI:9402 biolink:ChemicalSubstance taraxerol A pentacyclic triterpenoid that is oleanan-3-ol lacking the methyl group at position 14, with an alpha-methyl substituent at position 13 and a double bond between positions 14 and 15. CAS:127-22-0|KNApSAcK:C00003758|PMID:17994532|MetaCyc:17803686|KEGG:C08637|CAS:127-22-0|PMID:17803686|Reaxys:2063451 chebi.json D-friedoolean-14-en-3beta-ol|tiliadin|(3beta)-D-friedoolean-14-en-3-ol|(3S,4aR,6aR,8aR,12aR,12bS,14aR,14bR)-4,4,6a,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6,6a,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol|taraxerol|skimmiol|alnulin http://purl.obolibrary.org/obo/CHEBI_9402 3_STAR CHEBI:51221 biolink:ChemicalSubstance zinc tetraphenylporphyrin Beilstein:635258|CAS:14074-80-7|CAS:14074-80-7 chebi.json (SP-4-1)-(5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-kappaN(21),kappaN(22),kappaN(23),kappaN(24))zinc|zinc meso-tetraphenylporphine|tetraphenylporphinatozinc(II)|(SP-4-1)-(5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N(21),N(22),N(23),N(24))zinc|tetraphenylporphyrin zinc complex|(5,10,15,20-tetraphenylporphyrinato)zinc|tetraphenylporphyrinzinc(II)|[5,10,15,20-tetraphenylporphyrinato(2-)-kappa(4)N(21),N(22),N(23),N(24)]zinc|5,10,15,20-tetraphenyl-21H,23H-porphine zinc http://purl.obolibrary.org/obo/CHEBI_51221 3_STAR CHEBI:170480 biolink:ChemicalSubstance PA(22:4(7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) LIPID_MAPS_instance:LMGP10010799|Chemspider:74877071|HMDB:HMDB0115331 chebi.json [(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-phosphonooxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170480 2_STAR CHEBI:51222 biolink:ChemicalSubstance YoYo-3 CAS:156312-20-8 chebi.json 1,1'-[3,7-bis(dimethyliminio)nonane-1,9-diyl]bis{4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium} tetraiodide|2,2'-{[3,7-bis(dimethyliminio)nonane-1,9-diyl]bis[quinolin-1-yl-4-ylideneprop-1-en-1-yl-3-ylidene]}bis(3-methyl-1,3-benzoxazol-3-ium) tetraiodide http://purl.obolibrary.org/obo/CHEBI_51222 3_STAR CHEBI:9403 biolink:ChemicalSubstance Tarennoside KEGG:C11654|KNApSAcK:C00010709 chebi.json Tarennoside http://purl.obolibrary.org/obo/CHEBI_9403 2_STAR CHEBI:51223 biolink:ChemicalSubstance 2-methylalanyl-D-tryptophan chebi.json alpha-aminoisobutyryl-D-tryptophan|(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoic acid|2-methylalanyl-D-tryptophan http://purl.obolibrary.org/obo/CHEBI_51223 3_STAR CHEBI:170481 biolink:ChemicalSubstance TG(15:0/15:0/18:1(11Z)) HMDB:HMDB0042997|Chemspider:59652530 chebi.json [(2S)-2,3-di(pentadecanoyloxy)propyl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170481 2_STAR CHEBI:9404 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9404 CHEBI:170482 biolink:ChemicalSubstance PA(22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) Chemspider:74877047|LIPID_MAPS_instance:LMGP10010771|HMDB:HMDB0115307 chebi.json [(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170482 2_STAR CHEBI:170483 biolink:ChemicalSubstance TG(14:0/20:1(11Z)/14:0) HMDB:HMDB0042391|Chemspider:30777662 chebi.json 1,3-di(tetradecanoyloxy)propan-2-yl (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170483 2_STAR CHEBI:170484 biolink:ChemicalSubstance PA(20:5(5Z,8Z,11Z,14Z,17Z)/20:1(11Z)) LIPID_MAPS_instance:LMGP10010666|Chemspider:74876950|HMDB:HMDB0115210 chebi.json [(2R)-1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170484 2_STAR CHEBI:9400 biolink:ChemicalSubstance tangeretin A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8. Patent:CN102344429|LIPID_MAPS_instance:LMPK12111443|CAS:481-53-8|PMID:23254473|PMID:23137376|Beilstein:351695|Wikipedia:Tangeritin|Reaxys:351695|HMDB:HMDB0030539|PMID:22476082|CAS:481-53-8|KNApSAcK:C00001105|PMID:23265538|PMID:22850615|Patent:CN101947215|PMID:22585555|LINCS:LSM-2548|KEGG:C10190 chebi.json 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one|4',5,6,7,8-pentamethoxyflavone|Tangeretin|5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one|tangeritin|5,6,7,8,4'-Pentamethoxyflavone http://purl.obolibrary.org/obo/CHEBI_9400 3_STAR CHEBI:170485 biolink:ChemicalSubstance TG(14:0/18:1(9Z)/16:0) HMDB:HMDB0042363|Chemspider:59651919 chebi.json [(2S)-1-hexadecanoyloxy-3-tetradecanoyloxypropan-2-yl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170485 2_STAR CHEBI:170497 biolink:ChemicalSubstance TG(14:0/16:0/18:1(11Z)) HMDB:HMDB0042130|Chemspider:59651694 chebi.json [(2S)-2-hexadecanoyloxy-3-tetradecanoyloxypropyl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170497 2_STAR CHEBI:51217 biolink:ChemicalSubstance fluorochrome A fluorescent dye used to stain biological specimens. chebi.json fluorochromes http://purl.obolibrary.org/obo/CHEBI_51217 3_STAR CHEBI:170498 biolink:ChemicalSubstance PA(22:2(13Z,16Z)/18:3(6Z,9Z,12Z)) HMDB:HMDB0115305|LIPID_MAPS_instance:LMGP10010769|Chemspider:74877045 chebi.json [(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-phosphonooxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170498 2_STAR CHEBI:51218 biolink:ChemicalSubstance zinc phthalocyanine Beilstein:505531|Gmelin:20368|CAS:14320-04-8|CAS:14320-04-8 chebi.json phthalocyanine zinc|(SP-4-1)-(phthalocyaninato(2-)-N(29),N(30),N(31),N(32))zinc|ciaftalan zinc|ciaftalanum zincum|ciaftalane zinc|ciaftalan zinc|[29H,31H-phthalocyaninato(2-)-kappa(4)N(29),N(30),N(31),N(32)]zinc http://purl.obolibrary.org/obo/CHEBI_51218 3_STAR CHEBI:170499 biolink:ChemicalSubstance TG(14:0/14:0/20:1(11Z)) LIPID_MAPS_instance:LMGL03012770 chebi.json [(2R)-2,3-di(tetradecanoyloxy)propyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170499 2_STAR CHEBI:51219 biolink:ChemicalSubstance zinc tetrapyrrole chebi.json zinc tetrapyrroles http://purl.obolibrary.org/obo/CHEBI_51219 3_STAR CHEBI:51213 biolink:ChemicalSubstance pivmecillinam hydrochloride CAS:32887-03-9|KEGG:D01499 chebi.json amdinocillin pivoxil hydrochloride|pivmecilinamo clorhidrato|[(2,2-dimethylpropanoyl)oxy]methyl 6beta-[(azepan-1-ylmethylidene)amino]-2,2-dimethylpenam-3alpha-carboxylate hydrochloride|Melysin|Selexid http://purl.obolibrary.org/obo/CHEBI_51213 3_STAR CHEBI:26279 biolink:ChemicalSubstance propan-1-ols A primary alcohol based on a propan-1-olskeleton and its substituted derivatives. chebi.json propan-1-ols http://purl.obolibrary.org/obo/CHEBI_26279 3_STAR CHEBI:51214 biolink:ChemicalSubstance diamminedichloroplatinum CAS:14913-33-8|Gmelin:101110 chebi.json diammine(dichloro)platinum|diamminedichloridoplatinum(II)|diamminedichloridoplatinum|diamminedichloroplatinum(II)|diammineplatinum dichloride|diamminedichloroplatinum http://purl.obolibrary.org/obo/CHEBI_51214 3_STAR CHEBI:51215 biolink:ChemicalSubstance zinc octaethylporphyrin Beilstein:8181299|Beilstein:4612711|CAS:17632-18-7|Gmelin:46496|CAS:17632-18-7 chebi.json 2,3,7,8,12,13,17,18-octaethyl-21H,23H-porphine zinc(II)|[2,3,7,8,12,13,17,18-octaethylporphyrinato(2-)-kappa(4)N(21),N(22),N(23),N(24)]zinc http://purl.obolibrary.org/obo/CHEBI_51215 3_STAR CHEBI:51216 biolink:ChemicalSubstance zinc porphyrin chebi.json Zn porphyrins|zinc porphyrins http://purl.obolibrary.org/obo/CHEBI_51216 3_STAR CHEBI:26275 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26275 CHEBI:26276 biolink:ChemicalSubstance prometryn A diamino-1,3,5-triazine that is N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a methylsulfanediyl group at position 6. UM-BBD_compID:c0255|Patent:CN101971818|CAS:7287-19-6|Patent:CN101971820|LINCS:LSM-20941|PMID:24485317|CAS:7287-19-6|Pesticides:prometryn|PMID:24138459|CAS:7287-19-6|Gmelin:1044597|KEGG:C18542|MetaCyc:CPD-9344|Beilstein:613575|Reaxys:613575|PPDB:542 chebi.json 2-(methylthio)-4,6-bis(isopropylamino)-s-triazine|N,N'-diisopropyl-6-(methylthio)-1,3,5-triazine-2,4-diamine|Prometryne|6-(methylsulfanyl)-N,N'-di(propan-2-yl)-1,3,5-triazine-2,4-diamine|N,N'-bis(1-methylethyl)-6-methylthio-1,3,5-triazine-2,4-diamine|Prometryn http://purl.obolibrary.org/obo/CHEBI_26276 3_STAR CHEBI:26277 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26277 CHEBI:26278 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26278 CHEBI:26271 biolink:ChemicalSubstance proline An alpha-amino acid that is pyrrolidine bearing a carboxy substituent at position 2. CAS:609-36-9|Reaxys:80809|CAS:609-36-9|PMID:16534801|PMID:22264337|CAS:609-36-9|PMID:22770225|KEGG:C16435|PMID:21400017|Beilstein:80809|Wikipedia:Proline|PMID:21903295|PMID:22280966|Gmelin:26927 chebi.json proline|Hpro|Prolin|proline|DL-Proline|prolina|pyrrolidine-2-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_26271 3_STAR CHEBI:26272 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26272 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. chebi.json proline derivatives http://purl.obolibrary.org/obo/CHEBI_26273 3_STAR CHEBI:26274 biolink:ChemicalSubstance prolyl group chebi.json pyrrolidine-2-carbonyl|prolyl http://purl.obolibrary.org/obo/CHEBI_26274 3_STAR CHEBI:99190 biolink:ChemicalSubstance (3R)-2-tert-butylsulfinyl-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylic acid LINCS:LSM-10569 chebi.json http://purl.obolibrary.org/obo/CHEBI_99190 2_STAR CHEBI:99191 biolink:ChemicalSubstance (2S,3S,4S)-2-cyano-N-cyclohexyl-4-(hydroxymethyl)-3-[4-(4-methoxyphenyl)phenyl]-1-azetidinecarboxamide LINCS:LSM-10570 chebi.json http://purl.obolibrary.org/obo/CHEBI_99191 2_STAR CHEBI:99192 biolink:ChemicalSubstance 2-[(2S,4aS,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide LINCS:LSM-10571 chebi.json http://purl.obolibrary.org/obo/CHEBI_99192 2_STAR CHEBI:26280 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26280 CHEBI:99193 biolink:ChemicalSubstance N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-5-[4-oxanyl(oxo)methyl]-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]methanesulfonamide LINCS:LSM-10572 chebi.json http://purl.obolibrary.org/obo/CHEBI_99193 2_STAR CHEBI:26281 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26281 CHEBI:9416 biolink:ChemicalSubstance (+)-taxifolin 3-O-acetate An acetate ester obtained by formal condensation between the 3-hydroxy group of (+)-taxifolin and acetic acid. KNApSAcK:C00008743|KEGG:C09967|Reaxys:4209835|CAS:78834-97-6 chebi.json Taxifolin 3-O-acetate|dihydroquercetin 3-acetate|(2R,3R)-taxifolin-3-acetate|3beta-acetoxyeriodictyol|(2R,3R)-dihydroquercetin 3-acetate|(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-3,4-dihydro-2H-chromen-3-yl acetate|3-O-acetyltaxifolin http://purl.obolibrary.org/obo/CHEBI_9416 3_STAR CHEBI:99194 biolink:ChemicalSubstance 2-[(2S,4aR,12aR)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide LINCS:LSM-10573 chebi.json http://purl.obolibrary.org/obo/CHEBI_99194 2_STAR CHEBI:99195 biolink:ChemicalSubstance LSM-10574 LINCS:LSM-10574 chebi.json http://purl.obolibrary.org/obo/CHEBI_99195 2_STAR CHEBI:9417 biolink:ChemicalSubstance Taxine A CAS:1361-49-5|KNApSAcK:C00002364|KEGG:C10619 chebi.json Taxine A http://purl.obolibrary.org/obo/CHEBI_9417 2_STAR CHEBI:99196 biolink:ChemicalSubstance N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-methoxybenzamide LINCS:LSM-10575 chebi.json http://purl.obolibrary.org/obo/CHEBI_99196 2_STAR CHEBI:9418 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9418 CHEBI:9419 biolink:ChemicalSubstance Taxodione CAS:19026-31-4|KEGG:C09194|KNApSAcK:C00003488 chebi.json Taxodione http://purl.obolibrary.org/obo/CHEBI_9419 2_STAR CHEBI:99197 biolink:ChemicalSubstance N-[(2S,3R,6S)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]propanamide LINCS:LSM-10576 chebi.json http://purl.obolibrary.org/obo/CHEBI_99197 2_STAR CHEBI:99198 biolink:ChemicalSubstance (2R,3R,3aS,9bS)-1-[cyclopropyl(oxo)methyl]-3-(hydroxymethyl)-6-oxo-7-phenyl-N-(2-pyridin-4-ylethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide LINCS:LSM-10577 chebi.json http://purl.obolibrary.org/obo/CHEBI_99198 2_STAR CHEBI:9412 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9412 CHEBI:99199 biolink:ChemicalSubstance (2R,3S,4S)-3-[4-[2-(3-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)-1-[4-oxanyl(oxo)methyl]-2-azetidinecarbonitrile LINCS:LSM-10578 chebi.json http://purl.obolibrary.org/obo/CHEBI_99199 2_STAR CHEBI:51210 biolink:ChemicalSubstance pivmecillinam A penicillanic acid ester that is the [(2,2-dimethylpropanoyl)oxy]methyl ester and prodrug of mecillinam. DrugBank:DB01605|Patent:US3957764|LINCS:LSM-3494|CAS:32886-97-8|Beilstein:9014155|Patent:DE2055531 chebi.json pivmecillinam|[(2,2-dimethylpropanoyl)oxy]methyl 6beta-[(azepan-1-ylmethylidene)amino]-2,2-dimethylpenam-3alpha-carboxylate|pivmecilinamo|pivmecillinamum|amdinocillin pivoxil|[(2,2-dimethylpropanoyl)oxy]methyl (2S,5R,6R)-6-[(azepan-1-ylmethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate|amdinocillin, pivaloyloxymethyl ester http://purl.obolibrary.org/obo/CHEBI_51210 3_STAR CHEBI:170490 biolink:ChemicalSubstance PA(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) HMDB:HMDB0115047|LIPID_MAPS_instance:LMGP10010451|Chemspider:74876791 chebi.json [(2R)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170490 