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CURIE
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171
CHEBI:10033
Warfarin
biolink:SmallMolecule
[ "4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one", "INCHIKEY:PJVWKTKQMONHTI-UHFFFAOYSA-N", "coumarins", "warfarin" ]
CHEBI:101489
LSM-12852
biolink:SmallMolecule
[ "1-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11-methyl-14-oxo-9-oxa-13-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]urea", "INCHIKEY:HSJIFMVKIOATEF-GTNJKRJXSA-N", "LSM-12852" ]
CHEBI:101732
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N-[3-(4-morpholinyl)propyl]-6-oxo-1-propyl-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
biolink:SmallMolecule
[ "(2R,3R,3aS,9bS)-3-(hydroxymethyl)-N-[3-(4-morpholinyl)propyl]-6-oxo-1-propyl-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide", "INCHIKEY:DECXYAQNRLUUJQ-YQIMAOPZSA-N" ]
CHEBI:102157
N-[(1R,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
biolink:SmallMolecule
[ "INCHIKEY:AAXDVORIQTTZBB-SFNAGVRGSA-N", "N-[(1R,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" ]
CHEBI:102896
N-[(2R,4aS,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide
biolink:SmallMolecule
[ "INCHIKEY:VRPVHEJOGHTQDQ-KTIWRFAQSA-N", "N-[(2R,4aS,12aS)-2-[2-(3-methoxyanilino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-4-oxanecarboxamide" ]
CHEBI:103037
N-[(2S,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide
biolink:SmallMolecule
[ "INCHIKEY:YSHLOQAWMNLOEI-YMPZKCBVSA-N", "N-[(2S,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-methylbenzenesulfonamide" ]
CHEBI:103109
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester
biolink:SmallMolecule
[ "2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(3,3,3-trifluoropropyl)-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]acetic acid methyl ester", "INCHIKEY:NGKDTDLAKVOKMV-RVMXOQNASA-N" ]
CHEBI:103659
N-[(3S,9S,10R)-12-[(2S)-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
biolink:SmallMolecule
[ "INCHIKEY:PLFJTCJSGHSPAZ-UBRKHCEVSA-N", "N-[(3S,9S,10R)-12-[(2S)-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" ]
CHEBI:103764
N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide
biolink:SmallMolecule
[ "INCHIKEY:ZNXYRHHWSDGXHP-UZINWLIJSA-N", "N-[[(4S,5R)-8-(1-cyclopentenyl)-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N,4-dimethylbenzenesulfonamide" ]
CHEBI:104367
2-methoxy-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]acetamide
biolink:SmallMolecule
[ "2-methoxy-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]acetamide", "INCHIKEY:JPYQBBUSLGAIKR-GLJUWKHASA-N" ]
CHEBI:105276
N-(4-methylphenyl)-4-oxo-4-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methylhydrazo]butanamide
biolink:ChemicalEntity
[ "INCHIKEY:AJYBBKZDPHFWAR-UHFFFAOYSA-N", "N-(4-methylphenyl)-4-oxo-4-[(6-oxo-5-prop-2-enyl-1-cyclohexa-2,4-dienylidene)methylhydrazo]butanamide" ]
CHEBI:105664
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dimethyl-2-oxo-5-benzimidazolesulfonamide
biolink:SmallMolecule
[ "INCHIKEY:QTUHMOVIXHCTLH-UHFFFAOYSA-N", "N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-dimethyl-2-oxo-5-benzimidazolesulfonamide" ]
CHEBI:105856
2-amino-3-cyano-5-oxo-1'-spiro[7,8-dihydro-6H-1-benzopyran-4,4'-piperidine]carboxylic acid (phenylmethyl) ester
biolink:SmallMolecule
[ "2-amino-3-cyano-5-oxo-1'-spiro[7,8-dihydro-6H-1-benzopyran-4,4'-piperidine]carboxylic acid (phenylmethyl) ester", "INCHIKEY:XKUOZATYGGNDNY-UHFFFAOYSA-N" ]
