Taurallocholic acid
From DrugPedia: A Wikipedia for Drug discovery
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Description
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.
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
PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility
External Links
- [1]Human Metabolome DataBase