2_STAR CHEBI:9413 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9413 CHEBI:51211 biolink:ChemicalSubstance alprenolol A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent. Wikipedia:Alprenolol|CAS:13655-52-2|Drug_Central:137|Patent:NL6612958|KEGG:D07156|LINCS:LSM-1238|PMID:19882938|Beilstein:1913441|PMID:19203609|Patent:NL6605692|HMDB:HMDB0015004|PMID:22841109|PMID:21958537|Reaxys:1913441|DrugBank:DB00866 chebi.json 1-(2-Allylphenoxy)-3-isopropylamino-2-propanol|alprenololum|alprenolol|1-[2-(propen-2-ylphenoxy)]-3-(isopropylamino)propan-2-ol|Alfeprol|alprenolol|1-(o-Allylphenoxy)-3-(isopropylamino)-2-propanol http://purl.obolibrary.org/obo/CHEBI_51211 3_STAR CHEBI:9414 biolink:ChemicalSubstance Tautomycin KNApSAcK:C00017872|CAS:109946-35-2|KEGG:C05372 chebi.json Tautomycin http://purl.obolibrary.org/obo/CHEBI_9414 2_STAR CHEBI:170491 biolink:ChemicalSubstance TG(14:0/14:1(9Z)/20:0) LIPID_MAPS_instance:LMGL03014152 chebi.json [(2R)-3-tetradecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170491 2_STAR CHEBI:170492 biolink:ChemicalSubstance PA(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)) HMDB:HMDB0115547|Chemspider:74877285|LIPID_MAPS_instance:LMGP10010578 chebi.json [(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-phosphonooxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170492 2_STAR CHEBI:9415 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9415 CHEBI:51212 biolink:ChemicalSubstance penicillanic acid ester chebi.json penicillanic acid ester http://purl.obolibrary.org/obo/CHEBI_51212 3_STAR CHEBI:170493 biolink:ChemicalSubstance TG(14:0/20:0/14:1(9Z)) HMDB:HMDB0042188|Chemspider:59651750 chebi.json [(2S)-1-tetradecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170493 2_STAR CHEBI:170494 biolink:ChemicalSubstance PA(22:4(7Z,10Z,13Z,16Z)/18:1(9Z)) Chemspider:74877070|HMDB:HMDB0115330|LIPID_MAPS_instance:LMGP10010798 chebi.json [(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170494 2_STAR CHEBI:9410 biolink:ChemicalSubstance taurodeoxycholic acid A bile acid taurine conjugate of deoxycholic acid. Beilstein:3228310|LINCS:LSM-5477|HMDB:HMDB0000896|Wikipedia:Taurodeoxycholic_acid|CAS:516-50-7|KEGG:C05463|Reaxys:3228310|LIPID_MAPS_instance:LMST05040013 chebi.json taurodeoxycholic acid|Taurodeoxycholate|2-[(3alpha,12alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid http://purl.obolibrary.org/obo/CHEBI_9410 3_STAR CHEBI:170495 biolink:ChemicalSubstance TG(14:0/18:0/16:1(9Z)) HMDB:HMDB0042159|Chemspider:59651722 chebi.json [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropan-2-yl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170495 2_STAR CHEBI:170496 biolink:ChemicalSubstance PA(22:2(13Z,16Z)/18:3(9Z,12Z,15Z)) HMDB:HMDB0115306|Chemspider:74877046|LIPID_MAPS_instance:LMGP10010770 chebi.json [(2R)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-phosphonooxypropyl] (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170496 2_STAR CHEBI:9411 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9411 CHEBI:51206 biolink:ChemicalSubstance cyclobutene Beilstein:635681|CAS:822-35-5|Gmelin:100508|CAS:822-35-5 chebi.json 1-cyclobutene|cyclobutene http://purl.obolibrary.org/obo/CHEBI_51206 3_STAR CHEBI:51207 biolink:ChemicalSubstance penicillin O A penicillin where the side-chain N-acyl group is specified as allylmercaptoacetyl. Antibiotic isolated from Penicillium chrysogenum. CAS:87-09-2|PMID:13761469|Beilstein:44307|KEGG:C17405|Patent:US2623876|Drug_Central:3422|CAS:87-09-2|Patent:US2528175|Reaxys:44307 chebi.json allylmercaptomethylpenicillinic acid|allylmercaptomethylpenicillin|(2S,5R,6R)-3,3-dimethyl-7-oxo-6-{[(prop-2-en-1-ylsulfanyl)acetyl]amino}-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|almecillin|6beta-[(prop-2-en-1-ylsulfanyl)acetamido]-2,2-dimethylpenam-3alpha-carboxylic acid|(2S,5R,6R)-6-{[(allylsulfanyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|almecilina|almecilline|penicillin AT|almecillinum|allylthiomethylpenicillin http://purl.obolibrary.org/obo/CHEBI_51207 3_STAR CHEBI:51208 biolink:ChemicalSubstance mecillinam A penicillin in which the 6beta substituent is [(azepan-1-yl)methylidene]amino; an extended-spectrum penicillin antibiotic that binds specifically to penicillin binding protein 2 (PBP2), and is only considered to be active against Gram-negative bacteria. Reaxys:1223657|Patent:US3957764|Beilstein:1223657|LINCS:LSM-5528|Patent:DE2055531|CAS:32887-01-7|DrugBank:DB01163 chebi.json amdinocillin|mecilinamo|mecillinamum|(2S,5R,6R)-6-[(azepan-1-ylmethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|penicillin HX|Coactin|mecillinam|6beta-{[(azepan-1-yl)methylidene]amino}-2,2-dimethylpenam-3alpha-carboxylic acid http://purl.obolibrary.org/obo/CHEBI_51208 3_STAR CHEBI:51209 biolink:ChemicalSubstance pseudoephedrine A member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group. PMID:17230461|PMID:26888635|KEGG:D08449|Wikipedia:Pseudoephedrine|CAS:90-82-4|Drug_Central:2326|Reaxys:2414132|CAS:90-82-4|PMID:27168748|PMID:16410207|PMID:11153535|PMID:27179610|PMID:15532139|KEGG:C02765|KNApSAcK:C00031097|PMID:17316256|PMID:26708626|PMID:16965375|MetaCyc:CPD-9954|LINCS:LSM-3885|Beilstein:2414132|HMDB:HMDB0001943|DrugBank:DB00852|PMID:16531903|PMID:12199969|PMID:26762956|CAS:90-82-4 chebi.json (1S,2S)-2-(methylamino)-1-phenylpropan-1-ol|(+)-Pseudoephedrine|(1S,2S)-Pseudoephedrine|Psi-ephedrine|Psi-ephedrin|pseudoephedrine|(+)-threo-Ephedrine|(+)-(1S,2S)-Pseudoephedrine|pseudoefedrina|d-psi-Ephedrine|(+) threo-2-(methylamino)-1-phenyl-1-propanol|d-psi-2-Methylamino-1-phenyl-1-propanol|psi-ephedrine|pseudoephedrinum|trans-Ephedrine|Isoephedrine|L-(+)-Pseudoephedrine|d-Pseudoephedrine|Pseudoephedrine|Pseudoephedrine D-form|(1S,2S)-(+)-Pseudoephedrine|(+)-psi-Ephedrine|L(+)-psi-Ephedrine|2-(Methylamino)-1-phenyl-1-propanol|d-Isoephedrine http://purl.obolibrary.org/obo/CHEBI_51209 3_STAR CHEBI:51202 biolink:ChemicalSubstance calix[4]arene Beilstein:4815829 chebi.json pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene http://purl.obolibrary.org/obo/CHEBI_51202 3_STAR CHEBI:51203 biolink:ChemicalSubstance oxacalixarene A macrocycle composed of 1,3-phenylene groups bridged by oxygen atoms. chebi.json oxacalixarenes http://purl.obolibrary.org/obo/CHEBI_51203 3_STAR CHEBI:26248 biolink:ChemicalSubstance prenyl group chebi.json 3-methylbut-2-en-1-yl|dimethylallyl|3-methyl-2-butenyl group|gamma,gamma-dimethylallyl http://purl.obolibrary.org/obo/CHEBI_26248 3_STAR CHEBI:51204 biolink:ChemicalSubstance oxacalix[4]arene Beilstein:1602072 chebi.json 2,8,14,20-tetraoxapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene http://purl.obolibrary.org/obo/CHEBI_51204 3_STAR CHEBI:26249 biolink:ChemicalSubstance prenyl groups chebi.json http://purl.obolibrary.org/obo/CHEBI_26249 1_STAR CHEBI:51205 biolink:ChemicalSubstance cyclopropene A cycloalkene that consists of cyclopropane having a double bond in the ring. The parent of the class of cyclopropenes. Wikipedia:Cyclopropene|Gmelin:259375|Beilstein:2035867|CAS:2781-85-3|CAS:2781-85-3|Reaxys:2035867 chebi.json cyclopropene|1-cyclopropene http://purl.obolibrary.org/obo/CHEBI_51205 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 chebi.json prenols http://purl.obolibrary.org/obo/CHEBI_26244 3_STAR CHEBI:26245 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26245 CHEBI:26241 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26241 CHEBI:51200 biolink:ChemicalSubstance substituted calixarene chebi.json substituted calixarenes http://purl.obolibrary.org/obo/CHEBI_51200 3_STAR CHEBI:51201 biolink:ChemicalSubstance 4,6,10,12,16,18,22,24,25,26,27,28-dodecamethylcalix[4]arene Beilstein:2550536 chebi.json 4,6,10,12,16,18,22,24,25,26,27,28-dodecamethylpentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene http://purl.obolibrary.org/obo/CHEBI_51201 3_STAR CHEBI:26257 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26257 CHEBI:26253 biolink:ChemicalSubstance polyprenylhydroquinone A hydroquinone compound having a polyprenyl substituent in an unspecified position. chebi.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). chebi.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:21777468|PMID:21844348|PMID:22371323|PMID:19928587|PMID:3985624 chebi.json polyprenylquinones|prenylquinones|polyprenylquinone http://purl.obolibrary.org/obo/CHEBI_26255 3_STAR CHEBI:26256 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26256 CHEBI:26250 biolink:ChemicalSubstance prenol phosphate chebi.json prenol phosphates http://purl.obolibrary.org/obo/CHEBI_26250 3_STAR CHEBI:26251 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26251 CHEBI:26252 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26252 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. chebi.json precorrins http://purl.obolibrary.org/obo/CHEBI_26228 3_STAR CHEBI:26229 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26229 CHEBI:9450 biolink:ChemicalSubstance terbutaline sulfate CAS:23031-32-5|KEGG:D00688 chebi.json Terbutaline sulfate|Brethine http://purl.obolibrary.org/obo/CHEBI_9450 2_STAR CHEBI:9451 biolink:ChemicalSubstance terconazole A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-terconazole. It has broad-spectrum antifungal activitiy and is used for the treatment of vaginal yeast infections (Candida). PMID:8023214|PMID:3520601|KEGG:C08080|CAS:67915-31-5|PMID:8987951|PMID:2680088|PMID:2099320|PMID:1941796|PMID:2277372|PMID:2677364|Reaxys:7471103|PMID:6834396|HMDB:HMDB0014396|PMID:3729366|PMID:2903397|Wikipedia:Terconazole|CAS:67915-31-5|PMID:2696620|PMID:4007621|PMID:3129389|PMID:2902415|PMID:2677365|KEGG:D00888|PMID:2677363|DrugBank:DB00251|PMID:6617296|PMID:2817662|PMID:2381618|PMID:20801303 chebi.json R-42,470|terconazol|terconazole|Terazol 3|rac-1-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine|cis-1-(p-{[2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)-4-isopropylpiperazine|R-42470|R 42,470|terconazolum|Terazol 7 http://purl.obolibrary.org/obo/CHEBI_9451 3_STAR CHEBI:26224 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26224 CHEBI:26225 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26225 CHEBI:26226 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26226 CHEBI:26227 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26227 CHEBI:26220 biolink:ChemicalSubstance precocenes chebi.json http://purl.obolibrary.org/obo/CHEBI_26220 1_STAR CHEBI:26221 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26221 CHEBI:26222 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26222 CHEBI:26223 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26223 CHEBI:9449 biolink:ChemicalSubstance terbutaline A member of the class of phenylethanolamines that is catechol substuted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group. PMID:22363704|Wikipedia:Terbutaline|CAS:23031-25-6|PMID:23299764|PMID:22988932|PMID:8298802|PMID:9596106|KEGG:D08570|PMID:21618259|Drug_Central:2598|DrugBank:DB00871|PMID:23283786|Reaxys:2370513|PMID:23075357|PMID:22310877|KEGG:C07129|PMID:23204625|PMID:23126237|Patent:WO2011112499|PMID:23341043|PMID:22782385|PMID:23325598|PMID:22872661|PMID:12423672|PMID:22765375|PMID:12569076|PMID:22767151|PMID:22813780|PMID:21996060|HMDB:HMDB0015009 chebi.json terbutaline|terbutalinum|terbutalina|5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol|terbutaline http://purl.obolibrary.org/obo/CHEBI_9449 3_STAR CHEBI:9445 biolink:ChemicalSubstance terazosin Beilstein:719452|Patent:DE2646186|LINCS:LSM-4997|Drug_Central:3584|Patent:DE2831112|CAS:63590-64-7|DrugBank:DB01162|KEGG:C07127|KEGG:D08569|Patent:US4251532|Patent:US4026894|Wikipedia:Terazosin chebi.json 6,7-dimethoxy-2-[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]quinazolin-4-amine|Terazosin|1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetrahydro-2-furanyl)carbonyl)piperazine|terazosine|Terazosine|terazosina|terazosinum|terazosin http://purl.obolibrary.org/obo/CHEBI_9445 3_STAR CHEBI:9446 biolink:ChemicalSubstance terazosin hydrochloride dihydrate Patent:DE2831112|KEGG:D00610|DrugBank:DB01162|CAS:70024-40-7|Patent:US4251532 chebi.json 1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(tetrahydro-2-furoyl)piperazine monohydrochloride dihydrate|6,7-dimethoxy-2-[4-(tetrahydrofuran-2-ylcarbonyl)piperazin-1-yl]quinazolin-4-amine hydrochloride dihydrate|Terazosin monohydrochloride dihydrate http://purl.obolibrary.org/obo/CHEBI_9446 3_STAR CHEBI:9447 biolink:ChemicalSubstance Terbacil KEGG:C10963|PPDB:620|CAS:5902-51-2 chebi.json Terbacil http://purl.obolibrary.org/obo/CHEBI_9447 2_STAR CHEBI:9448 biolink:ChemicalSubstance terbinafine A tertiary amine that is N-methyl-1-naphthalenemethylamine in which the amino hydrogen is replaced by a 3-(tertbutylethynyl)allyl group. An antifungal agent administered orally (generally as the hydrochloride salt) for the treatment of skin and nail