Products 94161-11-2

CAS 94161-11-2 is the registry number for Hepoxilin A3. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

Hepoxilin A3 is a hepoxilin having (5Z,9E,14Z) double bond stereochemistry, an 8-hydroxy substituent and an 11S,12S-epoxy group. It has a role as a human xenobiotic metabolite and a rat metabolite. It is a hydroxy polyunsaturated fatty acid, a long-chain fatty acid, a hepoxilin and an epoxy fatty acid. It is functionally related to a (5Z,9E,14Z)-icosa-5,9,14-trienoic acid. It is a conjugate acid of a hepoxilin A3(1-).

Source: ChEBI

Identity
Molecular formulaC20H32O4
Molecular weight336.5 g/mol
IUPAC name(5Z,9E)-8-hydroxy-10-[(2S,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,9-dienoic acid
InChIKeySGTUOBURCVMACZ-SEVPPISGSA-N
SMILESCCCCC/C=C\C[C@H]1[C@@H](O1)/C=C/C(C/C=C\CCCC(=O)O)O

Computed by PubChem (NCBI)