Products 67030-54-0

CAS 67030-54-0 appears in our catalog under these names: Glycochenodeoxycholic Acid 3-Sulfate, Glycochenodeoxycholic acid 3-sulfate, 99.11%. Offered by: Chemat Brand, MedChemExpress. Available pack sizes: on request, Get quote.

Structural formula: {0} (CAS {1})

Sulfoglycochenodeoxycholic acid is a steroid sulfate that is the 3-O-sulfo derivative of glycochenodeoxycholic acid. It has a role as a metabolite. It is a steroid sulfate, a bile acid glycine conjugate and a 7alpha-hydroxy steroid. It is functionally related to a glycochenodeoxycholic acid. It is a conjugate acid of a glycochenodeoxycholate 3-sulfate(2-).

Source: ChEBI

Identity
Molecular formulaC26H43NO8S
Molecular weight529.7 g/mol
IUPAC name2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
InChIKeyDKXXSIJHWWVNMO-GYPHWSFCSA-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)OS(=O)(=O)O)C)O)C

Computed by PubChem (NCBI)