infections. Wikipedia:Terbinafine|PMID:23841559|PMID:23802806|CAS:91161-71-6|PMID:23750489|PMID:24389279|PMID:23895037|PMID:24497012|Reaxys:4256376|PMID:24533442|MetaCyc:CPD-10571|PMID:24477462|PMID:24410098|KEGG:C08079|PMID:24447130|DrugBank:DB00857|PMID:24490976|HMDB:HMDB0014995|PMID:24581620|PMID:24452843|PMID:24352873|PMID:24126579|PMID:24563892|KEGG:D02375|PMID:24588014|PMID:24576265|Drug_Central:2597|CAS:91161-71-6 chebi.json terbinafine|terbinafina|(E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalene methanamine|terbinafinum|(E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethylamine|(2E)-N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine|terbinafine http://purl.obolibrary.org/obo/CHEBI_9448 3_STAR CHEBI:9441 biolink:ChemicalSubstance Tenulin KNApSAcK:C00003372|KEGG:C09557|CAS:19202-92-7 chebi.json Tenulin http://purl.obolibrary.org/obo/CHEBI_9441 2_STAR CHEBI:9442 biolink:ChemicalSubstance tephrosin A member of the class of rotenones that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted with geminal methyl groups at position 3, hydroxy group at position 7a and methoxy groups at positions 9 and 10 (the 7aR,13aR stereoisomer). It is isolated from the leaves and twigs of Antheroporum pierrei and exhibits antineoplastic and pesticidal activities. KEGG:C10535|KNApSAcK:C00002578|Reaxys:5661956|Wikipedia:Tephrosin|Patent:DE19707178|MetaCyc:CPD-12165|CAS:76-80-2|PMID:22237680|Patent:GB437171|LIPID_MAPS_instance:LMPK12060047|Patent:GB350897|CAS:76-80-2|PMID:22970736|PMID:21452840|PMID:17830264|PMID:22123175|PMID:21966156|PMID:20572190 chebi.json hydroxydeguelin|deguelinol I|(7aR,13aR)-13,13a-dihydro-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-3H-bis(1)benzopyrano(3,4-b:6',5'-e)pyran-7(7aH)-one|Tephrosin|(7aR,13aR)-7a-hydroxy-9,10-dimethoxy-3,3-dimethyl-13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one http://purl.obolibrary.org/obo/CHEBI_9442 3_STAR CHEBI:9443 biolink:ChemicalSubstance tephrowatsin A A hydroxyflavan that is (2S)-flavan substituted by hydroxy group at position 4, methoxy groups at positions 5 and 7 and a prenyl group at position 8 respectively. KEGG:C09970|Reaxys:6575448|LIPID_MAPS_instance:LMPK12020160|CAS:97640-79-4|KNApSAcK:C00001009 chebi.json (2S,4R)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-chromen-4-ol|(2S,4R)-5,7-dimethoxy-8-(3-methylbut-2-en-1-yl)-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-ol http://purl.obolibrary.org/obo/CHEBI_9443 3_STAR CHEBI:9444 biolink:ChemicalSubstance Teprotide CAS:35115-60-7|KEGG:C11712|KEGG:D06076 chebi.json Teprotide|pGlu-Trp-Pro-Arg-Pro-Gln-Ile-Pro-Pro http://purl.obolibrary.org/obo/CHEBI_9444 2_STAR CHEBI:9460 biolink:ChemicalSubstance testolactone KEGG:D00153|KEGG:C02197|Drug_Central:2606|CAS:968-93-4|Wikipedia:Testolactone|DrugBank:DB00894|Beilstein:36921|CAS:968-93-4 chebi.json (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-3,4,4a,5,6,10a,10b,11,12,12a-decahydro-2H-naphtho[2,1-f]chromene-2,8(4bH)-dione|Delta(1)-testololactone|Testolactone|1,2-didehydrotestololactone|D-homo-17a-oxaandrosta-1,4-diene-3,17-dione|1-dehydrotestololactone|3-oxo-13,17-secoandrosta-1,4-dieno-17,13alpha-lactone|13-hydroxy-3-oxo-13,17-secoandrosta-1,4-dien-17-oic acid delta-lactone|Teslac http://purl.obolibrary.org/obo/CHEBI_9460 3_STAR CHEBI:9461 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9461 CHEBI:9462 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9462 CHEBI:26231 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26231 CHEBI:26230 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26230 CHEBI:9456 biolink:ChemicalSubstance Terpenoid EA-I KEGG:C09198|CAS:92219-48-2|KNApSAcK:C00003490 chebi.json Excoecariatoxin|Simplexin, 22,23,24,25-tetradehydro-|Terpenoid EA-I http://purl.obolibrary.org/obo/CHEBI_9456 2_STAR CHEBI:9457 biolink:ChemicalSubstance terpinolene A p-menthadiene with double bonds at positions 1 and 4(8). PMID:23339024|PMID:22428252|HMDB:HMDB0036994|PMID:22740904|KNApSAcK:C00000861|PMID:22160253|Beilstein:1851203|CAS:586-62-9|KEGG:C06075|MetaCyc:CPD-4890|LIPID_MAPS_instance:LMPR0102090062|CAS:586-62-9|CAS:586-62-9|BPDB:2016|Reaxys:1851203 chebi.json Terpinolen|4-isopropylidene-1-methylcyclohexene|alpha-terpinolene|terpinolene|1-methyl-4-(propan-2-ylidene)cyclohexene|1,4(8)-p-menthadiene|1-methyl-4-(1-methylethylidene)cyclohexene|1-methyl-4-(1-methylethylidene)-1-cyclohexene|isoterpinene|Terpinolene|p-mentha-1,4(8)-diene http://purl.obolibrary.org/obo/CHEBI_9457 3_STAR CHEBI:9458 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9458 CHEBI:9459 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9459 CHEBI:9452 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9452 CHEBI:9453 biolink:ChemicalSubstance Terfenadine Drug_Central:2600|LINCS:LSM-1273|CAS:50679-08-8|KEGG:C07463|HMDB:HMDB0014486|KEGG:D00521 chebi.json racemic terfenadine|ternadin|seldane|Terfenadine http://purl.obolibrary.org/obo/CHEBI_9453 2_STAR CHEBI:9454 biolink:ChemicalSubstance Terminalin KEGG:C10242|KNApSAcK:C00002939|CAS:155144-63-1 chebi.json Terminalin|Gallagic acid http://purl.obolibrary.org/obo/CHEBI_9454 2_STAR CHEBI:9455 biolink:ChemicalSubstance Terminaline KEGG:C10825|CAS:15112-49-9|KNApSAcK:C00002266 chebi.json Terminaline http://purl.obolibrary.org/obo/CHEBI_9455 2_STAR CHEBI:26206 biolink:ChemicalSubstance polysialic acid Polymers of sialic acid and derivatives. The degree of polymerization is 8 to 200 Sia residues. chebi.json polysialic acids http://purl.obolibrary.org/obo/CHEBI_26206 3_STAR CHEBI:277343 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_277343 CHEBI:26207 biolink:ChemicalSubstance polyterpenoid A polymeric terpenoid having a C5n skeleton, where n is greater than 8. chebi.json polyterpenoids|politerpenoides 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:17891522|PMID:14977874|PMID:16380690 chebi.json polyunsaturated fatty acids|PUFA|PUFAs http://purl.obolibrary.org/obo/CHEBI_26208 3_STAR CHEBI:26209 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26209 CHEBI:26202 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26202 CHEBI:26203 biolink:ChemicalSubstance polyprenol triphosphate chebi.json polyprenol triphosphates http://purl.obolibrary.org/obo/CHEBI_26203 3_STAR CHEBI:26204 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26204 CHEBI:26205 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26205 CHEBI:26200 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26200 CHEBI:26201 biolink:ChemicalSubstance polyprenyl group chebi.json http://purl.obolibrary.org/obo/CHEBI_26201 1_STAR CHEBI:9427 biolink:ChemicalSubstance 2-methylanthraquinone An anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group. KEGG:C10405|CAS:84-54-8|KNApSAcK:C00002864|Reaxys:2050523|CAS:84-54-8|PMID:17804221|CAS:84-54-8|Beilstein:2050523|Gmelin:1607902 chebi.json 2-Methylanthraquinone|2-methylanthra-9,10-quinone|Tectoquinone|beta-methylanthraquinone|2-methyl-9,10-anthracenedione|2-methyl-9,10-anthraquinone http://purl.obolibrary.org/obo/CHEBI_9427 3_STAR CHEBI:9428 biolink:ChemicalSubstance tectoridin A glycosyloxyisoflavone that is tectorigenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. Reaxys:6991307|PMID:24252334|Wikipedia:Tectoridin|CAS:611-40-5|LIPID_MAPS_instance:LMPK12050372|KNApSAcK:C00002576|KEGG:C10533|CAS:611-40-5|PMID:25920391 chebi.json 5-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-7-yl beta-D-glucopyranoside|Shekanin http://purl.obolibrary.org/obo/CHEBI_9428 3_STAR CHEBI:9429 biolink:ChemicalSubstance tectorigenin A methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively. LIPID_MAPS_instance:LMPK12050385|KEGG:C10534|KNApSAcK:C00002577|PMID:24380276|CAS:548-77-6|PMID:23461431|Reaxys:305601|PMID:25480515|HMDB:HMDB0042024|Wikipedia:Tectorigenin|PMID:25856699|CAS:548-77-6 chebi.json 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one|5,7,4'-trihydroxy-6-methoxyisoflavone http://purl.obolibrary.org/obo/CHEBI_9429 3_STAR CHEBI:9423 biolink:ChemicalSubstance Technetium tc 99m sestamibi CAS:109581-73-9|KEGG:D01060 chebi.json Technetium tc 99m sestamibi http://purl.obolibrary.org/obo/CHEBI_9423 2_STAR CHEBI:9424 biolink:ChemicalSubstance Tecomine KNApSAcK:C00001983|KEGG:C09988|CAS:6878-83-7 chebi.json Tecomine http://purl.obolibrary.org/obo/CHEBI_9424 2_STAR CHEBI:9425 biolink:ChemicalSubstance Tecostanine KEGG:C09989|KNApSAcK:C00001984|CAS:708-18-9 chebi.json Tecostanine http://purl.obolibrary.org/obo/CHEBI_9425 2_STAR CHEBI:9426 biolink:ChemicalSubstance tectochrysin A monohydroxyflavone that is flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively. Reaxys:254083|CAS:520-28-5|Wikipedia:Techtochrysin|KEGG:C11621|PMID:23583435|KNApSAcK:C00003795|PMID:25083589|CAS:520-28-5|LIPID_MAPS_instance:LMPK12110190|PMID:24727421|CAS:520-28-5 chebi.json 5-hydroxy-7-methoxyflavone|5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one http://purl.obolibrary.org/obo/CHEBI_9426 3_STAR CHEBI:9420 biolink:ChemicalSubstance Taxodone CAS:19039-02-2|KNApSAcK:C00003489|KEGG:C09196 chebi.json Taxodone http://purl.obolibrary.org/obo/CHEBI_9420 2_STAR CHEBI:9421 biolink:ChemicalSubstance tazobactam A member of the class of penicillanic acids that is sulbactam in which one of the exocyclic methyl hydrogens is replaced by a 1,2,3-triazol-1-yl group; used (in the form of its sodium salt) in combination with ceftolozane sulfate for treatment of complicated intra-abdominal infections and complicated urinary tract infections. PMID:25098503|PDBeChem:TAZ|PMID:25662788|Reaxys:4787944|CAS:89786-04-9|KEGG:D00660|PMID:25512410|KEGG:C07771|DrugBank:DB01606|CAS:89786-04-9|PMID:25670823|PMID:25529765|Wikipedia:Tazobactam|PMID:25609660|LINCS:LSM-5323|Drug_Central:2572 chebi.json tazobactam|(2S,3S,5S)-3-methyl-7-oxo-3-(1H-1,2,3-triazol-1-ylmethyl)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide|(2S,3S,5R)-3-methyl-4,4,7-trioxo-3-[(1H-1,2,3-triazol-1-yl)methyl]-4lambda(6)-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid|tazobactamum http://purl.obolibrary.org/obo/CHEBI_9421 3_STAR CHEBI:9422 biolink:ChemicalSubstance tebufenpyrad PPDB:612|CAS:119168-77-3|KEGG:C11126|Beilstein:8636471|CAS:119168-77-3 chebi.json N-(4-tert-butylbenzyl)-4-chloro-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide|Pyranica|N-(4-t-butylbenzyl)-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide|1H-Pyrazole-5-carboxamide, 4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-|Tebufenpyrad|4-chloro-N-((4-(1,1-dimethylethyl)phenyl)methyl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide http://purl.obolibrary.org/obo/CHEBI_9422 3_STAR CHEBI:26217 biolink:ChemicalSubstance potassium molecular entity chebi.json potassium molecular entity|potassium molecular entities 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. chebi.json Kaliumsalz|potassium salts|Kaliumsalze http://purl.obolibrary.org/obo/CHEBI_26218 3_STAR CHEBI:26219 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26219 CHEBI:9440 biolink:ChemicalSubstance tenuazonic acid A member of the class of pyrrolidin-2-ones that is 5-(butan-2-yl)pyrrolidine-2,4-dione carrying an additional acetyl group at position 3. A mycotoxin produced by various plant pathogenic fungi. KNApSAcK:C00001554|PMID:23474405|PMID:19486420|PMID:28613901|PMID:27599910|PMID:27860113|PMID:27924529|Wikipedia:Tenuazonic_acid|AGR:IND500630941|PMID:22054343|PMID:27400452|PMID:28407940|PMID:27957687|PMID:26633086|MetaCyc:CPD-19688|PMID:23397093|CAS:27778-66-1|PMID:26503170|PMID:23230907|PMID:22906495|PMID:28672847|PMID:28126937|PMID:27452834|PMID:25240106|PMID:27865702|PMID:25292361|PMID:21370870|PMID:28324684|PMID:19941132|PMID:20026008|PMID:26371380|PMID:25520156|KEGG:C08511|PMID:23605978|PMID:27517345|PMID:23578482|PMID:25845360|PMID:26529482|AGR:IND44316516|Reaxys:8485|PMID:28489938 chebi.json Tenuazonic acid|(5S)-3-acetyl-5-[(2S)-butan-2-yl]pyrrolidine-2,4-dione|Pyrrole-2,4-diol, 3-acetyl-5-sec-butyl- http://purl.obolibrary.org/obo/CHEBI_9440 3_STAR CHEBI:26213 biolink:ChemicalSubstance porphyrinogen Beilstein:7545460 chebi.json 5,10,15,20,22,24-hexahydroporphyrin|calix[4]pyrrole|porphyrinogen http://purl.obolibrary.org/obo/CHEBI_26213 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 chebi.json porphyrins http://purl.obolibrary.org/obo/CHEBI_26214 3_STAR CHEBI:26215 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26215 CHEBI:26216 biolink:ChemicalSubstance potassium atom KEGG:C00238|WebElements:K|DrugBank:DB01345|CAS:7440-09-7 chebi.json potasio|K|potassium|Kalium|kalium|19K|potassium http://purl.obolibrary.org/obo/CHEBI_26216 3_STAR CHEBI:26210 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26210 CHEBI:26211 biolink:ChemicalSubstance poriferastane chebi.json poriferastane http://purl.obolibrary.org/obo/CHEBI_26211 3_STAR CHEBI:26212 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_26212 CHEBI:336019 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_336019 CHEBI:9438 biolink:ChemicalSubstance Templetine KEGG:C10786|CAS:54274-32-7|KNApSAcK:C00002237 chebi.json Templetine http://purl.obolibrary.org/obo/CHEBI_9438 2_STAR