Products 401-10-5

CAS 401-10-5 appears in our catalog under these names: Tretinoin Glucuronide, all–trans Retinoyl β–D–Glucuronide. Offered by: Chemat Brand, GLPBio. Available pack sizes: on request, 2mg.

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

1-O-all-trans-retinoyl-beta-glucuronic acid is a retinoid that is retinoic acid in which the carboxy proton has been replaced by a beta-D-glucuronyl residue. It has a role as a human metabolite. It is a retinoid and a member of glucuronic acids. It is functionally related to an all-trans-retinoic acid. It is a conjugate acid of a 1-O-(all-trans-retinoyl)-beta-D-glucuronate.

Source: ChEBI

Identity
Molecular formulaC26H36O8
Molecular weight476.6 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyMTGFYEHKPMOVNE-NEFMKCFNSA-N
SMILESCC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)/C)/C

Computed by PubChem (NCBI)