CHEBI:105870
4-(4-chlorophenyl)-3-(phenylmethyl)-1H-imidazole-2-thione
biolink:SmallMolecule
[ "1-benzyl-5-(4-chlorophenyl)-1H-imidazole-2-thiol", "4-(4-chlorophenyl)-3-(phenylmethyl)-1H-imidazole-2-thione", "INCHIKEY:VWPLZCGHNRMBIF-UHFFFAOYSA-N" ]
CHEBI:105995
5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-3-propan-2-yl-2-sulfanylidene-4-thiazolidinone
biolink:ChemicalEntity
[ "5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-3-propan-2-yl-2-sulfanylidene-4-thiazolidinone", "INCHIKEY:DLPVSEABAWKYJX-UHFFFAOYSA-N" ]
CHEBI:106004
3,7-dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]quinoline
biolink:SmallMolecule
[ "3,7-dimethyl-2-[4-(2-pyridinyl)-1-piperazinyl]quinoline", "INCHIKEY:LYTRGAWLJLRTGI-UHFFFAOYSA-N" ]
CHEBI:106114
(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
biolink:SmallMolecule
[ "(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", "INCHIKEY:WOUSVQRWYFHTGE-OUJBWJOFSA-N" ]
CHEBI:106155
(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
biolink:SmallMolecule
[ "(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", "INCHIKEY:XPLVEXAVWRQRFN-ZYLNGJIFSA-N" ]
CHEBI:107824
4-(3-amino-2-imidazo[1,2-a]pyridinyl)-2-methoxyphenol
biolink:SmallMolecule
[ "4-(3-Aminoimidazo[1,2-a]pyridin-2-yl)-2-methoxyphenol", "4-(3-amino-2-imidazo[1,2-a]pyridinyl)-2-methoxyphenol", "INCHIKEY:KLGHXLHELHJKEL-UHFFFAOYSA-N" ]
CHEBI:107897
N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
biolink:SmallMolecule
[ "INCHIKEY:RIJJJSYFNVSOLS-UHFFFAOYSA-N", "N-(1,3-benzothiazol-2-yl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide" ]
CHEBI:110087
N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide
biolink:SmallMolecule
[ "INCHIKEY:JHVMXPAASGDEJW-AXHZCLLHSA-N", "N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-8-(5-pyrimidinyl)-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclohexanecarboxamide" ]
CHEBI:110145
N-[[(2R,3R)-8-(3-cyclopentylprop-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-thiophenesulfonamide
biolink:SmallMolecule
[ "INCHIKEY:VAEQCBKICRQYMW-REHUZNOOSA-N", "N-[[(2R,3R)-8-(3-cyclopentylprop-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-thiophenesulfonamide" ]
CHEBI:110654
1-(4-fluorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea
biolink:SmallMolecule
[ "1-(4-fluorophenyl)-3-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea", "INCHIKEY:NUZAMTOBMKNCBP-ZMPRRUGASA-N" ]
CHEBI:111611
1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea
biolink:SmallMolecule
[ "1-[[(2S,3R)-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-1-methyl-3-(1-naphthalenyl)urea", "INCHIKEY:QINKYHPKCUNNMN-XMERXJNXSA-N" ]
CHEBI:111614
4,4,4-trifluoro-N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
biolink:SmallMolecule
[ "4,4,4-trifluoro-N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide", "INCHIKEY:MJOLMSVGHZLLLZ-IIYDPXPESA-N" ]
CHEBI:112335
N-[(benzenesulfonylhydrazo)-sulfanylidenemethyl]-4-methylbenzamide
biolink:SmallMolecule
[ "INCHIKEY:CFBLQGYTXNKODL-UHFFFAOYSA-N", "N-(benzenesulfonamidocarbamothioyl)-4-methylbenzamide", "N-[(benzenesulfonylhydrazo)-sulfanylidenemethyl]-4-methylbenzamide" ]
CHEBI:112789
4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine
biolink:SmallMolecule
[ "4-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)thieno[2,3-d]pyrimidine", "INCHIKEY:BYXYOOUBQILWGZ-UHFFFAOYSA-N" ]
CHEBI:113765
