CAS 58814-71-4 appears in our catalog under these names: Chenodeoxycholic Acid-3-ß-D-Glucuronide, Chenodeoxycholic acid-3-beta-D-glucuronide, >95% (HPLC), Chenodeoxycholic Acid 3–Glucuronide, Chenodeoxycholic acid 3-glucuronide, 99.9%. Offered by: Chemat Brand, TRC, GLPBio, MedChemExpress. Available pack sizes: on request, 50mg, 5mg, 1mg, 500μg, 5 mg, 10 mg, 1 mg.
Chenodeoxycholic acid 3-O-(beta-D-glucuronide) is a steroid glucosiduronic acid that is chenodeoxycholic acid having a single beta-D-glucuronic acid residue attached at position 3. It has a role as a human urinary metabolite. It is a beta-D-glucosiduronic acid, a steroid glucosiduronic acid and a dicarboxylic acid. It is functionally related to a chenodeoxycholic acid. It is a conjugate acid of a chenodeoxycholate 3-O-(beta-D-glucuronide)(2-).
Source: ChEBI
| Molecular formula | C30H48O10 |
|---|---|
| Molecular weight | 568.7 g/mol |
| IUPAC name | (2S,3S,4S,5R,6R)-6-[[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-carboxybutan-2-yl]-7-hydroxy-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 | GDNGOAUIUTXUES-BWGRGVIUSA-N |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[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)O)C |
Computed by PubChem (NCBI)