Products 142780-61-8
CAS 142780-61-8 is the registry number for Lithocholic Acid 24-Ac-O-beta-D-Glucuronide, >95% (HPLC). Offered by: TRC. Available pack sizes: 0,5mg, 1mg, 2mg.
Lithocholic acid 24-O-(beta-D-glucuronide) is a steroid glucosiduronic acid obtained by formal condensation of the carboxy group of lithodeoxycholic acid with the anomeric hydroxy group of beta-D-glucuronic acid. It has a role as a human urinary metabolite. It is a beta-D-glucosiduronic acid, a steroid glucosiduronic acid and an O-acyl carbohydrate. It is functionally related to a lithocholic acid. It is a conjugate acid of a lithocholic acid 24-O-(beta-D-glucuronide)(1-).
Source: ChEBI
| Molecular formula | C30H48O9 |
|---|---|
| Molecular weight | 552.7 g/mol |
| IUPAC name | (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]oxyoxane-2-carboxylic acid |
| InChIKey | YRGNGOBHHWKRFH-VYACWCJYSA-N |
| SMILES | C[C@H](CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@H](C5)O)C)C |
Computed by PubChem (NCBI)
Synonyms:
Lithocholic Acid 24-Ac-O-beta-D-Glucuronide, Lithocholic Acid 24-Ac-O-?-D-Glucuronide, Lithocholic acid 24-glucuronide, lithocholic acid 24-glucuronic acid, lithocholic acid 24-beta-glucuronide, lithocholic acid 24-beta-D-glucuronide, lithocholic acid 24-O-(beta-D-glucuronide), 1-O-(3alpha-hydroxy-24-oxo-5beta-cholan-24-yl)-beta-D-glucopyranuronic acid, 1-O-[(3alpha,5beta)-3-hydroxy-24-oxocholan-24-yl]-beta-D-glucopyranuronic acid