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide
biolink:SmallMolecule
[ "INCHIKEY:DJIXJENXBPUHIX-GUXCAODWSA-N", "N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]cyclopropanecarboxamide" ]
CHEBI:114650
6-(2-oxopropylthio)-3-pyridinecarboxylic acid
biolink:SmallMolecule
[ "6-(2-oxopropylthio)-3-pyridinecarboxylic acid", "6-[(2-Oxopropyl)sulfanyl]nicotinic acid", "INCHIKEY:LRBIKSYRCFHKBN-UHFFFAOYSA-N" ]
CHEBI:115894
(4S,7S,8R)-14-(ethylsulfonylamino)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide
biolink:SmallMolecule
[ "(4S,7S,8R)-14-(ethylsulfonylamino)-8-methoxy-4,7,10-trimethyl-11-oxo-N-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-5-carboxamide", "INCHIKEY:YMYKUEFQMUUFAJ-FIKGOQFSSA-N" ]
CHEBI:116329
2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(2-methyl-4-quinolinyl)methyl]acetamide
biolink:SmallMolecule
[ "2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-[(2-methyl-4-quinolinyl)methyl]acetamide", "INCHIKEY:CNDCJFZFIJPIIM-UHFFFAOYSA-N" ]
CHEBI:116991
7-chloro-5-(4-fluorophenyl)-4-(1-oxopropyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one
biolink:SmallMolecule
[ "7-chloro-5-(4-fluorophenyl)-4-(1-oxopropyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one", "INCHIKEY:UOYNCKOPUNYWCU-UHFFFAOYSA-N" ]
CHEBI:118222
3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide
biolink:SmallMolecule
[ "3-fluoro-N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide", "INCHIKEY:SVHHNONGWSEYCY-ULQDDVLXSA-N" ]
CHEBI:120389
N-[(4-fluorophenyl)methyl]-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide
biolink:SmallMolecule
[ "INCHIKEY:RCCDRCNDPSXTFI-SESVDKBCSA-N", "N-[(4-fluorophenyl)methyl]-2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(3-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetamide" ]
CHEBI:120552
2-(4-fluorophenyl)-1-indolizinecarboxylic acid ethyl ester
biolink:SmallMolecule
[ "2-(4-fluorophenyl)-1-indolizinecarboxylic acid ethyl ester", "Ethyl 2-(4-fluorophenyl)indolizine-1-carboxylate", "INCHIKEY:LBZIZFQFNSAYKL-UHFFFAOYSA-N" ]
CHEBI:120794
1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine
biolink:SmallMolecule
[ "1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,6-dimethylphenyl)piperazine", "INCHIKEY:KLVSKFLMGKPHDM-UHFFFAOYSA-N" ]
CHEBI:122003
6-chloro-2-[(1H-1,2,4-triazol-5-ylthio)methyl]imidazo[1,2-a]pyridine
biolink:SmallMolecule
[ "6-chloro-2-[(1H-1,2,4-triazol-5-ylthio)methyl]imidazo[1,2-a]pyridine", "INCHIKEY:KUPAUUGPMCWERI-UHFFFAOYSA-N" ]
CHEBI:122914
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide
biolink:SmallMolecule
[ "2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(1-oxo-2-pyridin-4-ylethyl)amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(2,5-difluorophenyl)methyl]acetamide", "INCHIKEY:QUIMTGQEYLWUJB-HYBZQTAMSA-N" ]
CHEBI:123152
N-(5-acetyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-6-yl)benzamide
biolink:SmallMolecule
[ "INCHIKEY:RKNWDNVKVPSWCW-UHFFFAOYSA-N", "N-(5-acetyl-2-phenyl-4-sulfanylidene-1H-pyrimidin-6-yl)benzamide" ]
CHEBI:12387
beta-L-fucose 1-phosphate
biolink:SmallMolecule
[ "(3,4,5-Trihydroxy-6-methyloxan-2-yl) phosphate", "Fucose 1-phosphate", "INCHIKEY:PTVXQARCLQPGIR-SXUWKVJYSA-N", "INCHIKEY:PTVXQARCLQPGIR-UHFFFAOYSA-L", "beta-L-fucose 1-phosphate", "fucopyranosyl phosphate" ]
CHEBI:123882
1-[(3R,9R,10S)-12-[(2R)-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]-3-propan-2-ylurea
biolink:SmallMolecule
