Taurallocholic acid

From DrugPedia: A Wikipedia for Drug discovery

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

[edit] Description

Show 3-D Structure

An ethanesulfonic acid derivative of Cholane. Tauroallocholic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The distinction between different bile acids is minute, depends only on presence or absence of hydroxyl groups on positions 3, 7, and 12.

[edit] General Properties

*Molecular Weight

515.7

*Molecular Formula

C₂₆H₄₅NO₇S

*IUPAC NAME

2-[[(3a,5a,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-Ethanesulfonic acid

*Canonical Smiles

CC(CCC(=O)NCCS(O)(=O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

*Isomeric Smiles

C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CCC2C3[C@H](O)C[C@H]4C[C@H](O)CC[C@]4(C)C3C[C@H](O)[C@]12C

[edit] PhysioChemical Properties

*Melting Point

*LogP

*Water Solubility

[edit] External Links

• [1]Human Metabolome DataBase