Lithocholic Acid 3-sulfate (sodium salt)

A metabolite of lithocholic acid

Catalog Number 20676
Alternative Name(s) LCA 3-sulfate|Lithocholate 3-sulfate
Research Area Diabetes|Endocrinology & Metabolism|Metabolic Diseases
Molecular Formula C24H38O6S • 2Na
CAS# 64936-81-8
Purity 98%
Inchi InChI=1S/C24H40O6S.2Na/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3;;/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29);;/q;2*+1/p-2/t15-,16-,17-,18+,19-,20+,21+,23+,24-;;/m1../s1
Inchi Key KFMFANFNCYFOLB-WLYWKNFRSA-L
SMILES [O-]C(CC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](OS([O-])(=O)=O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C)=O.[Na+].[Na+]
Size 50 mg
Supplier Page https://www.caymanchem.com/product/20676