[ "1-[(3R,9R,10S)-12-[(2R)-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]-3-propan-2-ylurea", "INCHIKEY:SIHQACFNVCTPOW-PXFJVXAFSA-N" ]
CHEBI:123899
N-[(2S,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
biolink:SmallMolecule
[ "INCHIKEY:NJHUJZWBYRHXDV-IOKPGSKQSA-N", "N-[(2S,3R)-2-[[(4-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide" ]
CHEBI:124494
N-cyclobutyl-2-[(2S,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide
biolink:SmallMolecule
[ "INCHIKEY:NFGCCTFMVYXSBN-UAGQMJEPSA-N", "N-cyclobutyl-2-[(2S,5R,6R)-5-[(4-fluorophenyl)sulfonylamino]-6-(hydroxymethyl)-2-oxanyl]acetamide" ]
CHEBI:124512
N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide
biolink:SmallMolecule
[ "INCHIKEY:UJDQBCQJOGKHTG-OSOCVKALSA-N", "N-[(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-4-methoxybenzenesulfonamide" ]
CHEBI:124838
4-(dimethylamino)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide
biolink:SmallMolecule
[ "4-(dimethylamino)-N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]butanamide", "INCHIKEY:DDFOXWCTSAMXEO-FYQCMVGJSA-N" ]
CHEBI:125156
(2S)-2-[[(2S)-2-[(2S,3R)-2-[(2-amino-3-mercaptopropyl)amino]-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid propan-2-yl ester
biolink:SmallMolecule
[ "(2S)-2-[[(2S)-2-[(2S,3R)-2-[(2-amino-3-mercaptopropyl)amino]-3-methylpentoxy]-1-oxo-3-phenylpropyl]amino]-4-methylsulfonylbutanoic acid propan-2-yl ester", "INCHIKEY:PGOKBMWPBDRDGN-VPLSZDNISA-N" ]
CHEBI:125641
6,2',3'-Trihydroxyflavone
biolink:SmallMolecule
[ "2-(2,3-dihydroxyphenyl)-6-hydroxy-1-benzopyran-4-one", "6,2',3'-Trihydroxyflavone", "INCHIKEY:WAOMPPQDRVQLSX-UHFFFAOYSA-N" ]
CHEBI:125758
1-[(3S,9S,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]-3-phenylurea
biolink:SmallMolecule
[ "1-[(3S,9S,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]-3-phenylurea", "INCHIKEY:WSGOBIVUANXEAU-TXHDDHBJSA-N" ]
CHEBI:125889
1-[(1S)-1'-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone
biolink:SmallMolecule
[ "1-[(1S)-1'-[(4-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-2-methoxyethanone", "INCHIKEY:BZEIZDCGDFUHRQ-OAQYLSRUSA-N" ]
CHEBI:126087
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-1-propanone
biolink:SmallMolecule
[ "1-[(1R,2aR,8bR)-1-(hydroxymethyl)-4-(2-methylphenyl)sulfonyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-1-propanone", "INCHIKEY:JZJDAFMFJLEAEU-BBTUJRGHSA-N" ]
CHEBI:126223
LSM-37790
biolink:SmallMolecule
[ "2-cyclopropyl-1-[(2R,3R)-2-(hydroxymethyl)-3-(4-prop-1-enylphenyl)-1-(pyrimidin-5-ylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]ethanone", "INCHIKEY:CEWJYQYGXCECNS-LADGPHEKSA-N", "LSM-37790" ]
CHEBI:126780
N-(2-aminophenyl)-4-[[[(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide
biolink:SmallMolecule
[ "INCHIKEY:ZBLCOVKAEUNWGN-WDCWYOMISA-N", "N-(2-aminophenyl)-4-[[[(2S,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-2-yl]methyl-methylamino]methyl]benzamide" ]
CHEBI:127792
(2S)-2-[(4S,5S)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
biolink:SmallMolecule
[ "(2S)-2-[(4S,5S)-4-methyl-5-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-1,1-dioxo-8-pyridin-4-yl-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol", "INCHIKEY:KBDYTXJNXXZTGD-PNRGXICFSA-N" ]
CHEBI:127935
[(8R,9R,10S)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol
biolink:SmallMolecule
[ "INCHIKEY:OYGJGQMEHJXORO-UPRLRBBYSA-N", "[(8R,9R,10S)-6-(benzenesulfonyl)-9-[4-(2-cyclopentylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol" ]
