Lithocholic Acid 3-sulfate (sodium salt)

Lithocholic acid 3-sulfate is a metabolite of the secondary bile acid lithocholic acid (Cay-20253). It is water soluble and the primary form of lithocholic acid in the bile duct. Lithocholic acid 3-sulfate forms a complex with calcium in vitro. Biliary secretion of lithocholic acid 3-sulfate is increased in a rat model of diabetes induced by streptozotocin (Cay-13104).Formal Name: (3alpha,5beta)-3-(sulfooxy)-cholan-24-oic acid, disodium salt. CAS Number: 64936-81-8. Synonyms: LCA 3-sulfate, Lithocholate 3-sulfate. Molecular Formula: C24H38O6S . 2Na. Formula Weight: 500.6. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: Methanol: 1 mg/mL, Water: 5 mg/mL. 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+]. InChi Code: 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.