Taurocholic Acid 3-sulfate

More details:

• Systematic name

  2-{[(3alpha,5beta,7alpha,12alpha)-7,12-Dihydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino}ethanesulfonic acid

• SMILES

  C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)O)C

• Std. InChi

  InChI=1S/C26H45NO10S2/c1-15(4-7-23(30)27-10-11-38(31,32)33)18-5-6-19-24-20(14-22(29)26(18,19)3)25(2)9-8-17(37-39(34,35)36)12-16(25)13-21(24)28/h15-22,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32,33)(H,34,35,36)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1

• Std. InChIKey

  LKTXOQJJFLAZRW-HZAMXZRMSA-N

• Cite this record

  CSID:24850143, http://www.chemspider.com/Chemical-Structure.24850143.html (accessed 14:57, May 29, 2024)