CHEBI:128029
cyclobutyl-[(1S)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
biolink:SmallMolecule
[ "INCHIKEY:FAPZFILXRWTTCI-RUZDIDTESA-N", "cyclobutyl-[(1S)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone" ]
CHEBI:128649
1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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]-1-methyl-3-propan-2-ylurea
biolink:SmallMolecule
[ "1-[[(3S,9R,10S)-16-[[(4-fluoroanilino)-oxomethyl]amino]-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]-1-methyl-3-propan-2-ylurea", "INCHIKEY:DHTRKFATNYGVIW-PUMORYBASA-N" ]
CHEBI:128978
LSM-40530
biolink:SmallMolecule
[ "INCHIKEY:YCMWBXHYJYTYML-SDHOMARFSA-N", "LSM-40530", "[(8R,9S,10R)-6-(4-methoxyphenyl)sulfonyl-9-(4-prop-1-enylphenyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol" ]
CHEBI:129346
(6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-(1-oxo-2-pyridin-4-ylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one
biolink:SmallMolecule
[ "(6R,7R,8S)-7-(4-bromophenyl)-8-(hydroxymethyl)-4-(1-oxo-2-pyridin-4-ylethyl)-1,4-diazabicyclo[4.2.0]octan-2-one", "INCHIKEY:OJCJNUJOIVBJQI-SQGPQFPESA-N" ]
CHEBI:130222
[(3aR,4S,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-fluorophenyl)methanone
biolink:SmallMolecule
[ "INCHIKEY:FVYMDQNVOKPIEP-FSPWUOQZSA-N", "[(3aR,4S,9bR)-8-bromo-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(2-fluorophenyl)methanone" ]
CHEBI:130340
2-cyclopropyl-1-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-1-(2-pyridinylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]ethanone
biolink:SmallMolecule
[ "2-cyclopropyl-1-[(2R,3R)-2-(hydroxymethyl)-3-phenyl-1-(2-pyridinylmethyl)-1,6-diazaspiro[3.3]heptan-6-yl]ethanone", "INCHIKEY:WUXVANVITFJQQY-RBBKRZOGSA-N" ]
CHEBI:130911
1-[(1S)-1'-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
biolink:SmallMolecule
[ "1-[(1S)-1'-[1,3-benzodioxol-5-yl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone", "INCHIKEY:CNXBXNFKSPAOAI-OAQYLSRUSA-N" ]
CHEBI:131913
O-[S-(3,5-dihydroxy-4-methylanthraniloyl)pantetheine-4'-phosphoryl]serine(1-) residue
biolink:ChemicalEntity
[ "O-[S-(3,5-dihydroxy-4-methylanthraniloyl)pantetheine-4'-phosphoryl]serine(1-) residue" ]
CHEBI:133733
Pro-Hyp zwitterion
biolink:SmallMolecule
[ "H-PRO-HYP-OH", "INCHIKEY:ONPXCLZMBSJLSP-CSMHCCOUSA-N", "Pro-Hyp", "Pro-Hyp zwitterion", "Prolylhydroxyproline" ]
CHEBI:134238
phosphatidylethanolamine 37:0
biolink:ChemicalEntity
[ "phosphatidylethanolamine 37:0" ]
CHEBI:134574
alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(38:2)
biolink:ChemicalEntity
[ "alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(38:2)" ]
CHEBI:134665
N,N-dihydroxy-L-dihomomethioninate
biolink:SmallMolecule
[ "INCHIKEY:QUWOJKUKIVDGKY-LURJTMIESA-M", "N,N-dihydroxy-6-(methylsulfanyl)-L-norleucinate", "N,N-dihydroxy-L-dihomomethioninate" ]
CHEBI:134703
Fluciclovine (18F)
biolink:ChemicalEntity
[ "FLUCICLOVINE F-18", "FLUCICLOVINE F18", "Fluciclovine (18F)", "INCHIKEY:NTEDWGYJNHZKQW-DGMDOPGDSA-N", "fluciclovine ((18)F)" ]
CHEBI:134902
Benzylthiouracil
biolink:SmallMolecule
[ "INCHIKEY:PNXBXCRWXNESOV-UHFFFAOYSA-N", "benzylthiouracil" ]
CHEBI:136091
phosphatidylcholine (18:2/22:6)
biolink:ChemicalEntity
[ "phosphatidylcholine (18:2/22:6)" ]
CHEBI:137495
13(R)-HODE
biolink:SmallMolecule
[ "13(R)-HODE", "13R-Hode", "INCHIKEY:HNICUWMFWZBIFP-PIHGWCCBSA-N" ]
CHEBI:137593
(2E,4Z)-decadienoyl-CoA
