Names and Identifiers
-
- TAUROCHOLIC ACID
- 2-((3-alpha,7-alpha,12-alpha-trihydroxy-24-oxo-5-beta-cholan-24-yl)amino)ethan
- 3,7,12-Trihydroxy-5-cholan-24-oicacid24-taurineamide
- cholicacidtaurineconjugate
- cholyltaurine
- Cholytaurine
- ethanesulfonicacid,2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxo
- 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-[[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-
- TAUROCHOLICACID
- 3.alpha.,12.alpha.-Trihydroxy-5.beta.-cholanic acid 24-taurine
- 2-[(3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid
- 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)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
- DTXSID00883259
- CHEBI:28865
- bmse000927
- NSC 25505
- 2-((3-alpha,7-alpha,12-alpha-Trihydroxy-24-oxo-5-be ta-cholan-24-yl)amino)ethanesulfonic acid
- GTPL4547
- T-1150
- 3.BETA.-HYDROXYDINOR-5-CHOLENIC ACID
- EINECS 201-336-2
- 81-24-3
- NSC-25505
- [3H]taurocholic acid
- 2-{[(3Alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
- 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid 24-taurine
- 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid N-(2-sulfoethyl)amide
- NSC25505
- HMS2090N18
- WLN: L E5 B666TJ A1 DQ E1 FY1&2VM2SWQ KQ OQ
- Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)amino)-
- BIDD:PXR0195
- Taurocholate
- TAUROCHOLIC ACID [HSDB]
- HSDB 832
- GTPL4546
- CHEMBL224867
- AKOS030242840
- 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
- N-choloyl-taurine
- MS-29575
- Choloyl-taurine
- 2-[(3.alpha.,12.alpha.-Trihydroxy-24-oxo-5.beta.-cholan-24-yl)amino]ethanesulfonic acid
- SCHEMBL3705
- Cholaic acid
- UNII-5E090O0G3Z
- N-(3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholan-24-oyl)-taurine
- N-Choloyltaurine
- Spectrum5_002015
- LMST05040001
- EN300-19734139
- Cholic acid taurine conjugate
- SR-05000001533-1
- DB04348
- AB01275537-01
- SR-05000001533
- TAUROCHOLIC ACID [MI]
- [3H]-taurocholate
- BDBM50375594
- Taurine, N-choloyl-
- Sodium taurocholate hydrate
- NS00002884
- Ethanesulfonic acid, 2-[[(3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-
- Ethanesulfonic acid,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-
- Taurocholic acid sodium salt hydrate
- 2-(((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ETHANESULFONIC ACID
- 5E090O0G3Z
- 3a,7a,12a-Trihydroxy-5b-cholanic acid-24-taurine
- [3H]-taurocholic acid
- 2-(((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)amino)ethanesulphonic acid
- Acidum cholatauricum
- 2-{[(3beta,5beta,7alpha,12alpha,14beta,17alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid
- CS-0013819
- HY-B1788
- Q2659931
- Taurine Cholate
- ethanesulfonic acid, 2-[[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-
- BRD-K81062487-001-05-8
- G12125
- WBWWGRHZICKQGZ-HZAMXZRMSA-N
- tauro-cholic acid
-
- MDL: MFCD00053458
- 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
- SMILES: S(CCNC(CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@@H]([C@@]21C)O)O)O)=O)(=O)(=O)O
Computed Properties
-
- Exact Mass: 515.29200
- Monoisotopic Mass: 404.119463
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 35
- Rotatable Bond Count: 8
- Complexity: 571
-
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 76.9
Experimental Properties
-
- Color/Form: Powder
- Density: 1.0902 (rough estimate)
- Melting Point: 125°C (rough estimate)
- Refractive Index: 1.5650 (estimate)
-
- PSA: 152.54000
- LogP: 3.83980
- pka: 1.4(at 25℃)
- Specific Rotation: D18 +38.8° (c = 2 in alcohol)

