化学式

CAS号

516-90-5

IUPAC Name

2-[4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-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]戊酰氨基]乙磺酸 2-[4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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

InChI

InChI=1S/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)/t17?,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1

InChI Key

QBYUNVOYXHFVKC-JIOVCDOMSA-N

Canonical SMILES

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C

别名

• Lithocholyltaurine
• Taurolithocholic acid (6CI,7CI)
• Lithocholic acid taurine conjugate
• 2-(((3-alpha,5-beta)-3-Hydroxy-24-oxocholan-24-yl)amino)ethanesulfonic acid
• Ethanesulfonic acid, 2-(((3-alpha,5-beta)-3-hydroxy-24-oxocholan-24-yl)amino)-
• Ethanesulfonic acid, 2-(((3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl)amino)-
• SCHEMBL18762171
• LS-65666
• Taurine, N-(3-alpha-hydroxy-5-beta-cholan-24-oyl)-
• Taurine, N-(3-alpha-hydroxy-5-beta-cholan-24-oyl)- (8CI)