biolink:SmallMolecule
[ "(2E,4Z)-deca-2,4-dienoyl-CoA(4-)", "(2E,4Z)-decadienoyl-CoA", "INCHIKEY:FASAKYLWSRDQOH-IMVFQKDNSA-J", "trans-Delta2, cis-Delta4-decadienoyl-CoA" ]
CHEBI:139152
(S,S)-3-oleoylglycero-1-phospho-1'-glycerol(1-)
biolink:SmallMolecule
[ "(2S)-2,3-dihydroxypropyl (2S)-2-hydroxy-3-{[(9Z)-octadec-9-enoyl]oxy}propyl phosphate", "(S,S)-3-oleoylglycero-1-phospho-1'-glycerol(1-)", "INCHIKEY:FQQQKGAFQIIGLQ-RXWKEIDKSA-M" ]
CHEBI:139158
[(1->2)-alpha-L-rhamnosyl-(1->4)-alpha-D-galacturonosyl]n polyanion
biolink:SmallMolecule
[ "(2S,3R,4R,5R,6S)-4,5,6-trihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxane-2-carboxylate", "INCHIKEY:YLAIFAUCSMMVDB-QGINKGDOSA-M", "[(1->2)-alpha-L-rhamnosyl-(1->4)-alpha-D-galacturonosyl]n polyanion" ]
CHEBI:139299
4alpha-phorbol 12,13-didecanoate
biolink:SmallMolecule
[ "4alpha-phorbol 12,13-didecanoate", "INCHIKEY:DGOSGFYDFDYMCW-OEFRVDPMSA-N" ]
CHEBI:139458
Eriodictyol-7-O-Glucoside
biolink:SmallMolecule
[ "Eriodictyol-7-O-Glucoside", "INCHIKEY:RAFHNDRXYHOLSH-SFTVRKLSSA-N", "eriodictyol 7-O-beta-D-glucopyranoside" ]
CHEBI:141012
alpha-NeuAc-(2->3)-beta-D-Gal-(1->3)-[alpha-NeuAc-(2->6)]-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(t18:0)
biolink:ChemicalEntity
[ "alpha-NeuAc-(2->3)-beta-D-Gal-(1->3)-[alpha-NeuAc-(2->6)]-beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(t18:0)" ]
CHEBI:141042
alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(t18:0)
biolink:ChemicalEntity
[ "alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(t18:0)" ]
CHEBI:142067
beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-galactosaminyl-(1->4)-[alpha-N-glycoloylneuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d20:0)(3-)
biolink:ChemicalEntity
[ "beta-D-galactosyl-(1->3)-[N-acetyl-alpha-neuraminosyl-(2->6)]-N-acetyl-beta-galactosaminyl-(1->4)-[alpha-N-glycoloylneuraminosyl-(2->8)-N-acetyl-alpha-neuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d20:0)(3-)" ]
CHEBI:142173
3-O-sulfo-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-(3-O-sulfo)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:0)(2-)
biolink:ChemicalEntity
[ "3-O-sulfo-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-(3-O-sulfo)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d18:0)(2-)" ]
CHEBI:142370
phosphatidylcholine 44:11
biolink:ChemicalEntity
[ "phosphatidylcholine 44:11" ]
CHEBI:142382
Cer(d39:2)
biolink:ChemicalEntity
[ "Cer(d39:2)" ]
CHEBI:142724
1''-O-acetyl-ADP-ribose
biolink:SmallMolecule
[ "1''-O-acetyl-ADP-D-ribose(2-)", "1''-O-acetyl-ADP-ribose", "INCHIKEY:IJOUKWCBVUMMCR-YDKGJHSESA-L", "INCHIKEY:IJOUKWCBVUMMCR-YDKGJHSESA-N" ]
CHEBI:142791
N-(1-acetylpiperidin-4-yl)-N'-[4-(trifluoromethoxy)phenyl]urea
biolink:SmallMolecule
[ "3-(1-Acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea", "INCHIKEY:UAKAZEQUWPXSOS-UHFFFAOYSA-N", "N-(1-acetylpiperidin-4-yl)-N'-[4-(trifluoromethoxy)phenyl]urea" ]
CHEBI:143466
(2R,3R,4R,5S)-6-{4-[5-(4-aminobenzenesulfonamido)pyrazol-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
biolink:SmallMolecule
[ "(2R,3R,4R,5S)-6-{4-[5-(4-aminobenzenesulfonamido)pyrazol-1-yl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid", "(2S,3S,4S,5R)-6-[4-[5-[(4-aminophenyl)sulfonylamino]pyrazol-1-yl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid", "INCHIKEY:URNPJRJMRQQIFO-DAZJWRSOSA-N" ]
CHEBI:143869
thalicpureine
biolink:SmallMolecule
[ "INCHIKEY:VMIFHEUVQQHIOK-UHFFFAOYSA-N", "thalicpureine" ]
