Molecule ID: 139291709

IUPAC Name: methyl (5Z,9E,11Z,14Z)-8-hydroperoxy-20-hydroxyicosa-5,9,11,14-tetraenoate

Description: The molecule is a hydroperoxy fatty ester resulting from the formal condensation of the carboxy group of (5Z,9E,11Z,14Z)-8-hydroperoxy-20-hydroxyicosa-5,9,11,14-tetraenoic acid with methanol. It is a hydroperoxy fatty ester, a fatty acid methyl ester, an omega-hydroxy fatty ester and a polyunsaturated fatty ester.

SMILES: COC(=O)CCC/C=C\CC(/C=C/C=C\C/C=C\CCCCCO)OO

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

InChI: InChI=1S/C21H34O5/c1-25-21(23)18-14-10-9-13-17-20(26-24)16-12-8-6-4-2-3-5-7-11-15-19-22/h2-3,6,8-9,12-13,16,20,22,24H,4-5,7,10-11,14-15,17-19H2,1H3/b3-2-,8-6-,13-9-,16-12+

Molecular Properties:
- Polar Surface Area: 76.0 Ų
- LogP: 4.0