Chenodeoxycholic Acid-3-ß-D-Glucuronide

cas: 58814-71-4 — see every product listed under this CAS number, including other names

Chenodeoxycholic Acid-3-ß-D-Glucuronide (CAS 58814-71-4) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC4213
cas58814-71-4
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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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

Identity
Molecular formulaC30H48O10
Molecular weight568.7 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
InChIKeyGDNGOAUIUTXUES-BWGRGVIUSA-N
SMILESC[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)

Synonyms: Chenodeoxycholic acid 3-glucuronide, 3alpha,6alpha-dihydroxy-5beta-cholan-24-oic acid 3-D-glucuronide, orb2283312, 3alpha-(beta-D-glucopyranuronosyloxy)-7alpha-hydroxy-5beta-cholan-24-oic acid, Chenodeoxycholic Acid-3-|A-D-glucuronide, chenodeoxycholic acid 3-beta-D-glucuronide, chenodeoxycholic acid 3-O-(beta-D-glucuronide)
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-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]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid C30H48O10

Also listed as

Chenodeoxycholic acid-3-beta-D-glucuronide, >95% (HPLC) TRC CAS 58814-71-4
Chenodeoxycholic Acid 3–Glucuronide GLPBio CAS 58814-71-4
Chenodeoxycholic acid 3-glucuronide, 99.9% MedChemExpress CAS 58814-71-4