CHEBI:144442
N-acetyl-alpha-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-alpha-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')...
biolink:ChemicalEntity
[ "N-acetyl-alpha-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-alpha-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<...
CHEBI:145316
PC(22:2_22:6)
biolink:ChemicalEntity
[ "PC(22:2_22:6)" ]
CHEBI:145836
(5S)-hydroperoxy-(6E,8Z)-icosadienoate(1-)
biolink:SmallMolecule
[ "(5S)-hydroperoxy-(6E,8Z)-eicosadienoate", "(5S)-hydroperoxy-(6E,8Z)-icosadienoate(1-)", "INCHIKEY:RDHFKVSJUOLISK-ZVRDGTKVSA-M" ]
CHEBI:146063
GlyTouCan:G00428HK
biolink:SmallMolecule
[ "GlyTouCan:G00428HK", "INCHIKEY:GLIPVEFIFZYNJX-VSMFRSKSSA-N", "N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,3,6-trihydroxy-4-[(2S,3R,4S,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl...
CHEBI:146668
alpha-L-Fucp-(1->4)-alpha-D-Glcp
biolink:SmallMolecule
[ "INCHIKEY:LTHOGZQBHZQCGR-AIVRNSCJSA-N", "alpha-L-Fucp-(1->4)-alpha-D-Glcp" ]
CHEBI:147011
alpha-L-Fucp-(1->3)-beta-D-Galp2Me-(1->4)-D-GlcpNAc
biolink:SmallMolecule
[ "INCHIKEY:DIQBTLPOAJYZRO-RPHFRCAISA-N", "alpha-L-Fucp-(1->3)-beta-D-Galp2Me-(1->4)-D-GlcpNAc" ]
CHEBI:147099
GlyTouCan:G07147QM
biolink:SmallMolecule
[ "GlyTouCan:G07147QM", "INCHIKEY:RTJDFYNLFVPJCZ-IWDIICGPSA-N", "N-[(2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5S,6R)-2-[[(2R,3R,4S,5S,6S)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido...
CHEBI:147730
GlyTouCan:G17630DD
biolink:SmallMolecule
[ "GlyTouCan:G17630DD", "INCHIKEY:XWLJVRMXCXDYAH-PNQQXHNUSA-N", "N-[(2R,3R,4R,5R,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-[(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)-4,5,...
CHEBI:147869
GlyTouCan:G12440KU
biolink:SmallMolecule
[ "GlyTouCan:G12440KU", "INCHIKEY:FDIDEVBWFSAAKS-NGQIMYOBSA-N", "N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-[(...
CHEBI:148964
GlyTouCan:G24674CB
biolink:SmallMolecule
[ "GlyTouCan:G24674CB", "INCHIKEY:YJNVENJNJVHNPQ-VFHMCJIJSA-N", "N-[(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-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6...
CHEBI:149002
GlyTouCan:G24796DA
biolink:SmallMolecule
[ "(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5-acetamido-2-[[(2R,3R,4R,5R,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4...
CHEBI:149095
GlyTouCan:G30925QW
biolink:SmallMolecule
[ "GlyTouCan:G30925QW", "INCHIKEY:RFOJRLZHNLWGIB-UHHXLGOFSA-N", "[(2S,3R,4R,5S,6R)-3-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(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-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-5-hydroxy-6-(hydroxym...
CHEBI:149966
3-(6-Methylpyridin-2-yl)-2-(4-pyridin-3-ylphenyl)-1,3-thiazolidin-4-one
biolink:SmallMolecule
[ "3-(6-Methyl-2-pyridinyl)-2-(4-pyridin-3-ylphenyl)-1,3-thiazolidin-4-one", "3-(6-Methylpyridin-2-yl)-2-(4-pyridin-3-ylphenyl)-1,3-thiazolidin-4-one", "INCHIKEY:BCSIDRMKCDVYDX-UHFFFAOYSA-N" ]
CHEBI:150298
GlyTouCan:G38488ZJ
biolink:SmallMolecule
[ "GlyTouCan:G38488ZJ", "INCHIKEY:KUHZGEXIYLPEEF-DDYGSXJFSA-N", "N-[(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)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dih...
CHEBI:150555
(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5...
biolink:ChemicalEntity
[ "(2S,4S,5R,6R)-5-Acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]ox...
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BiolinkAmalgam