CHEBI:9439 biolink:ChemicalSubstance tentoxin KEGG:C08441|CAS:28540-82-1|KNApSAcK:C00001521|PDBeChem:TTX chebi.json Tentoxin|TENTOXIN http://purl.obolibrary.org/obo/CHEBI_9439 2_STAR CHEBI:9434 biolink:ChemicalSubstance telmisartan A member of the class of benzimidazoles used widely in the treatment of hypertension. PMID:24048485|Reaxys:6624054|DrugBank:DB00966|PMID:18360028|CAS:144701-48-4|HMDB:HMDB0015101|LINCS:LSM-3657|Beilstein:6624054|Drug_Central:2583|Patent:EP502314|KEGG:D00627|Wikipedia:Telmisartan|PMID:15498586|PMID:18008027|PMID:11558835|KEGG:C07710|CAS:144701-48-4 chebi.json 4'-((4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl)methyl)-2-biphenylcarboxylic acid|4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid|Telmisartan|4'-[(1,4'-dimethyl-2'propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carboxylic acid|4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid|telmisartan|4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl][1,1'-biphenyl]-2-carboxylic acid|BIBR 277|Micardis http://purl.obolibrary.org/obo/CHEBI_9434 3_STAR CHEBI:9435 biolink:ChemicalSubstance Temazepam KEGG:D00370|KEGG:C07125|Drug_Central:2585|CAS:846-50-4|HMDB:HMDB0014376 chebi.json Restoril (TN)|(RS)-Temazepam|Temazepam|levanxene|levanxol http://purl.obolibrary.org/obo/CHEBI_9435 2_STAR CHEBI:9436 biolink:ChemicalSubstance Temocaprilat HMDB:HMDB0061721|CAS:110221-53-9|KEGG:C11373 chebi.json Temocaprilat|RS 5139 http://purl.obolibrary.org/obo/CHEBI_9436 2_STAR CHEBI:9437 biolink:ChemicalSubstance temoporfin Drug_Central:2588|CAS:122341-38-2|Patent:EP337601|KEGG:C11730|KEGG:D06066|Patent:US4992257|CAS:122341-38-2 chebi.json 2,3-dihydro-5,10,15,20-tetra(m-hydroxyphenyl)porphyrin|Temoporfin|3,3',3'',3'''-(2,3-dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol|3,3',3'',3'''-(7,8-dihydroporphyrin-5,10,15,20-tetrayl)tetraphenol|meso-tetrahydroxyphenylchlorin|m-THPC|Foscan|3,3',3'',3'''-(7,8-dihydro-21H,23H-porphine-5,10,15,20-tetrayl)tetrakisphenol http://purl.obolibrary.org/obo/CHEBI_9437 3_STAR CHEBI:9430 biolink:ChemicalSubstance tefluthrin A racemate comprising equimolar amounts of (Z)-(1R)-cis-tefluthrin and (Z)-(1S)-cis-tefluthrin. AGR:IND91056138|PMID:19378468|AGR:IND92005017|AGR:IND20629205|KEGG:C10992|PMID:19026681|AGR:IND43923373|AGR:IND92005594|PMID:11890694|AGR:IND91056150|Wikipedia:Tefluthrin|PMID:22577241|PMID:21966053|AGR:IND91052119|CAS:79538-32-2|AGR:IND89019107|AGR:IND44012198|AGR:IND91052121|AGR:IND20629206|PMID:22465659|AGR:IND43962184|PMID:21983428|PMID:15980056|CAS:79538-32-2 chebi.json rac-2,3,5,6-tetrafluoro-4-methylbenzyl (1R,3R)-3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate|tefluthrine|Tefluthrin http://purl.obolibrary.org/obo/CHEBI_9430 3_STAR CHEBI:9431 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9431 CHEBI:9433 biolink:ChemicalSubstance Tellimagrandin I KEGG:C10241|KNApSAcK:C00002938|CAS:79786-08-6 chebi.json 1-Desgalloyleugeniin|Tellimagrandin I http://purl.obolibrary.org/obo/CHEBI_9433 2_STAR CHEBI:9492 biolink:ChemicalSubstance tetrahydrozoline hydrochloride The hydrochloride salt of tetryzoline. It is used as a nasal decongestant. PMID:14397923|PMID:29403723|PMID:13640997|PMID:26921897|KEGG:D01023|PMID:10683871|CAS:522-48-5|PMID:26547297|PMID:3793827|PMID:7175667|PMID:13295949|PMID:27123429|CAS:522-48-5|DrugBank:DBSALT001254|PMID:13339915|PMID:13294143|PMID:13345423|PMID:12387333|PMID:9757719|PMID:6480751 chebi.json 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole hydrochloride|2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline hydrochloride|tetrahydrozoline monohydrochloride|tyzanol hydrochloride|tetryzoline hydrochloride|Tyzine|Vasopos|Murine Plus|2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline monohydrochloride|Visine|tetryzoline HCl|tetrahydrozoline HCl|tetrahydrozoline hydrochloride http://purl.obolibrary.org/obo/CHEBI_9492 3_STAR CHEBI:145563 biolink:ChemicalSubstance exo-(+)-cinmethylin A 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane that is the exo-(+)-isomer of cinmethylin. CAS:87818-61-9|Patent:EP0081893|Patent:US4487945|Patent:EP3162209 chebi.json (+)-2-exo-(2-methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|cinmethylin exo-(+)-isomer|(1S,2R,4R)-1-methyl-2-[(2-methylphenyl)methoxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane|(1S,2R,4R)-1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane http://purl.obolibrary.org/obo/CHEBI_145563 3_STAR CHEBI:99129 biolink:ChemicalSubstance LSM-10508 LINCS:LSM-10508 chebi.json http://purl.obolibrary.org/obo/CHEBI_99129 2_STAR CHEBI:9493 biolink:ChemicalSubstance tetrahymanol A pentacyclic triterpenoid having a 3beta- (21alpha-) hydroxy-substituted gammacerane structure. KEGG:C06083|CAS:2130-17-8|CAS:2130-17-8|LIPID_MAPS_instance:LMPR0106210001 chebi.json tetrahymanol|gammaceran-3beta-ol|Tetrahymanol|gammaceran-21alpha-ol http://purl.obolibrary.org/obo/CHEBI_9493 3_STAR CHEBI:170520 biolink:ChemicalSubstance TG(14:1(9Z)/22:0/14:1(9Z)) Chemspider:30777852|HMDB:HMDB0047839 chebi.json 1,3-bis[[(Z)-tetradec-9-enoyl]oxy]propan-2-yl docosanoate http://purl.obolibrary.org/obo/CHEBI_170520 2_STAR CHEBI:145564 biolink:ChemicalSubstance exo-(-)-cinmethylin A 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane that is the exo-(-)-isomer of cinmethylin. CAS:87819-60-1|Patent:EP0081893|Patent:US4487945|Patent:EP3162209 chebi.json (-)-2-exo-(2-methylbenzyloxy)-1-methyl-4-isopropyl-7-oxabicyclo[2.2.1]heptane|(1R,2S,4S)-1-methyl-2-[(2-methylphenyl)methoxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane|(1R,2S,4S)-1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane|cinmethylin exo-(-)-isomer http://purl.obolibrary.org/obo/CHEBI_145564 3_STAR CHEBI:170521 biolink:ChemicalSubstance PE(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) Chemspider:24769271|HMDB:HMDB0011387|LIPID_MAPS_instance:LMGP02030056 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-1-enoxy]propan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170521 2_STAR CHEBI:9494 biolink:ChemicalSubstance tetramethylchloromethylrosamine KEGG:C11622 chebi.json Tetramethylrosamine|N-{9-[4-(chloromethyl)phenyl]-6-(dimethylamino)-3H-xanthen-3-ylidene}-N-methylmethanaminium http://purl.obolibrary.org/obo/CHEBI_9494 3_STAR CHEBI:145565 biolink:ChemicalSubstance macrolide lactam A macrolide in which the macrocyclic lactone ring includes an amide group. PMID:15248618|PMID:11678663|PMID:12227772|PMID:31226284|PMID:17378533 chebi.json macrolide lactams http://purl.obolibrary.org/obo/CHEBI_145565 3_STAR CHEBI:170522 biolink:ChemicalSubstance TG(22:0/14:1(9Z)/14:1(9Z)) HMDB:HMDB0046433|LIPID_MAPS_instance:LMGL03012835|Chemspider:59655712 chebi.json [(2S)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] docosanoate http://purl.obolibrary.org/obo/CHEBI_170522 2_STAR CHEBI:9495 biolink:ChemicalSubstance thiram An organic disulfide that results from the formal oxidative dimerisation of N,N-dimethyldithiocarbamic acid. It is widely used as a fungicidal seed treatment. PMID:3055654|PMID:3176026|CAS:137-26-8|KEGG:D06114|Reaxys:1725821|Drug_Central:3601|CAS:137-26-8|CAS:137-26-8|PPDB:642|PMID:1842585|PMID:14587840|Wikipedia:Thiram|PMID:20940038|KEGG:C11160|Pesticides:thiram chebi.json tetramethylthiuram disulfide|bis(dimethyl thiocarbamoyl)disulfide|thiram|N(1),N(1),N(3),N(3)-tetramethyl-2-dithioperoxy-1,3-dithiodicarbonic diamide|alpha,alpha'-dithiobis(dimethylthio)formamide|[disulfanediylbis(carbonothioylnitrilo)]tetramethane|bis((dimethylamino)carbonothioyl) disulfide|tetramethylenethiuram disulfide|Nomersan|[Me2NC(S)S]2|Tetramethyl-thiram disulfid|Tetramethylthioperoxydicarbonic diamide|tetrathiuram disulfide|N,N-tetramethylthiuram disulfide|TMTD|bis(dimethylthiocarbamoyl) disulfide|thiramum|Pomarsol|Arasan|Bis(dimethyl-thiocarbamoyl)-disulfid|Thiram|tetramethylthiurane disulfide|thirame|N,N'-(dithiodicarbonothioyl)bis(N-methylmethanamine)|tiramo|thiuram|Rezifilm|disulfure de tetramethylthiourame http://purl.obolibrary.org/obo/CHEBI_9495 3_STAR CHEBI:90790 biolink:ChemicalSubstance 18(R)-HETE(1-) A 18-HETE(1-) that is the conjugate base of 18(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:10791960 chebi.json (5Z,8Z,11Z,14Z,18R)-18-hydroxyicosa-5,8,11,14-tetraenoate|(18R)-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate|(18R)-hydroxyarachidonate|(5Z,8Z,11Z,14Z,18R)-18-hydroxyicosatetraenoate http://purl.obolibrary.org/obo/CHEBI_90790 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 chebi.json 9beta,13alpha-pimara-7,15-diene|syn-isopimara-7,15-diene http://purl.obolibrary.org/obo/CHEBI_145566 3_STAR CHEBI:170523 biolink:ChemicalSubstance PE(P-16:0/22:5(7Z,10Z,13Z,16Z,19Z)) Chemspider:24769246|HMDB:HMDB0011360 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170523 2_STAR CHEBI:145567 biolink:ChemicalSubstance dibunate A naphthalenemonosulfonate obtained by the deprotonation of the sulfonic acid group of dibunic acid. DrugBank:DB13796|Drug_Central:860|Wikipedia:Dibunate|CAS:14992-58-6 chebi.json dibunato|dibunate|dibunic acid(1-)|2,6-di-tert-butylnaphthalene-1-sulfonate|acide dibunique|2,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate|dibunas http://purl.obolibrary.org/obo/CHEBI_145567 3_STAR CHEBI:170524 biolink:ChemicalSubstance TG(20:0/16:1(9Z)/14:1(9Z)) Chemspider:59655027|LIPID_MAPS_instance:LMGL03014664|HMDB:HMDB0045688 chebi.json [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170524 2_STAR CHEBI:145568 biolink:ChemicalSubstance cilazapril monohydrate A hydrate that is the monohydrate of cilazapril. It is used for the treatment of hypertension and heart failure. PMID:1839765|DrugBank:DBSALT001097|KEGG:D01069|CAS:92077-78-6|PMID:1836986 chebi.json Inhibace|cilazapril hydrate|Justor|(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 hydrate|cilazapril.H2O|cilazapril|Ro 31-2848 monohydrate|(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--water (1/1) http://purl.obolibrary.org/obo/CHEBI_145568 3_STAR CHEBI:145569 biolink:ChemicalSubstance tetryzoline(1+) An imidazolium ion resulting from the protonation of the dihydro imidazole ring of tetryzoline. chebi.json 2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazol-3-ium http://purl.obolibrary.org/obo/CHEBI_145569 3_STAR CHEBI:170525 biolink:ChemicalSubstance PE(P-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) Chemspider:24769245|HMDB:HMDB0011359 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170525 2_STAR CHEBI:9490 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9490 CHEBI:170526 biolink:ChemicalSubstance PE(P-18:1(9Z)/20:4(8Z,11Z,14Z,17Z)) Chemspider:24769336|HMDB:HMDB0011452 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170526 2_STAR CHEBI:9491 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9491 CHEBI:170527 biolink:ChemicalSubstance TG(20:0/14:1(9Z)/16:1(9Z)) HMDB:HMDB0045663|Chemspider:59655004 chebi.json [(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] icosanoate http://purl.obolibrary.org/obo/CHEBI_170527 2_STAR CHEBI:170528 biolink:ChemicalSubstance PE(P-18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) Chemspider:24769335|HMDB:HMDB0011451 chebi.json [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170528 2_STAR CHEBI:170529 biolink:ChemicalSubstance TG(18:0/18:1(9Z)/14:1(9Z)) Chemspider:59654330|HMDB:HMDB0044942 chebi.json [(2S)-2-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170529 2_STAR CHEBI:145560 biolink:ChemicalSubstance MANT-GTP A mixture of 2'-O-(N-methylanthraniloyl)guanosine triphosphate (2'-MANT-GTP; R1 = N-methylanthraniloyl and R2 = H) and 3'-O-(N-methylanthraniloyl)gluanosine triphosphate ((3'-MANT-GTP; R1 = H and R2 = N-methylanthraniloyl). At neutral pH, the isomers are in equilibrium. Used as a fluorescent guanine nucleotide analogue, particularly for kinetic analysis of enzymes and signaling proteins. PMID:25991726|PMID:21058659|PMID:26848972|PMID:25712150|PMID:2185475|PMID:26122105|PMID:29023132|PMID:26247422 chebi.json 2'(3')-O-(N-methyl)anthraniloylguanosine 5'-triphosphate http://purl.obolibrary.org/obo/CHEBI_145560 3_STAR CHEBI:145561 biolink:ChemicalSubstance macrotetrolide A macropolylide which contains four ester linkages in one macrocyclic ring. PMID:12469350|PMID:9569622 chebi.json http://purl.obolibrary.org/obo/CHEBI_145561 3_STAR CHEBI:145562 biolink:ChemicalSubstance 1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane An oxabicycloalkane that is 1-methyl-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptan-2-ol in which the hydroxy group is substituted by a (2-methylphenyl)methoxy group. chebi.json 1-methyl-2-[(2-methylphenyl)methoxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane|1-methyl-2-[(2-methylbenzyl)oxy]-4-(propan-2-yl)-7-oxabicyclo[2.2.1]heptane http://purl.obolibrary.org/obo/CHEBI_145562 3_STAR CHEBI:51180 biolink:ChemicalSubstance organoberyllium compound A compound containing at least one carbon-beryllium bond. chebi.json organoberyllium compounds http://purl.obolibrary.org/obo/CHEBI_51180 