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CAS 64936-81-8

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lithocholic acid 3-sulfate sodium

Description:
Lithocholic acid 3-sulfate sodium, with the CAS number 64936-81-8, is a bile acid derivative that plays a role in the metabolism of lipids and the absorption of dietary fats. It is a sodium salt of lithocholic acid, which is a naturally occurring bile acid produced in the liver from cholesterol. This compound is characterized by its sulfate group, which enhances its solubility in water compared to its parent acid. Lithocholic acid 3-sulfate sodium is typically found in the bile and is involved in the emulsification of fats in the digestive system. Its structure includes a steroid nucleus with hydroxyl groups and a sulfate moiety, contributing to its biological activity. The compound is of interest in various fields, including biochemistry and pharmacology, due to its potential implications in metabolic disorders and its role in signaling pathways. Additionally, it may exhibit various physiological effects, including influencing gut microbiota and modulating inflammation.
Formula:C24H40Na2O7S
InChI:InChI=1/C24H40O6S.2Na.H2O/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);;;1H2/q;2*+1;/p-2/t15-,16-,17-,18+,19-,20+,21+,23+,24-;;;/m1.../s1
InChI key:CDTNUTIRRLVRHG-PBICEZGRSA-L
SMILES:C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C.O.[Na+].[Na+]
Synonyms:
  • Disodium (3Α,5Β)-3-(Sulfonatooxy)Cholan-24-Oate Hydrate
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