Biomedical entity synonym cliques built from BABEL compendia and synonyms (snapshot: local:/home/sgoetz/babel-snapshots/2026jul22), merged and arbitrated so that within a (class, taxon scope), a synonym belongs to exactly one CURIE. GTDB (Genome Taxonomy Database, /home/sgoetz/gtdb) contributes biolink:OrganismTaxon cliques: every GTDB rank becomes a GTDB:-prefixed taxon CURIE, and species carrying an ncbi_species_taxid crossref into their NCBITaxon: clique (visible as a GTDB:-prefixed synonym; at most one GTDB species per NCBI species — many-to-one mappings stay singletons).

Synonyms are the ORIGINAL strings with junk filtered out (see below); normalization (stemming, level keys) is deliberately left to downstream consumers.

Schema

One row per surviving clique leader.

Column Type Meaning
CURIE string clique leader identifier
PREFERRED_NAME string the clique's preferred name, as written
CLASS string Biolink category, e.g. biolink:Gene
SYNONYMS list synonyms as originally written, sorted; a synonym appears in at most one row per (class, taxon scope)

What was filtered

  • biolink:Publication and biolink:Agent cliques (titles and leftover-UMLS organizations).
  • Taxa outside the top-100 experimental taxon allowlist (taxonless and biolink:OrganismTaxon cliques kept).
  • Names that are pure numbers (including decimals like 0.5), contain language, uncharacterized or hypothetical, or equal a medically meaningless stopword (unknown, none, the, ...; full list in config/filters.yaml).
  • Conflated BABEL synonym files are never read: drug/chemical and gene/protein cliques stay distinct.

Generation

stage rows time
ingest 140432548 3028096 ms
merge 139080106 2822524 ms
arbitrate 139080106 1098051 ms

Generated 2026-10-24 by BiolinkAmalgam.

Usage 

from datasets import load_dataset

ds = load_dataset("SkyeAv/biolink-amalgam", split="train")
row = ds[0]
print(row["CURIE"], row["PREFERRED_NAME"], row["CLASS"])
print(row["SYNONYMS"])

Licensing

BABEL aggregates many upstream biomedical resources with heterogeneous licenses (UMLS content in particular requires a UMLS license). This dataset inherits those upstream terms; check the BABEL license summary for your intended use. GTDB data are CC-BY-SA-4.0 (share-alike); GTDB-derived taxa carry those terms.
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