3_STAR CHEBI:51181 biolink:ChemicalSubstance organocobalt compound A compound containing at least one carbon-cobalt bond. chebi.json organocobalt compounds http://purl.obolibrary.org/obo/CHEBI_51181 3_STAR CHEBI:51182 biolink:ChemicalSubstance organocopper compound A compound containing at least one carbon-copper bond. chebi.json organocopper compounds http://purl.obolibrary.org/obo/CHEBI_51182 3_STAR CHEBI:90799 biolink:ChemicalSubstance dipeptide zwitterion Any peptide zwitterion comprising two amino acid residues. Major structure at pH 7.3. chebi.json a dipeptide http://purl.obolibrary.org/obo/CHEBI_90799 3_STAR CHEBI:99120 biolink:ChemicalSubstance LSM-10499 LINCS:LSM-10499 chebi.json http://purl.obolibrary.org/obo/CHEBI_99120 2_STAR CHEBI:90795 biolink:ChemicalSubstance bacteriochlorophyllide a(2-) A cyclic tetrapyrrole anion that is obtained from bacteriochlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). MetaCyc:CPD-9066|PMID:26088139 chebi.json bacteriochlorophyllide a|{3-[(3S,4S,13R,14R)-9-acetyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-13,14-dihydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(4-)}magnesate(2-) http://purl.obolibrary.org/obo/CHEBI_90795 3_STAR CHEBI:99121 biolink:ChemicalSubstance (2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile LINCS:LSM-10500 chebi.json http://purl.obolibrary.org/obo/CHEBI_99121 2_STAR CHEBI:9489 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9489 CHEBI:51187 biolink:ChemicalSubstance organomagnesium compound A compound containing at least one carbon-magnesium bond. chebi.json organomagnesium compounds http://purl.obolibrary.org/obo/CHEBI_51187 3_STAR CHEBI:99122 biolink:ChemicalSubstance N-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-3-pyridinecarboxamide LINCS:LSM-10501 chebi.json http://purl.obolibrary.org/obo/CHEBI_99122 2_STAR CHEBI:90796 biolink:ChemicalSubstance D-erythrulose 4-phosphate(2-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-erythrulose 4-phosphate. Major structure at pH 7.3. PMID:26560079 chebi.json D-erythrulose 4-phosphate|(2R)-2,4-dihydroxy-3-oxobutyl phosphate http://purl.obolibrary.org/obo/CHEBI_90796 3_STAR CHEBI:51188 biolink:ChemicalSubstance organonickel compound A compound containing at least one carbon-nickel bond. chebi.json organonickel compounds http://purl.obolibrary.org/obo/CHEBI_51188 3_STAR CHEBI:99123 biolink:ChemicalSubstance 1-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-(phenylmethyl)-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea LINCS:LSM-10502 chebi.json http://purl.obolibrary.org/obo/CHEBI_99123 2_STAR CHEBI:90797 biolink:ChemicalSubstance 19-hydroxyprostaglandin H2(1-) A prostaglandin carboxylic acid anion that is the conjugate base of 19-hydroxyprostaglandin H2, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:10791960 chebi.json (5Z)-7-{(1R,4S,5R,6R)-6-[(1E,3S)-3,7-dihydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}hept-5-enoate|19-hydroxyprostaglandin H2 http://purl.obolibrary.org/obo/CHEBI_90797 3_STAR CHEBI:51189 biolink:ChemicalSubstance organopalladium compound A compound containing at least one carbon-palladium bond. chebi.json organopalladium compounds http://purl.obolibrary.org/obo/CHEBI_51189 3_STAR CHEBI:90798 biolink:ChemicalSubstance L-erythrulose 4-phosphate(2-) An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of L-erythrulose 4-phosphate. Major structure at pH 7.3. PMID:26560079 chebi.json L-erythrulose 4-phosphate|(2S)-2,4-dihydroxy-3-oxobutyl phosphate http://purl.obolibrary.org/obo/CHEBI_90798 3_STAR CHEBI:99124 biolink:ChemicalSubstance (3R,6aR,8S,10aR)-3-hydroxy-8-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]-N-propyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocine-1-carboxamide LINCS:LSM-10503 chebi.json http://purl.obolibrary.org/obo/CHEBI_99124 2_STAR CHEBI:90791 biolink:ChemicalSubstance 3-(1-hydroxyethyl)bacteriochlorophyllide a(2-) A cyclic tetrapyrrole anion that is obtained from 3-(1-hydroxyethyl)bacteriochlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). PMID:26088139|MetaCyc:CPD-9065 chebi.json 3-desacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a(2-)|{3-[(3S,4S,13R,14R)-14-ethyl-9-(1-hydroxyethyl)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-13,14-dihydrophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(4-)}magnesate(2-)|3-hydroxyethylbacteriochlorophyllide a(2-)|3-deacetyl-3-(1-hydroxyethyl)bacteriochlorophyllide a http://purl.obolibrary.org/obo/CHEBI_90791 3_STAR CHEBI:9485 biolink:ChemicalSubstance Tetrahydroharmine KEGG:C09243|CAS:17019-01-1|KNApSAcK:C00001774 chebi.json Tetrahydroharmine http://purl.obolibrary.org/obo/CHEBI_9485 2_STAR CHEBI:99125 biolink:ChemicalSubstance N-[2-[(2S,5S,6R)-5-[[(4-chloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide LINCS:LSM-10504 chebi.json http://purl.obolibrary.org/obo/CHEBI_99125 2_STAR CHEBI:51183 biolink:ChemicalSubstance organocadmium compound A compound containing at least one carbon-cadmium bond. chebi.json organocadmium compounds http://purl.obolibrary.org/obo/CHEBI_51183 3_STAR CHEBI:99126 biolink:ChemicalSubstance 2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[[oxo(propylamino)methyl]amino]-3,6-dihydro-2H-pyran-6-yl]-N-(2-phenylethyl)acetamide LINCS:LSM-10505 chebi.json http://purl.obolibrary.org/obo/CHEBI_99126 2_STAR CHEBI:51184 biolink:ChemicalSubstance organogold compound A compound containing at least one carbon-gold bond. chebi.json organogold compounds http://purl.obolibrary.org/obo/CHEBI_51184 3_STAR CHEBI:90792 biolink:ChemicalSubstance 3-(1-hydroxyethyl)chlorophyllide a(2-) A cyclic tetrapyrrole anion that is obtained from 3-(1-hydroxyethyl)chlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). MetaCyc:CPD-9064|PMID:26088139 chebi.json 3-hydroxyethylchlorophyllide a(2-)|3-devinyl-3-(1-hydroxyethyl)chlorophyllide a|{3-[(3S,4S)-14-ethyl-9-(1-hydroxyethyl)-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(4-)}magnesate(2-) http://purl.obolibrary.org/obo/CHEBI_90792 3_STAR CHEBI:9486 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9486 CHEBI:90793 biolink:ChemicalSubstance prostaglandin H1(1-) A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin H1, obtained by deprotonation of the carboxy group; major species at pH 7.3. PMID:10791960 chebi.json prostaglandin H1|7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoate http://purl.obolibrary.org/obo/CHEBI_90793 3_STAR CHEBI:99127 biolink:ChemicalSubstance LSM-10506 LINCS:LSM-10506 chebi.json http://purl.obolibrary.org/obo/CHEBI_99127 2_STAR CHEBI:9487 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9487 CHEBI:51185 biolink:ChemicalSubstance organoiron compound A compound containing at least one carbon-iron bond. chebi.json organoiron compounds http://purl.obolibrary.org/obo/CHEBI_51185 3_STAR CHEBI:90794 biolink:ChemicalSubstance 3-acetylchlorophyllide a(2-) A cyclic tetrapyrrole anion that is obtained from 3-acetylchlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). MetaCyc:CPD-18840|PMID:26088139 chebi.json 3-acetyl-3-devinylchlorophyllide a|3-devinyl-3-acetyl-chlorophyllide a|{3-[(3S,4S)-9-acetyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxophorbin-3-yl-kappa(4)N(23),N(24),N(25),N(26)]propanoato(4-)}magnesate(2-) http://purl.obolibrary.org/obo/CHEBI_90794 3_STAR CHEBI:99128 biolink:ChemicalSubstance N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3-oxanyl]-2-pyridinecarboxamide LINCS:LSM-10507 chebi.json http://purl.obolibrary.org/obo/CHEBI_99128 2_STAR CHEBI:51186 biolink:ChemicalSubstance organolithium compound A compound containing at least one carbon-lithium bond. chebi.json organolithium compounds http://purl.obolibrary.org/obo/CHEBI_51186 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 chebi.json labd-13Z-ene-9,15,16-triol|(2Z)-2-{2-[(1R,2R,4aS,8aS)-1-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]ethyl}but-2-ene-1,4-diol http://purl.obolibrary.org/obo/CHEBI_145552 3_STAR CHEBI:170530 biolink:ChemicalSubstance PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-16:0) HMDB:HMDB0009675|Chemspider:24769119 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-1-enoxy]propyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170530 2_STAR CHEBI:99118 biolink:ChemicalSubstance (2S,3S,3aR,9bR)-1-[(2-chlorophenyl)methyl]-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one LINCS:LSM-10497 chebi.json http://purl.obolibrary.org/obo/CHEBI_99118 2_STAR CHEBI:145553 biolink:ChemicalSubstance ethametsulfuron-methyl A methyl ester resulting from the formal condensation of the carboxy group of ethametsulfuron with methanol. A herbicide used for the control of broad-leaved weeds in oil seed rape and fodder rape. PMID:17713813|PMID:24221001|Reaxys:8165260|PMID:30585487|PMID:10898652|AGR:IND90053919|PMID:16667071|AGR:IND89043238|CAS:97780-06-8|Pesticides:derivatives/ethametsulfuron-methyl|PMID:20390926|AGR:IND90040005|PMID:26641347|AGR:IND43838423|PMID:26084086|PMID:15963798|PMID:10898653|PPDB:1146|PMID:17071910|PMID:12075921 chebi.json Muster|Salsa|methyl 2-[[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]benzoate|methyl 2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoate|ethametsulfuron methyl|methyl 2-[(4-ethoxy-6-methylamino-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate|DPX-A7881 http://purl.obolibrary.org/obo/CHEBI_145553 3_STAR CHEBI:99119 biolink:ChemicalSubstance 2-[(1S,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(3-fluorophenyl)methyl]acetamide LINCS:LSM-10498 chebi.json http://purl.obolibrary.org/obo/CHEBI_99119 2_STAR CHEBI:170531 biolink:ChemicalSubstance TG(18:0/18:1(11Z)/14:1(9Z)) Chemspider:59654305|HMDB:HMDB0044915 chebi.json [(2S)-2-[(Z)-octadec-11-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170531 2_STAR CHEBI:170532 biolink:ChemicalSubstance PE(22:5(4Z,7Z,10Z,13Z,16Z)/P-16:0) HMDB:HMDB0009642|Chemspider:24769086 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-1-enoxy]propyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170532 2_STAR CHEBI:145554 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_145554 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. chebi.json macropolylides http://purl.obolibrary.org/obo/CHEBI_145555 3_STAR CHEBI:170533 biolink:ChemicalSubstance TG(18:0/14:1(9Z)/18:1(9Z)) Chemspider:59654257|HMDB:HMDB0044864 chebi.json [(2S)-3-[(Z)-octadec-9-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170533 2_STAR CHEBI:170534 biolink:ChemicalSubstance PE(20:5(5Z,8Z,11Z,14Z,17Z)/P-18:0) HMDB:HMDB0009478|Chemspider:24768928 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-1-enoxy]propyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170534 2_STAR CHEBI:145556 biolink:ChemicalSubstance macrodiolide A macropolylide which contains two ester linkages in one macrocyclic ring. PMID:17446696|PMID:31247219|PMID:29624065|PMID:29671776 chebi.json macrodiolides http://purl.obolibrary.org/obo/CHEBI_145556 3_STAR CHEBI:170535 biolink:ChemicalSubstance TG(18:0/14:1(9Z)/18:1(11Z)) HMDB:HMDB0044863|Chemspider:59654256 chebi.json [(2S)-3-[(Z)-octadec-11-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] octadecanoate http://purl.obolibrary.org/obo/CHEBI_170535 2_STAR CHEBI:145557 biolink:ChemicalSubstance picloram-methyl A methyl ester resulting from the formal condensation of the carboxy group of picloram with methanol. Pesticides:/derivatives/picloram-methyl|CAS:14143-55-6|CAS:14143-55-6 chebi.json picloram methyl ester|methyl 4-amino-3,5,6-trichloropyridine-2-carboxylate|4-amino-3,5,6-trichloro-2-pyridinecarboxylic acid methyl ester|methyl 4-amino-3,5,6-trichloro-2-pyridinecarboxylate|4-amino-3,5,6-trichloropicolinic acid methyl ester|methyl 4-amino-3,5,6-trichloropicolinate http://purl.obolibrary.org/obo/CHEBI_145557 3_STAR CHEBI:145558 biolink:ChemicalSubstance 2,4-D choline A quaternary ammonium salt resulting from the reaction of 2,4-D with choline. It is a post-emergence herbicide used for selective control of broadleaf weeds. CAS:1048373-72-3|AGR:IND605922801|PMID:27768529|AGR:IND605950076|Pesticides:/derivatives/2,4-d-choline|PMID:28650629|AGR:IND606295315|AGR:IND605950017|AGR:IND606542277|Reaxys:18511959|PMID:31264502|AGR:IND605647260 chebi.json (2-hydroxyethyl)trimethylammonium (2,4-dichlorophenoxy)acetate|Enlist Duo|2-hydroxy-N,N,N-trimethylethan-1-aminium (2,4-dichlorophenoxy)acetate|2,4-D choline salt|2-hydroxy-N,N,N-trimethylethanaminium (2,4-dichlorophenoxy)acetate http://purl.obolibrary.org/obo/CHEBI_145558 3_STAR CHEBI:170536 biolink:ChemicalSubstance PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z)) HMDB:HMDB0009447|Chemspider:24768898 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170536 2_STAR CHEBI:170537 biolink:ChemicalSubstance TG(16:0/18:1(11Z)/16:1(9Z)) HMDB:HMDB0044087|Chemspider:59653539 chebi.json [(2S)-1-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170537 2_STAR CHEBI:145559 biolink:ChemicalSubstance macrotriolide A macropolylide which