化学式

CAS号

81-24-3

IUPAC Name

2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-三羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-环戊并[a]菲-17-基]丁酰基]氨基]乙磺酸 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

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C

别名

• TAUROCHOLIC ACID
• Taurocholate
• Cholyltaurine
• Cholaic acid
• 81-24-3
• N-Choloyltaurine
• Cholic acid taurine conjugate
• Taurine, N-choloyl-
• Acidum cholatauricum
• Taurine Cholate
• UNII-5E090O0G3Z
• C26H45NO7S
• HSDB 832
• 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid 24-taurine
• NSC25505
• EINECS 201-336-2
• NSC 25505
• Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-
• 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid
• 2-((3-alpha,7-alpha,12-alpha-Trihydroxy-24-oxo-5-be ta-cholan-24-yl)amino)ethanesulfonic acid
• 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
• CHEBI:28865
• 5E090O0G3Z
• N-choloyl-taurine
• 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)amino)ethanesulphonic acid
• ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-
• Sodium taurocholate hydrate
• N-(3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholan-24-oyl)-taurine
• 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid
• [3H]-taurocholate
• [3H]taurocholic acid
• [3H]-taurocholic acid
• Ethanesulfonic acid, 2-[[(3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-
• Choloyl-taurine
• 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
• 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid N-(2-sulfoethyl)amide
• Spectrum5_002015
• bmse000927
• SCHEMBL3705
• BIDD:PXR0195
• Taurine, N-choloyl- (8CI)
• CHEMBL224867
• GTPL4546
• GTPL4547
• CTK8G3310
• DTXSID00883259
• HMS2090N18
• ZINC8214684
• 6740AF
• BDBM50375594
• LMST05040001
• NSC-25505
• AKOS030242840
• DB04348
• LS-177599
• T-1150
• AB01275537-01
• SR-05000001533
• 3a,7a,12a-Trihydroxy-5b-cholanic acid-24-taurine
• Q2659931
• SR-05000001533-1
• UNII-JIY1ILR284 component WBWWGRHZICKQGZ-HZAMXZRMSA-N
• 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-{[(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]-