Taurochenodeoxycholic acid
Impurity
This molecule is a impurity of Chenodeoxycholic Acid.
Impurity
Taurochenodeoxycholic acid
Cat. No. ANTPRD13668CAS 516-35-8Please EnquireSynthesized
Technical Data
Cat. No.ANTPRD13668
CAS516-35-8
Mol. FormulaC26H45NO6S
Mol. Weight499.714 g/mol
IUPAC2-[[(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
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChIInChI=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 KeyBHTRKEVKTKCXOH-BJLOMENOSA-N
Description
Overview
Taurochenodeoxycholic acid, Chenodeoxycholic Acid, 516-35-8, 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
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Synonyms
TAUROCHENODEOXYCHOLIC ACIDTaurochenodesoxycholic acidChenodeoxycholyltaurineTCDCAChenodeoxycholoyltaurineCHEBI:165252-[[(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 acidN-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)-taurineEthanesulfonic acid, 2-(((3alpha,5beta,7alpha)-3,7-dihydroxy-24-oxocholan-24-yl)amino)-Chenodeoxycholate, Taurine