contains three ester linkages in one macrocyclic ring. chebi.json http://purl.obolibrary.org/obo/CHEBI_145559 3_STAR CHEBI:170538 biolink:ChemicalSubstance PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(11Z)) HMDB:HMDB0009446|Chemspider:24768897 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170538 2_STAR CHEBI:170539 biolink:ChemicalSubstance TG(16:0/16:1(9Z)/18:1(11Z)) HMDB:HMDB0044060|Chemspider:59653517 chebi.json [(2S)-3-hexadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (Z)-octadec-11-enoate http://purl.obolibrary.org/obo/CHEBI_170539 2_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|PMID:29315936|MetaCyc:CPD-20438|KNApSAcK:C00023322 chebi.json peregrinol|(1R,2R,4aS,8aS)-1-[(3E)-5-hydroxy-3-methylpent-3-en-1-yl]-2,5,5,8a-tetramethyldecahydronaphthalen-1-ol http://purl.obolibrary.org/obo/CHEBI_145550 3_STAR CHEBI:145551 biolink:ChemicalSubstance ethametsulfuron An N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a 4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl group, while the other has been substituted by a (2-carboxyphenyl)sulfonyl group. AGR:IND43718179|Reaxys:8797661|PMID:20574870|PMID:30136538|PMID:22375586|PMID:20116796|AGR:IND601309389|Pesticides:ethametsulfuron|CAS:111353-84-5 chebi.json 2-[[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]benzoic acid|2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid|1-[(2-carboxyphenyl)sulfonyl]-3-[4-(methylamino)-6-ethoxy-1,3,5-triazine-2-yl]urea http://purl.obolibrary.org/obo/CHEBI_145551 3_STAR CHEBI:51170 biolink:ChemicalSubstance tetrasilsesquioxane cage Gmelin:1125577 chebi.json tricyclo[3.3.1.1(3,7)]tetrasiloxane http://purl.obolibrary.org/obo/CHEBI_51170 3_STAR CHEBI:51171 biolink:ChemicalSubstance hexasilsesquioxane cage Gmelin:1128067 chebi.json tetracyclo[5.5.1.1(3,11).1(5,9)]hexasiloxane http://purl.obolibrary.org/obo/CHEBI_51171 3_STAR CHEBI:90789 biolink:ChemicalSubstance alpha-D-Manp-(1->3)-[alpha-D-Manp6P-(1->6)]-alpha-D-Manp-(1->6)-[alpha-D-Manp6P-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc-yl group A branched octasaccharide glucosaminyl group consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosaminyl residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched trisaccharide unit. PMID:26503547 chebi.json alpha-D-Man-(1->3)-[alpha-D-Man6P-(1->6)]-alpha-D-Man-(1->6)-[alpha-D-Man6P-(1->2)-alpha-D-Man-(1->3)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc-yl|alpha-D-mannopyranosyl-(1->3)-[6-O-phosphono-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)-[6-O-phosphono-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-D-glucopyranosyl|2(P)M6|alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl-(1->6)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl http://purl.obolibrary.org/obo/CHEBI_90789 3_STAR CHEBI:51176 biolink:ChemicalSubstance levopropoxyphene napsylate CAS:55557-30-7|KEGG:D04718 chebi.json Levopropoxyphene napsylate hydrate|(1R,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate naphtalene-2-sulfonic acid|Levopropoxyphene 2-naphthalenesulfonate hydrate http://purl.obolibrary.org/obo/CHEBI_51176 3_STAR CHEBI:90784 biolink:ChemicalSubstance aurachin B(1-) An organic cation that is the conjugate base of aurachin B, obtained by deprotonation of the 3-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). PMID:22907798|MetaCyc:CPD-15910 chebi.json aurachin B|2-methyl-1-oxo-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1lambda(5)-quinolin-3-olate http://purl.obolibrary.org/obo/CHEBI_90784 3_STAR CHEBI:99110 biolink:ChemicalSubstance N-[(2S,4aS,12aR)-5-methyl-6-oxo-2-[2-oxo-2-(propylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-1,3-benzodioxole-5-carboxamide LINCS:LSM-10489 chebi.json http://purl.obolibrary.org/obo/CHEBI_99110 2_STAR CHEBI:90785 biolink:ChemicalSubstance 4-hydroxy-2-methyl-3-oxo-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-1-oxide A member of the class of quinoline N-oxides that is 4-hydroxy-2-methyl-3-oxo-3,4-dihydroquinoline-1-oxide carrying an additional (2E,6E)-farnesyl group at position 4. PMID:22907798|MetaCyc:CPD-18733 chebi.json 4-hydroxy-2-methyl-1-oxo-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-1lambda(5)-quinolin-3(4H)-one|4-hydroxy-2-methyl-3-oxo-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide|4-hydroxy-2-methyl-3-oxo-4-farnesyl-3,4-dihydroquinoline-1-oxide http://purl.obolibrary.org/obo/CHEBI_90785 3_STAR CHEBI:51177 biolink:ChemicalSubstance antitussive An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. chebi.json cough suppressants|anti-tussive|cough suppressant http://purl.obolibrary.org/obo/CHEBI_51177 3_STAR CHEBI:99111 biolink:ChemicalSubstance 2-[(2R,4aS,12aS)-8-(ethylsulfonylamino)-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]acetamide LINCS:LSM-10490 chebi.json http://purl.obolibrary.org/obo/CHEBI_99111 2_STAR CHEBI:99112 biolink:ChemicalSubstance N-[(2R,3R)-4-[[(2S)-1-hydroxypropan-2-yl]-(4-methylphenyl)sulfonylamino]-2-methoxy-3-methylbutyl]-N-methyl-2-pyrazinecarboxamide LINCS:LSM-10491 chebi.json http://purl.obolibrary.org/obo/CHEBI_99112 2_STAR CHEBI:90786 biolink:ChemicalSubstance 2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline-3,4-diol A member of the class of quinoline N-oxides that is 2-methyl-1-oxo-4-3,4-dihydroquinoline-3,4-diol carrying an additional (2E,6E)-farnesyl group at position 4. PMID:22907798|MetaCyc:CPD-18736 chebi.json 2-methyl-1-oxo-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-3,4-dihydro-1lambda(5)-quinoline-3,4-diol|3,4-dihydroxy-2-methyl-1-oxo-4-[(2E,6E)-farnesyl]-3,4-dihydroquinoline 1-oxide|3,4-dihydroxy-2-methyl-4-farnesyl-3H-quinolin-1-ium-1-olate|4-farnesyl-2-methyl-1-oxo-3,4-dihydroquinoline-3,4-diol http://purl.obolibrary.org/obo/CHEBI_90786 3_STAR CHEBI:51178 biolink:ChemicalSubstance levopropoxyphene hydrochloride CAS:1596-70-9 chebi.json L-Propoxyphene hydrochloride|(1R,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate hydrochloride|Levopropoxyphene HCl http://purl.obolibrary.org/obo/CHEBI_51178 3_STAR CHEBI:51179 biolink:ChemicalSubstance dextropropoxyphene napsylate KEGG:D05632|CAS:26570-10-5 chebi.json d-Propoxyphene napsylate hydrate|d-4-Dimethylamino-3-methyl-1,2-diphenyl-2-propionoxybutanenaphthalene-2-sulphonate hydrate|Propoxyphene 2-naphthalenesulfonate, d-, monohydrate|(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate naphtalene-2-sulfonic acid|Propoxyphene napsylate, d-, monohydrate http://purl.obolibrary.org/obo/CHEBI_51179 3_STAR CHEBI:90787 biolink:ChemicalSubstance alpha-D-Manp-(1->3)-[alpha-D-Manp6P-(1->6)]-alpha-D-Manp-(1->6)-[alpha-D-Manp6P-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc An oligosaccharide phosphate consisting of a linear chain of beta-D-mannose, N-acetyl-beta-D-glucosamine and N-acetyl-D-glucosamine residues all linked (1->4), to the mannose residue of which are also linked (1->3) and (1->6) respectively a 6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl disaccharide unit and an alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl branched trisaccharide unit. PMID:26503547 chebi.json alpha-D-mannopyranosyl-(1->3)-[6-O-phosphono-alpha-D-mannopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->6)-[6-O-phosphono-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-D-glucopyranose|alpha-D-mannosyl-(1->3)-[6-O-phosphono-alpha-D-mannosyl-(1->6)]-alpha-D-mannosyl-(1->6)-[6-O-phosphono-alpha-D-mannosyl-(1->2)-alpha-D-mannosyl-(1->3)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine|alpha-D-Man-(1->3)-[alpha-D-Man6P-(1->6)]-alpha-D-Man-(1->6)-[alpha-D-Man6P-(1->2)-alpha-D-Man-(1->3)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc http://purl.obolibrary.org/obo/CHEBI_90787 3_STAR CHEBI:99113 biolink:ChemicalSubstance (3R)-2-[(R)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-(3-methoxyphenyl)phenyl]-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide LINCS:LSM-10492 chebi.json http://purl.obolibrary.org/obo/CHEBI_99113 2_STAR CHEBI:90780 biolink:ChemicalSubstance AKT1 kinase inhibitor A serine/threonine kinase inhibitor that specifically inhibits RAC-alpha serine/threonine-protein kinase (ATK1). Wikipedia:AKT1 chebi.json RAC-alpha serine/threonine-protein kinase inhibitors|RAC-alpha serine/threonine-protein kinase inhibitor|AKT1 kinase inhibitors http://purl.obolibrary.org/obo/CHEBI_90780 3_STAR CHEBI:51172 biolink:ChemicalSubstance decasilsesquioxane cage A silsesquioxane cage consisting of two ten-membered rings of alternating silicon and oxygen atoms, with each silicon atom in one ring joined to a silicon in the second ring by a bridging oxygen atom and with a hydrogen atom attached to all ten silicon atoms. Gmelin:513673|Reaxys:16271168 chebi.json hexacyclo[9.9.1.1(3,9).1(5,17).1(7,15).1(13,19)]decasiloxane|hydridospherosiloxane http://purl.obolibrary.org/obo/CHEBI_51172 3_STAR CHEBI:9496 biolink:ChemicalSubstance Tetramisole hydrochloride VSDB:3150|CAS:5086-74-8|KEGG:C11337|KEGG:D06091 chebi.json Tetramisole hydrochloride http://purl.obolibrary.org/obo/CHEBI_9496 2_STAR CHEBI:99114 biolink:ChemicalSubstance 2-[(2R,4aR,12aS)-8-[(2-fluorophenyl)sulfonylamino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)acetamide LINCS:LSM-10493 chebi.json http://purl.obolibrary.org/obo/CHEBI_99114 2_STAR CHEBI:51173 biolink:ChemicalSubstance dextropropoxyphene The (1S,2R)-(+)-diastereoisomer of propoxyphene. Wikipedia:Propoxyphene|HMDB:HMDB0014785|KEGG:C07406|CAS:469-62-5|Beilstein:3219810|Reaxys:5605276|PMID:17122535|KEGG:D07809|Drug_Central:844|PMID:23200698|PMID:19874162|Beilstein:5605276|CAS:469-62-5|DrugBank:DB00647 chebi.json Destropropossifene|(1S,2R)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate|Dextroproxifeno|d-Propoxyphene|dextropropoxifeno|dextropropoxyphene|Dextropropoxyphen|alpha-D-4-Dimethylamino-3-methyl-1,2-diphenyl-2-butanol-propionat|alpha-(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-butanol propionate ester|dextropropoxyphene|dextropropoxyphenum|(S)-alpha-(2-(Dimethylamino)-1-methylethyl)-alpha-phenylbenzeneethanol propanoate|(+)-1,2-Diphenyl-2-propionoxy-3-methyl-4-dimethylaminobutane|4-Dimethylamino-3-methyl-1,2-diphenyl-2-propoxybutane|(+)-4-Dimethylamino-1,2-diphenyl-3-methyl-2-propionyloxybutane http://purl.obolibrary.org/obo/CHEBI_51173 3_STAR CHEBI:90781 biolink:ChemicalSubstance 13-oxo-9Z,11E-ODE(1-) A polyunsaturated fatty acid anion that is the conjugate base of 13-oxo-9Z,11E-ODE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. PMID:21068195 chebi.json 13-oxo-(9Z,11E)-octadecadienoate|(9Z,11E)-13-oxooctadeca-9,11-dienoate|(9Z,11E)-13-oxooctadecadienoate|(Z,E)-13-oxooctadeca-9,11-dienoate http://purl.obolibrary.org/obo/CHEBI_90781 3_STAR CHEBI:99115 biolink:ChemicalSubstance LSM-10494 LINCS:LSM-10494 chebi.json http://purl.obolibrary.org/obo/CHEBI_99115 2_STAR CHEBI:9497 biolink:ChemicalSubstance Tetranactin CAS:33956-61-5|KEGG:C06764|KNApSAcK:C00018809 chebi.json Tetranactin http://purl.obolibrary.org/obo/CHEBI_9497 2_STAR CHEBI:9498 biolink:ChemicalSubstance Tetraneurin A CAS:22621-72-3|KNApSAcK:C00003373|KEGG:C09559 chebi.json Tetraneurin A http://purl.obolibrary.org/obo/CHEBI_9498 2_STAR CHEBI:90782 biolink:ChemicalSubstance C-terminal proteinogenic amino-acid residue(1-) An alpha-amino-acid residue anion obtained by deprotonation of the carboxy group of any C-terminal proteinogenic amino acid. chebi.json C-terminal proteinogenic amino-acid residue http://purl.obolibrary.org/obo/CHEBI_90782 3_STAR CHEBI:99116 biolink:ChemicalSubstance 2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methylphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]-N-[2-(1-piperidinyl)ethyl]acetamide LINCS:LSM-10495 chebi.json http://purl.obolibrary.org/obo/CHEBI_99116 2_STAR CHEBI:51174 biolink:ChemicalSubstance levopropoxyphene Drug_Central:1573|CAS:2338-37-6|Beilstein:3219811 chebi.json Levopropossifene|levopropoxifeno|(-)-4-(Dimethylamino)-3-methyl-1,2-diphenyl-2-(propionyloxy)butane|l-Propoxyphene|(1R,2S)-1-benzyl-3-(dimethylamino)-2-methyl-1-phenylpropyl propanoate|levopropoxyphenum|(R)-alpha-(2-(Dimethylamino)-1-methylethyl)-alpha-phenylbenzeneethanol propanoate|(-)-Propoxyphene|levopropoxyphene http://purl.obolibrary.org/obo/CHEBI_51174 3_STAR CHEBI:90783 biolink:ChemicalSubstance C-terminal S-(Gly-Gly)-L-Cys zwitterion residue A zwitterionic group obtained by transfer of a proton from the carboxy to the amino group of C-terminal S-(Gly-Gly)-L-Cys residue; major species at pH 7.3. PMID:16104727 chebi.json C-terminal Gly-NH-CH(2)-C(O)S-L-Cys http://purl.obolibrary.org/obo/CHEBI_90783 3_STAR CHEBI:9499 biolink:ChemicalSubstance tetraneurin E A sesquiterpene lactone that is a (3aS,9bS)-3-methylidenedecahydroazuleno[4,5-b]furan-2(3H)-one heterotricyclic ring system with a hydroxymethyl, hydroxy, acetate, and methyl group substituents at positions 6, 6a, 9, and 9a respectively. KNApSAcK:C00003374|CAS:25383-30-6|Reaxys:1352454|KEGG:C09560|PMID:10883729 chebi.json