化学式

CAS号

516-35-8

IUPAC Name

2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-二羟基-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,13R,14S,17R)-3,7-dihydroxy-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/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1

InChI Key

BHTRKEVKTKCXOH-BJLOMENOSA-N

Canonical SMILES

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

别名

• TAUROCHENODEOXYCHOLIC ACID
• Taurochenodeoxycholate
• 516-35-8
• Taurochenodesoxycholic acid
• Chenyltaurine
• Chenodeoxycholyltaurine
• Taurine chenodeoxycholate
• TCDCA
• Chenodeoxycholoyltaurine
• 12-Deoxycholyltaurine
• CHEMBL185878
• CHEBI:16525
• UNII-651KU15938
• 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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
• 651KU15938
• N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)-taurine
• 2-[(3a,7a-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonate
• 2-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid
• 12-Desoxycholyltaurine
• TUD
• Taurochenodesoxycholate
• n-(3a,7a-dihydroxy-5b-cholan-24-oyl)-taurine
• SCHEMBL56780
• GTPL4747
• SCHEMBL20261728
• HMS3885A10
• 2-((R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethanesulfonic acid
• HY-N2027
• ZINC5822376
• 7211AB
• BDBM50375595
• LMST05040005
• MFCD00232922
• s3865
• AKOS025290383
• CCG-269686
• CS-6329
• DB08833
• Ethanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-
• BS-16963
• NCI60_028900
• C05465
• Q7688892
• 3a,7a-Dihydroxy-N-(2-sulfoethyl)-5b-cholan-24-amide
• UNII-JIY1ILR284 component BHTRKEVKTKCXOH-BJLOMENOSA-N
• 2-([3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan24-yl]amino)ethanesulfonic acid
• 2-[(3alpha,7alpha-dihydroxy-24-oxo-5beta-cholan-24-yl)amino]ethanesulfonic acid
• 2-(((3ALPHA,5BETA,7ALPHA)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ETHANESULFONIC ACID
• TAUROCHENODEOXYCHOLATE
• 2-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]ethane-1-sulfonic acid
• 2-{[(3beta,5beta,7alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid