CAS: 67030-59-5 - 2-{[(3alpha,5beta,7alpha,8xi,9xi,14xi)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]amino}ethanesulfonic acid

Formula: C₂₆H₄₅NO₉S₂

InChI: InChI=1S/C26H45NO9S2/c1-16(4-7-23(29)27-12-13-37(30,31)32)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(36-38(33,34)35)14-17(25)15-22(24)28/h16-22,24,28H,4-15H2,1-3H3,(H,27,29)(H,30,31,32)(H,33,34,35)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1

InChI key: InChIKey=GLVWZDCWCRWVFM-BJLOMENOSA-N

SMILES: O=C(NCCS(=O)(=O)O)CCC(C)C1CCC2C3C(O)CC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C

Taurochenodeoxycholate-3-sulfate

CAS: 67030-59-5

Taurochenodeoxycholate-3-sulfate, a bile salt, is present in urine.

• Formula: C₂₆H₄₅NO₉S₂
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 579.77

Taurochenodeoxycholate-3-sulfate

CAS: 67030-59-5

Taurochenodeoxycholate-3-sulfate is a conjugate of taurochenodeoxycholic acid and 3-sulfate. It is a bile acid that …

• Formula: C₂₆H₄₅NO₉S₂
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 579.77 g/mol