Ambrosanolide|(3aS,6R,6aR,9S,9aS,9bR)-6a-hydroxy-6-(hydroxymethyl)-9a-methyl-3-methylidene-2-oxododecahydroazuleno[4,5-b]furan-9-yl acetate http://purl.obolibrary.org/obo/CHEBI_9499 3_STAR CHEBI:99117 biolink:ChemicalSubstance 1-[(4R,7R,8R)-5-[cyclobutyl(oxo)methyl]-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-3-propan-2-ylurea LINCS:LSM-10496 chebi.json http://purl.obolibrary.org/obo/CHEBI_99117 2_STAR CHEBI:51175 biolink:ChemicalSubstance organoaluminium compound A compound containing at least one carbon-aluminium bond. chebi.json organoaluminium compounds|organoaluminum compound http://purl.obolibrary.org/obo/CHEBI_51175 3_STAR CHEBI:145541 biolink:ChemicalSubstance adenosine 3'-diphosphate,5'-phosphate(5-) Major species at pH 7.3. PMID:31695193 chebi.json adenosine 3'-diphosphate,5'-phosphate|pApp http://purl.obolibrary.org/obo/CHEBI_145541 2_STAR CHEBI:9470 biolink:ChemicalSubstance tetracenomycin C CAS:71135-22-3|CAS:71135-22-3|KEGG:C06801|Beilstein:4774234 chebi.json methyl (6aR,7S,10aR)-6a,7,10a,12-tetrahydroxy-3,8-dimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate|Tetracenomycin C|tetracenomycin C http://purl.obolibrary.org/obo/CHEBI_9470 3_STAR CHEBI:170541 biolink:ChemicalSubstance TG(16:0/14:1(9Z)/20:1(11Z)) HMDB:HMDB0044034|Chemspider:59653495 chebi.json [(2S)-3-hexadecanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170541 2_STAR CHEBI:145542 biolink:ChemicalSubstance 7-N-[(5S)-5-amino-5-carboxypentyl]formamidino-7-deazaguanosine 5'-monophosphate zwitterion residue Major species at pH 7.3 PMID:31740832 chebi.json 7-N-[(5S)-5-amino-5-carboxypentyl]formamidino-7-deazaguanosine 5'-monophosphate residue http://purl.obolibrary.org/obo/CHEBI_145542 2_STAR CHEBI:170542 biolink:ChemicalSubstance TG(16:0/18:2(9Z,12Z)/16:0) HMDB:HMDB0044249|Chemspider:23255769 chebi.json 1,3-di(hexadecanoyloxy)propan-2-yl (9Z,12Z)-octadeca-9,12-dienoate http://purl.obolibrary.org/obo/CHEBI_170542 2_STAR CHEBI:9471 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9471 CHEBI:145543 biolink:ChemicalSubstance viteagnusin D A labdane diterpenoid resulting from the formal allylic rearrangement of the allylic hydroxy group of peregrinol. PMID:29315936|KNApSAcK:C00032497|CAS:1123613-64-8 chebi.json viteagnusin D|(1R,2R,4aS,8aS)-1-(3-hydroxy-3-methylpent-4-en-1-yl)-2,5,5,8a-tetramethyldecahydronaphthalen-1-ol|(+)-vkiteagnusin D http://purl.obolibrary.org/obo/CHEBI_145543 3_STAR CHEBI:170543 biolink:ChemicalSubstance PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(11Z)) Chemspider:24768864|HMDB:HMDB0009413 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170543 2_STAR CHEBI:9472 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9472 CHEBI:145544 biolink:ChemicalSubstance S-nitrosoglutathione(1-) chebi.json (2S)-2-ammonio-5-{[(2S)-1-[(carboxylatomethyl)amino]-3-(nitrosothio)-1-oxopropan-2-yl]amino}-5-oxopentanoate|S-nitrosoglutathione http://purl.obolibrary.org/obo/CHEBI_145544 2_STAR CHEBI:170544 biolink:ChemicalSubstance PE(22:5(7Z,10Z,13Z,16Z,19Z)/16:0) Chemspider:24769093|HMDB:HMDB0009649 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170544 2_STAR CHEBI:9473 biolink:ChemicalSubstance tetrachlorosalicylanilide A salicylanilide derivative where the hydrogens at positions 2, 3, 4 and 5 are substituted by chlorine. PMID:7089070|PMID:1148111|PMID:3432140|PMID:4870835|PMID:13926142|PMID:2679409|CAS:7426-07-5|PMID:14161221|PMID:6049391|PMID:5708356|KEGG:C11274|CAS:7426-07-5 chebi.json Tetrachlorosalicylanilide|2,3,4,5-tetrachloro-6-hydroxy-N-phenylbenzamide http://purl.obolibrary.org/obo/CHEBI_9473 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. chebi.json SNO compound|nitrosothio compounds|S-nitrosothiol compound|S-nitrosothiols http://purl.obolibrary.org/obo/CHEBI_145545 2_STAR CHEBI:51169 biolink:ChemicalSubstance octasilsesquioxane cage Gmelin:409771 chebi.json pentacyclo[9.5.1.1(3,9).1(5,15).1(7,13)]octasiloxane http://purl.obolibrary.org/obo/CHEBI_51169 3_STAR CHEBI:170545 biolink:ChemicalSubstance TG(16:0/20:1(11Z)/14:1(9Z)) Chemspider:59653586|HMDB:HMDB0044142 chebi.json [(2S)-1-hexadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170545 2_STAR CHEBI:145546 biolink:ChemicalSubstance S-nitroso-coenzyme A(4-) A S-nitrosothiol derivative of coenzyme A; major species at pH 7.3. PMID:31649033 chebi.json S-nitroso-CoA http://purl.obolibrary.org/obo/CHEBI_145546 2_STAR CHEBI:170546 biolink:ChemicalSubstance TG(16:0/18:1(9Z)/16:1(9Z)) HMDB:HMDB0044115|Chemspider:59653564 chebi.json [(2S)-1-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170546 2_STAR CHEBI:145547 biolink:ChemicalSubstance sulfinamide glutathione(1-) A sulfinamide glutathione peptide anion; major species at pH 7.3. PMID:31649033 chebi.json sulfinamide glutathione|sulfinamide GSH(1-) http://purl.obolibrary.org/obo/CHEBI_145547 2_STAR CHEBI:170547 biolink:ChemicalSubstance PE(22:5(4Z,7Z,10Z,13Z,16Z)/16:0) Chemspider:24769060|HMDB:HMDB0009616 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate http://purl.obolibrary.org/obo/CHEBI_170547 2_STAR CHEBI:170548 biolink:ChemicalSubstance TG(16:0/14:0/20:2n6) Chemspider:59653333|HMDB:HMDB0043844 chebi.json [(2S)-3-hexadecanoyloxy-2-tetradecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170548 2_STAR CHEBI:145548 biolink:ChemicalSubstance sulfinamide-coenzyme A(4-) A sulfinamide derivative of coenzyme A; major species at pH 7.3. PMID:31649033 chebi.json sulfinamide-CoA(4-)|sulfinamide-CoA http://purl.obolibrary.org/obo/CHEBI_145548 2_STAR CHEBI:170549 biolink:ChemicalSubstance PE(22:4(7Z,10Z,13Z,16Z)/16:1(9Z)) LIPID_MAPS_instance:LMGP02011109|Chemspider:24769028|HMDB:HMDB0009584 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170549 2_STAR CHEBI:145540 biolink:ChemicalSubstance adenosine 3'-diphosphate,5'-triphosphate(6-) Major species at pH 7.3. PMID:31695193 chebi.json adenosine 3'-diphosphate,5'-triphosphate|pppApp http://purl.obolibrary.org/obo/CHEBI_145540 2_STAR CHEBI:51160 biolink:ChemicalSubstance carbonyl ylide A 1,3-dipolar compound having the structure: R2C=O(+)-C(-)R2 <-> R2C(+)-O-C(-)R2. chebi.json carbonyl ylides|iluros de carbonilo|iluro de carbonilo|ylure de carbonyle http://purl.obolibrary.org/obo/CHEBI_51160 3_STAR CHEBI:99140 biolink:ChemicalSubstance (4S,7S,8S)-8-methoxy-4,7,10-trimethyl-14-[(4-methylphenyl)sulfonylamino]-11-oxo-N-propan-2-yl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide LINCS:LSM-10519 chebi.json http://purl.obolibrary.org/obo/CHEBI_99140 2_STAR CHEBI:99141 biolink:ChemicalSubstance N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide LINCS:LSM-10520 chebi.json http://purl.obolibrary.org/obo/CHEBI_99141 2_STAR CHEBI:99142 biolink:ChemicalSubstance (5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-N-propyl-14-(2,2,2-trifluoroethylsulfonylamino)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-8-carboxamide LINCS:LSM-10521 chebi.json http://purl.obolibrary.org/obo/CHEBI_99142 2_STAR CHEBI:9467 biolink:ChemicalSubstance tetrabenazine A racemate consisting of equal amounts of (3R,11bR)- and (3S,11bS)-9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one. An adrenergic uptake inhibitor, it was formerly used as an antipsychotic, but it is now used mainly for the treatment of various movement disorders including chorea, ballism, dystonias, and tardive dyskinesia. KEGG:C11168|PMID:20442355|PMID:10686169|KEGG:D08575|PMID:20869622|DrugBank:DB04844|Reaxys:9356999|CAS:58-46-8|PMID:19929707|Wikipedia:Tetrabenazine|PMID:9040721|PMID:21487088|CAS:58-46-8|CAS:58-46-8|Patent:US2830993 chebi.json Tetrabenazine|1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo(a)quinolizin-2-one|2-oxo-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H-benzoquinolizine|tetrabenazine|tetrabenazina|Nitoman|TBZ|1,2,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one|Ro 1-9569|tetrabenazinum|rac-(3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one|Xenazine http://purl.obolibrary.org/obo/CHEBI_9467 3_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 chebi.json labd-13(16),14-diene-9-ol|(1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-(3-methylenepent-4-en-1-yl)decahydronaphthalen-1-ol http://purl.obolibrary.org/obo/CHEBI_145549 3_STAR CHEBI:51165 biolink:ChemicalSubstance carbonyl oxide A 1,3-dipolar compound having the structure: R2C(-)-O(+)=O <-> R2C=O(+)-O(-). chebi.json compose peroxo|carbonyl oxides|peroxo compounds|compuestos peroxo|oxydes de carbonyle|oxidos de carbonilo|oxyde de carbonyle http://purl.obolibrary.org/obo/CHEBI_51165 3_STAR CHEBI:99143 biolink:ChemicalSubstance N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-2-pyrazinecarboxamide LINCS:LSM-10522 chebi.json http://purl.obolibrary.org/obo/CHEBI_99143 2_STAR CHEBI:99144 biolink:ChemicalSubstance LSM-10523 LINCS:LSM-10523 chebi.json http://purl.obolibrary.org/obo/CHEBI_99144 2_STAR CHEBI:9468 biolink:ChemicalSubstance tetracaine A benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia. Wikipedia:Tetracaine|KEGG:D00551|LINCS:LSM-4633|Drug_Central:2610|Patent:US1889645|Beilstein:2216051|PMID:9989796|KEGG:C07526|CAS:94-24-6|CAS:94-24-6|PMID:25119673|PMID:7567006|Reaxys:2216051|PMID:7574001 chebi.json tetracaine|Amethocaine|Diaethylaminoaethanol ester der p-butylaminobenzoesaeure|p-Butylaminobenzoyl-2-dimethylaminoethanol|tetracaine|tetracaina|p-(butylamino)benzoic acid beta-(dimethylamino)ethyl ester|2-(Dimethylamino)ethyl p-(butylamino)benzoate|Amethocaine|tetracainum|2-(dimethylamino)ethyl 4-(butylamino)benzoate http://purl.obolibrary.org/obo/CHEBI_9468 3_STAR CHEBI:51166 biolink:ChemicalSubstance Wittig reagent A role played by a phosphonium ylide in a Wittig reaction. chebi.json reactivos de Wittig|reactivo de Wittig|Wittig reagents|reactif de Wittig http://purl.obolibrary.org/obo/CHEBI_51166 3_STAR CHEBI:9469 biolink:ChemicalSubstance Tetracaine hydrochloride KEGG:D00741|CAS:136-47-0 chebi.json Tetracaine hydrochloride|Protocaine (TN) http://purl.obolibrary.org/obo/CHEBI_9469 2_STAR CHEBI:566263 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_566263 CHEBI:99145 biolink:ChemicalSubstance LSM-10524 LINCS:LSM-10524 chebi.json http://purl.obolibrary.org/obo/CHEBI_99145 2_STAR CHEBI:51167 biolink:ChemicalSubstance polysilsesquioxane macromolecule A macromolecule molecule with a silsesquioxane repeating unit. chebi.json polysilsesquioxane|polysilsesquioxanes http://purl.obolibrary.org/obo/CHEBI_51167 3_STAR CHEBI:99146 biolink:ChemicalSubstance 2-[(2S,5S,6R)-5-acetamido-6-(hydroxymethyl)-2-oxanyl]-N-[(3-methoxyphenyl)methyl]acetamide LINCS:LSM-10525 chebi.json http://purl.obolibrary.org/obo/CHEBI_99146 2_STAR CHEBI:51168 biolink:ChemicalSubstance silsesquioxane cage A silsesquioxane that is a polycyclic cage of empirical formula [HSiO1.5]n. chebi.json silsesquioxane cages http://purl.obolibrary.org/obo/CHEBI_51168 3_STAR CHEBI:9463 biolink:ChemicalSubstance testosterone cypionate Beilstein:3174363|Drug_Central:4454|DrugBank:DB00624|CAS:58-20-8|KEGG:C08156|CAS:58-20-8|LIPID_MAPS_instance:LMST02020074|KEGG:D00957 chebi.json Testosterone cyclopentylpropionate|testosterone 17beta-cyclopentylpropionate|Testosterone cypionate|testosterone 17beta-cypionate|Testosterone cyclopentanepropionate|3-oxoandrost-4-en-17beta-yl 3-cyclopentylpropanoate|testosterone 17beta-cyclopentanepropionate http://purl.obolibrary.org/obo/CHEBI_9463 3_STAR CHEBI:99147 biolink:ChemicalSubstance 2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclopentylacetamide LINCS:LSM-10526 chebi.json http://purl.obolibrary.org/obo/CHEBI_99147 2_STAR CHEBI:51161 biolink:ChemicalSubstance dexpropranolol hydrochloride Beilstein:5780493|Beilstein:5780491|CAS:13071-11-9|DrugBank:DB00571|KEGG:D03729 chebi.json D-Propranolol hydrochloride|(+)-1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol hydrochloride|Dexpropranolol HCl|(2R)-3-(naphthalen-1-yloxy)-1-(propan-2-ylamino)propan-2-ol hydrochloride http://purl.obolibrary.org/obo/CHEBI_51161 3_STAR CHEBI:9464 biolink:ChemicalSubstance testosterone enanthate KEGG:C08157|DrugBank:DB00624|LIPID_MAPS_instance:LMST02020075|KEGG:D00958|Beilstein:3170544|Drug_Central:4609|CAS:315-37-7|CAS:315-37-7|CAS:315-37-7 chebi.json 17beta-hydroxyandrost-4-en-3-one heptanoate|Testosterone heptanoate|3-oxoandrost-4-en-17beta-yl heptanoate|Testosterone 17-enanthate|17-((1-Oxoheptyl)oxy)androst-4-en-3-one|17-Hydroxyandrost-4-en-3-one, 17-heptanoate http://purl.obolibrary.org/obo/CHEBI_9464 3_STAR CHEBI:51162 biolink:ChemicalSubstance oxonium ylide Any oxygen ylide that is a compound having the structure R2O(+)-C(-)-R2. 