Products 79254-98-1

CAS 79254-98-1 is the registry number for Glycochenodeoxycholic Acid 3-Glucuronide. Offered by: Chemat Brand, MedChemExpress. Available pack sizes: on request, Get quote.

Glycochenodeoxycholic Acid 3-Glucuronide
Chemat Brand, MedChemExpress
  • size: on request, Get quote
  • Variants: 2
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Structural formula: {0} (CAS {1})

Glycochenodeoxycholic acid 3-glucuronide is a steroid glucosiduronic acid.

Source: ChEBI

Identity
Molecular formulaC32H51NO11
Molecular weight625.7 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-[(2R)-5-(carboxymethylamino)-5-oxopentan-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
InChIKeyABFZMYIIUREPLL-ASWJIRIHSA-N
SMILESC[C@H](CCC(=O)NCC(=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: Glycochenodeoxycholic acid 3-glucuronide, N-(3alpha,7alpha-dihydroxy-5beta-cholan-24-oyl)-glycine 3-D-glucuronide, Glycochenodeoxycholate 3-glucuronide, orb2564132