Molecule ID: 132282532

IUPAC Name: 6-[3-[(1E,3E,5Z,7E,11Z)-9-hydroxytetradeca-1,3,5,7,11-pentaenyl]oxiran-2-yl]hexanoic acid

Description: The molecule is a docosanoid that is (9E,11E,13Z,15E,19Z)-docosapentaenoic acid carrying an epoxy group across positions 7 and 8 as well as a hydroxy substituent at position 17. An intermediate of specialised proresolving mediators. It has a role as a human xenobiotic metabolite. It is an epoxy fatty acid, a docosanoid, a long-chain fatty acid and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a 7,8-epoxy,17-hydroxy-(9E,11E,13Z,15E,19Z)-docosapentaenoate.

SMILES: CC/C=C\CC(O)/C=C/C=C\C=C\C=C\C1OC1CCCCCC(=O)O

SELFIES: [C][C][/C][=C][\C][C][Branch1][C][O][/C][=C][/C][=C][\C][=C][\C][=C][\C][O][C][Ring1][Ring1][C][C][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C22H32O4/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20-21(26-20)17-12-8-13-18-22(24)25/h3-7,9-11,15-16,19-21,23H,2,8,12-14,17-18H2,1H3,(H,24,25)/b6-4-,7-5+,9-3-,15-10+,16-11+

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 4.4