2. Any of the class of 1,3-dipolar compounds of general structure R2C=O(+)-Y(-), comprising carbonyl imides, carbonyl oxides and carbonyl ylides. chebi.json oxonium ylides|iluros de oxonio|ylure d'oxonium|oxonium ylides|iluro de oxonio http://purl.obolibrary.org/obo/CHEBI_51162 3_STAR CHEBI:99148 biolink:ChemicalSubstance N-[2-[(2S,5R,6R)-5-[[(3,4-dichloroanilino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]-4-fluorobenzamide LINCS:LSM-10527 chebi.json http://purl.obolibrary.org/obo/CHEBI_99148 2_STAR CHEBI:99149 biolink:ChemicalSubstance N-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-oxo-2-[(4-phenoxyphenyl)methylamino]ethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-4-oxanecarboxamide LINCS:LSM-10528 chebi.json http://purl.obolibrary.org/obo/CHEBI_99149 2_STAR CHEBI:51163 biolink:ChemicalSubstance carbonyl imide A 1,3-dipolar compound having the structure: R2C=O(+)-N(-)-R <-> R2C(+)-O-N(-)-R. chebi.json imides de carbonyle|imidas de carbonilo|carbonyl imides http://purl.obolibrary.org/obo/CHEBI_51163 3_STAR CHEBI:9465 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9465 CHEBI:9466 biolink:ChemicalSubstance Testosterone propionate CAS:57-85-2|HMDB:HMDB0015489|KEGG:C08158|Drug_Central:4146|KEGG:D00959 chebi.json virormone|Testosterone propionate http://purl.obolibrary.org/obo/CHEBI_9466 2_STAR CHEBI:51164 biolink:ChemicalSubstance lisuride DrugBank:DB00589|CAS:18016-80-3|Drug_Central:1588|Beilstein:4716660 chebi.json 1,1-diethyl-3-[(8alpha)-6-methyl-9,10-didehydroergolin-8-yl]urea|lisuride|lisuride|lisurida|lisuridum|N'-((8alpha)-9,10-Didehydro-6-methylergolin-8-yl)-N,N-diethylurea http://purl.obolibrary.org/obo/CHEBI_51164 3_STAR CHEBI:170540 biolink:ChemicalSubstance PE(20:4(5Z,8Z,11Z,14Z)/P-18:1(9Z)) HMDB:HMDB0009414|Chemspider:24768865 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170540 2_STAR CHEBI:9481 biolink:ChemicalSubstance Tetrahydrocorticosterone PMID:932595|PMID:9812172|PMID:3740084|CAS:68-42-8|KEGG:C05476|PMID:1133844|PMID:12707870|PMID:9724039|HMDB:HMDB0000268 chebi.json Tetrahydrocorticosterone|(3a,5b,11b)-3,11,21-trihydroxy-Pregnan-20-one|1-[(1S,2S,5R,7R,11S,14S,15S,17S)-5,17-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxyethan-1-one|3a,11b,21-Trihydroxy-5b-pregnan-20-one|5b-Pregnane-3a,11b,21-triol-20-one|Tetrahydro-Corticosterone|3a,5b-Tetrahydrocorticosterone http://purl.obolibrary.org/obo/CHEBI_9481 2_STAR CHEBI:145530 biolink:ChemicalSubstance 1-O-(4-O-propyl-alpha-D-galactosyl)-N-hexacosanoylphytosphingosine A glycophytoceramide having a 4-O-propyl-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. chebi.json N-[(2S,3S,4R)-3,4-dihydroxy-1-{[4-O-propyl-alpha-D-galactopyranosyl]oxy}octadecan-2-yl]hexacosanamide|N-[(2S,3S,4R)-1-(4-O-propyl-alpha-D-galactosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide|N-[(2S,3S,4R)-3,4-dihydroxy-1-(4-O-propyl-alpha-D-galactopyranosyloxy)octadecan-2-yl]hexacosanamide|N-{(2S,3S,4R)-1-[(4-O-propyl-alpha-D-galactopyranosyl)oxy]-3,4-dihydroxyoctadecan-2-yl}hexacosanamide|(2S,3S,4R)-1-(4-O-propyl-alpha-D-galactopyranosyloxy)-2-hexacosanoylaminooctadecane-3,4-diol http://purl.obolibrary.org/obo/CHEBI_145530 3_STAR CHEBI:170552 biolink:ChemicalSubstance PE(20:4(8Z,11Z,14Z,17Z)/18:1(9Z)) HMDB:HMDB0009422|Chemspider:24768873 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170552 2_STAR CHEBI:145531 biolink:ChemicalSubstance N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(t18:0)(3-) chebi.json a neolactoside VIII(3)-alpha-NeuAc,VI(6),IV(6)-beta-[NeuAc-alpha-(2->3)-Gal-beta-(1->4)-GlcNAc]2-nLc8Cer(t18:0)|N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-4R-hydroxysphinganine(3-)|N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylphytosphingosine(3-)|alpha-NeuNAc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-NeuNAc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-NeuNAc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(t18:0)(3-) http://purl.obolibrary.org/obo/CHEBI_145531 2_STAR CHEBI:170553 biolink:ChemicalSubstance TG(15:0/15:0/20:2n6) Chemspider:59652538|HMDB:HMDB0043005 chebi.json [(2S)-2,3-di(pentadecanoyloxy)propyl] (11Z,14Z)-icosa-11,14-dienoate http://purl.obolibrary.org/obo/CHEBI_170553 2_STAR CHEBI:9482 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9482 CHEBI:145532 biolink:ChemicalSubstance N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d20:1(4E))(3-) chebi.json N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-eicosasphing-4-enine(3-)|alpha-NeuNAc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-NeuNAc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-NeuNAc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d20:1(4E))(3-)|a neolactoside VIII(3)-alpha-NeuAc,VI(6),IV(6)-beta-[NeuAc-alpha-(2->3)-Gal-beta-(1->4)-GlcNAc]2-nLc8Cer(d20:1(4E))|N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-icosasphingosine(3-) http://purl.obolibrary.org/obo/CHEBI_145532 2_STAR CHEBI:170554 biolink:ChemicalSubstance TG(14:0/22:2(13Z,16Z)/14:0) Chemspider:30777674|HMDB:HMDB0042661 chebi.json 1,3-di(tetradecanoyloxy)propan-2-yl (13Z,16Z)-docosa-13,16-dienoate http://purl.obolibrary.org/obo/CHEBI_170554 2_STAR CHEBI:9483 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9483 CHEBI:145533 biolink:ChemicalSubstance (R)-Fasnall An N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine in which the chiral centre has R configuration. Both enantiomers act as fatty acid synthase inhibitors, although the (S)-enantiomer was found to be more than 4 times as active as the (R)-enantiomer. CAS:2138838-56-7|PMID:27265747 chebi.json N-[(3R)-1-benzylpyrrolidin-3-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine|HS-79 http://purl.obolibrary.org/obo/CHEBI_145533 3_STAR CHEBI:170555 biolink:ChemicalSubstance PE(20:4(8Z,11Z,14Z,17Z)/18:1(11Z)) HMDB:HMDB0009421|Chemspider:24768872 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170555 2_STAR CHEBI:9484 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9484 CHEBI:51158 biolink:ChemicalSubstance ammonium ylide A 1,2-dipolar compound of general structure R3N(+)-C(-)R2. chebi.json ammonium ylides|ylure d'ammonium|iluros de amonio|iluros de amina|ylure d'amine|iluro de amina|iluro de amonio http://purl.obolibrary.org/obo/CHEBI_51158 3_STAR CHEBI:170556 biolink:ChemicalSubstance TG(14:0/20:1(11Z)/16:1(9Z)) HMDB:HMDB0042399|Chemspider:59651952 chebi.json [(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropan-2-yl] (Z)-icos-11-enoate http://purl.obolibrary.org/obo/CHEBI_170556 2_STAR CHEBI:145534 biolink:ChemicalSubstance (S)-Fasnall An N-(1-benzylpyrrolidin-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine in which the chiral centre has S configuration. Both enantiomers act as fatty acid synthase inhibitors, although the (S)-enantiomer was found to be more than 4 times as active as the (R)-enantiomer. CAS:2138838-57-8|PMID:27265747 chebi.json HS-80|N-[(3S)-1-benzylpyrrolidin-3-yl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine http://purl.obolibrary.org/obo/CHEBI_145534 3_STAR CHEBI:145535 biolink:ChemicalSubstance pevonedistat A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine which is substituted by a (1S)-2,3-dihydro-1H-inden-1-ylnitrilo group at position 4 and by a (1S,3S,4S)-3-hydroxy-4-[(sulfamoyloxy)methyl]cyclopentyl group at position 7. It is a potent and selective NEDD8-activating enzyme inhibitor with an IC50 of 4.7 nM, and currently under clinical investigation for the treatment of acute myeloid leukemia (AML) and myelodysplastic syndromes. PMID:26561559|KEGG:D10413|PDBeChem:B39|PMID:30850948|PMID:29348128|PMID:27783255|PMID:28838998|PMID:29667067|PMID:31665821|PMID:30556867|PMID:31002342|PMID:30545630|PMID:30845347|LINCS:LSM-6263|PMID:27551465|PMID:28578874|PMID:30341788|PMID:19360080|PMID:25733005|PMID:31355467|PMID:30020196|PMID:20129059|Wikipedia:Pevonedistat|PMID:27901050|CAS:905579-51-3|DrugBank:DB11759|PMID:31528694|PMID:28717191|PMID:26292710 chebi.json pevonedistatum|[(1S,2S,4R)-4-[4-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]pyrrolo[2,3-d]pyrimidin-7-yl]-2-hydroxy-cyclopentyl]methyl sulfamate|[(1S,2S,4R)-4-{4-[(1S)-2,3-dihydro-1H-inden-1-ylamino]-7H-pyrrolo[2,3-d]pyrimidin-7-yl}-2-hydroxycyclopentyl]methyl sulfamate|MLN 4924|pevonedistat|MLN-4924|MLN4924 http://purl.obolibrary.org/obo/CHEBI_145535 3_STAR CHEBI:51159 biolink:ChemicalSubstance azomethine ylide A 1,3-dipolar compound having the structure R2C(-)-N(+)(R)=CR2 <-> R2C=N(+)(R)-C(-)R2. chebi.json iluros de azometina|ylure d'azomethine|iluro de azometina|azomethine ylides http://purl.obolibrary.org/obo/CHEBI_51159 3_STAR CHEBI:170557 biolink:ChemicalSubstance PE(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) PDBeChem:U3G|Chemspider:24768840|HMDB:HMDB0009389|LIPID_MAPS_instance:LMGP02010944 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170557 2_STAR CHEBI:145536 biolink:ChemicalSubstance motixafortide A heterodetic cyclic peptide that has antineoplastic activity. It is a CXC chemokine receptor 4 (CXCR4) antagonist with an IC50 value of 0.8 nM and is currently under clinical investigation for the treatment of hematological malignancies, solid tumors, and stem cell mobilization. It was granted orphan drug designation by the FDA for the treatment of pancreatic cancer in 2019. PMID:19322207|PMID:28280274|PMID:19584281|PMID:17525235|PMID:28835380|PMID:23637121|CAS:664334-36-5|PMID:22992418|PMID:24502926|PMID:15207725|PMID:24246358|PMID:21138752|PMID:23906028|PMID:22925564|DrugBank:DB14939|PMID:12935890 chebi.json motixafortida|BL 8040|BL8040|BKT 140|TN-14003|BL-8040|motixafortidum|BKT-140|TF 14016|4F-benzoyl-TN14003|BKT140|TF14016|(3S,6S,9S,12R,17R,20S,23S,26S,29S,34aS)-26,29-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-17-{[(2S)-2-{[(2S)-5-carbamimidamido-2-{[(2S)-5-carbamimidamido-2-(4-fluorobenzamido)pentanoyl]amino}pentanoyl]amino}-3-(naphthalen-2-yl)propanoyl]amino}-6-(3-carbamimidamidopropyl)-9,23-bis[3-(carbamoylamino)propyl]-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxotriacontahydro-1H,16H-pyrrolo[2,1-p][1,2,5,8,11,14,17,20,23,26,29]dithianonaazacyclodotriacontine-12-carboxamide|motixafortide|TF-14016 http://purl.obolibrary.org/obo/CHEBI_145536 3_STAR CHEBI:170558 biolink:ChemicalSubstance TG(14:0/18:1(9Z)/18:1(11Z)) HMDB:HMDB0042370|Chemspider:59651926 chebi.json [(2S)-1-[(Z)-octadec-11-enoyl]oxy-3-tetradecanoyloxypropan-2-yl] (Z)-octadec-9-enoate http://purl.obolibrary.org/obo/CHEBI_170558 2_STAR CHEBI:170559 biolink:ChemicalSubstance PE(20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) HMDB:HMDB0009388|Chemspider:24768839 chebi.json [(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate http://purl.obolibrary.org/obo/CHEBI_170559 2_STAR CHEBI:145537 biolink:ChemicalSubstance AMG-925 An organic heterotricyclic compound that is 9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidine which is substituted by a [6-(hydroxyacetyl)-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl]nitrilo group at position 2 and by a trans-4-methylcyclohexyl group at position 9. It is a FLT3 and CDK4 dual kinase inhibitor that has antineoplastic activity. Currently under clinical investigation in patients with relapsed or refractory acute myeloid leukemia (AML). PMID:24641103|PMID:30514344|PMID:25487917|CAS:1401033-86-0|PMID:25326874|Patent:US8623885|PMID:26802152|PMID:24526162 chebi.json AMG-925|FLX 925|2-hydroxy-1-[2-({9-[(1r,4r)-4-methylcyclohexyl]-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl}amino)-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]ethan-1-one|FLX925|FLX-925|AMG925|2-hydroxy-1-[2-{[9-(trans-4-methylcyclohexyl)-9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-2-yl]amino}-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]ethanone|AMG 925 http://purl.obolibrary.org/obo/CHEBI_145537 3_STAR CHEBI:9480 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9480 CHEBI:99130 biolink:ChemicalSubstance N-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-3-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]cyclobutanecarboxamide LINCS:LSM-10509 chebi.json http://purl.obolibrary.org/obo/CHEBI_99130 2_STAR CHEBI:99131 biolink:ChemicalSubstance 2-[(2R,4aS,12aR)-8-[[(3-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(2-phenylethyl)acetamide LINCS:LSM-10510 chebi.json http://purl.obolibrary.org/obo/CHEBI_99131 2_STAR CHEBI:51154 biolink:ChemicalSubstance phosphonium ylide Compounds having the structure R3P(+)-C(-)R2 <-> R3P=CR2, where the phosphorus atom is bonded to four separate atoms. chebi.json ylure de phosphonium|iluro de fosfonio|phosphonium ylides|iluros de fosfonio http://purl.obolibrary.org/obo/CHEBI_51154 3_STAR CHEBI:99132 biolink:ChemicalSubstance N-[(2S,4aR,12aS)-5-methyl-6-oxo-2-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide LINCS:LSM-10511 chebi.json http://purl.obolibrary.org/obo/CHEBI_99132 2_STAR CHEBI:145538 biolink:ChemicalSubstance N-acylethanolamine phosphate Any carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of O-phosphoethanolamine (2-aminoethyl dihydrogen phosphate). PMID:12069840 chebi.json 2-acylaminoethyl dihydrogen phosphate|NAEPA|N-acylaminoethyl dihydrogen phosphate|N-acylethanolamine phosphates http://purl.obolibrary.org/obo/CHEBI_145538 3_STAR CHEBI:9478 biolink:ChemicalSubstance chebi.json http://purl.obolibrary.org/obo/CHEBI_9478 CHEBI:9479 biolink:ChemicalSubstance tetrahydroalstonine A heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at p