Products 75239-91-7
CAS 75239-91-7 appears in our catalog under these names: Lithocholic Acid 3-O-Glucuronide, >95% (HPLC), Lithocholic acid 3-o-glucuronide. Offered by: TRC, Biosynth. Available pack sizes: 10mg, 1mg, 5mg, 25mg, 50mg.
Lithocholic acid 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is lithocholic acid having a single beta-D-glucuronic acid residue attached at position 3. It has a role as a human urinary metabolite and a rat metabolite. It is a beta-D-glucosiduronic acid, a steroid glucosiduronic acid and a dicarboxylic acid. It is functionally related to a lithocholic acid. It is a conjugate acid of a lithocholate 3-O-(beta-D-glucuronide)(2-).
Source: ChEBI
| Molecular formula | C30H48O9 |
|---|---|
| Molecular weight | 552.7 g/mol |
| IUPAC name | (2S,3S,4S,5R,6R)-6-[[(3R,5R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid |
| InChIKey | GIQXKAXWRLHLDD-VYACWCJYSA-N |
| 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)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C |
Computed by PubChem (NCBI)
Synonyms:
Lithocholic acid 3-glucuronide, Lithocholate 3-O-glucuronide, Lithocholate 3-O-beta-D-glucuronide, Lithocholic acid glucuronide, 3alpha-hydroxy-5beta-cholan-24-oic acid 3-beta-D-glucopyranuronoside, 3alpha-(beta-D-glucopyranuronosyloxy)-5beta-cholan-24-oic acid, Lithocholic acid 3-O-glucuronide, 24-hydroxy-24-oxo-5beta-cholan-3alpha-yl beta-D-glucopyranosiduronic acid, lithocholic acid 3-beta-glucuronide, lithocholic acid 3-beta-D-glucuronide