Taurolithocholic acid 3-glucuronide
From DrugPedia: A Wikipedia for Drug discovery
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[edit] Description
(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid is a natural human metabolite of Taurolithocholic acid generated in the liver by UDP glucuonyltransferase.Glucuronidation is used to assist in the excretion of toxic substances, drugs or other substances that cannot be used as an energy source. Glucuronic acid is attached via a glycosidic bond to the substance, and the resulting glucuronide, which has a much higher water solubility than the original substance, is eventually excreted by the kidneys.
[edit] General Properties
*Molecular Weight 659.83
*Molecular Formula
C32H53NO11S
*IUPAC NAME
(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl b-D-glucopyranosiduronic acid
*Canonical Smiles
CC(CCC(=O)NCCS(O)(=O)=O)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OC1OC(C(O)C(O)C1O)C(O)=O
*Isomeric Smiles
C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(CC[C@]4(C)[C@H]3CC[C@]12C)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
[edit] PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility
[edit] External Links
- [1]Human Metabolome DataBase
