化学式

CAS号

2958-04-5

IUPAC Name

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

InChI Key

HMXPOCDLAFAFNT-BHYUGXBJSA-N

Canonical SMILES

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C

别名

• Taurohyodeoxycholic acid
• 2958-04-5
• Taurine Hyodeoxycholate
• UNII-D6V086EMME
• D6V086EMME
• CCRIS 6480
• CHEMBL270516
• 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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
• 5-Beta-cholanic acid-3-alpha, 6-alpha-diol N-(2-sulphoethyl)-amide
• 2-(((3alpha,5beta,6alpha)-3,6-Dihydroxy-24-cholan-24-yl)amino)ethanesulfonic acid
• Ethanesulfonic acid, 2-(((3alpha,5beta,6alpha)-3,6-dihydroxy-24-oxocholan-24-yl)amino)-
• THDCA
• DTXSID10952061
• CHEBI:139138
• ZINC3927571
• 8030AH
• BDBM50375591
• LS-188289
• 3,6-Dihydroxy-N-(2-sulfoethyl)cholan-24-imidic acid
• Q27276185
• N-(3alpha,6alpha-dihydroxy-5beta-cholan-24-oyl)-taurine
• 2-((4R)-4-((3R,5R,6S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)ethane-1-sulfonic acid