| 2D Structure | |
| CID | 6675 |
| IUPAC Name | 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid |
| InChI | InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1 |
| InChI Key | WBWWGRHZICKQGZ-HZAMXZRMSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C26H45NO7S |
| Molecular Weight | 515.7 |
| synonyms | ['TAUROCHOLIC ACID', '81-24-3', 'Cholaic acid', 'Cholyltaurine', 'N-Choloyltaurine', 'Cholic acid taurine conjugate', 'Taurine, N-choloyl-', 'Acidum cholatauricum', '3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid 24-taurine', 'Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-', 'CHEBI:28865', '5E090O0G3Z', '2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid', 'NSC-25505', 'DTXSID00883259', 'N-(3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholan-24-oyl)-taurine', '2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid', 'ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-', 'Taurocholate, Sodium', '2-(((4R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)pentanoyl)amino)ethanesulfonic acid', '2-((4R)-4-((1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadecan-14-yl)pentanamido)ethane-1-sulfonic acid', '2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid', '2-{[(3Alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid', 'DTXCID601022803', '2-((3-alpha,7-alpha,12-alpha-trihydroxy-24-oxo-5-beta-cholan-24-yl)amino)ethanesulfonic acid', '2-(4-((5R,7S,9R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo(8.7.0.02,7.011,15)heptadecan-14-yl)pentanamido)ethane-1-sulfonic acid', '201-336-2', 'Taurocholate sodium', 'NSC25505', 'NSC 25505', '2-((3-alpha,7-alpha,12-alpha-Trihydroxy-24-oxo-5-be ta-cholan-24-yl)amino)ethanesulfonic acid', 'N-choloyl-taurine', '2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)amino)ethanesulphonic acid', '2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid', '[3H]-taurocholate', 'HSDB 832', '[3H]taurocholic acid', '[3H]-taurocholic acid', 'EINECS 201-336-2', 'Choloyl-taurine', 'UNII-5E090O0G3Z', 'tauro-cholic acid', '3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid N-(2-sulfoethyl)amide', 'Spectrum5_002015', 'bmse000927', 'SCHEMBL3705', 'Taurocholic acid (Standard)', 'BIDD:PXR0195', 'TAUROCHOLIC ACID [MI]', 'CHEMBL224867', 'GTPL4546', 'GTPL4547', 'orb1818983', 'TAUROCHOLIC ACID [HSDB]', 'HY-B1788R', 'MSK2582', 'WBWWGRHZICKQGZ-HZAMXZRMSA-N', 'HMS2090N18', 'HY-B1788', 'BDBM50375594', 'LMST05040001', 'AKOS030242840', 'DB04348', 'Ethanesulfonic acid, 2-[[(3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-', 'MS-29575', 'CS-0013819', 'NS00002884', '3.BETA.-HYDROXYDINOR-5-CHOLENIC ACID', 'G12125', 'AB01275537-01', 'EN300-19734139', 'SR-05000001533', '3a,7a,12a-Trihydroxy-5b-cholanic acid-24-taurine', 'Q2659931', 'SR-05000001533-1', 'BRD-K81062487-001-05-8', 'WLN: L E5 B666TJ A1 DQ E1 FY1&2VM2SWQ KQ OQ', '3.alpha.,12.alpha.-Trihydroxy-5.beta.-cholanic acid 24-taurine', '2-[(3.alpha.,12.alpha.-Trihydroxy-24-oxo-5.beta.-cholan-24-yl)amino]ethanesulfonic acid', '2-(((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ETHANESULFONIC ACID', '2-[(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-4,7,11-trihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]ethane-1-sulfonic acid', '2-{[(3beta,5beta,7alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid', 'Ethanesulfonic acid,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-'] |
From Pubchem