Taurocholic Acid 3-sulfate (sodium salt)

A metabolite of taurocholic acid

Catalog Number 9002538
Alternative Name(s) 3-Sulfocholyl Taurine|TCA3S
Research Area Endocrinology & Metabolism
Molecular Formula C26H43NO10S2 • 2Na
CAS# 71781-33-4
Purity 95%
Inchi InChI=1S/C26H45NO10S2.2Na/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);;/q;2*+1/p-2/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1
Inchi Key JDZGOMAYFRJNTP-NEMAEHQESA-L
SMILES C[C@H](CCC(NCCS([O-])(=O)=O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](OS([O-])(=O)=O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@@]21C.[Na+].[Na+]
Size 10 mg
Supplier Page https://www.caymanchem.com/product/9002538