Taurochenodeoxycholic Acid

From DrugPedia: A Wikipedia for Drug discovery

Contents 1 Description 2 General Properties 3 PhysioChemical Properties 4 External Links

Description

A bile salt formed in the liver by conjugation of chenodeoxycholate with taurine, usually as the sodium salt. It acts as detergent to solubilize fats in the small intestine and is itself absorbed. It is used as a cholagogue and choleretic.

General Properties

*Molecular Weight

499.7

*Molecular Formula

C₂₆H₄₅NO₆S

*IUPAC NAME

2-[4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoylamino]ethanesulfonic acid

*Canonical Smiles

CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

*Isomeric Smiles

CC(CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

External Links

• [1]Pubchem
• [2]KEGG Compound
• [3]Human Metabolome DataBase

Categories:Hormones