Molecule ID: 139291710

IUPAC Name: methyl (5Z,8Z,10E,14Z)-12-hydroperoxy-20-hydroxyicosa-5,8,10,14-tetraenoate

Description: The molecule is a hydroperoxy fatty ester that is the methyl ester of 12-hydroperoxy-20-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoic acid. It is a polyunsaturated fatty ester, a hydroperoxy fatty ester, a fatty acid methyl ester and an omega-hydroxy fatty ester.

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

SELFIES: [C][O][C][=Branch1][C][=O][C][C][C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][#Branch2][C][/C][=C][\C][C][C][C][C][O][O][O]

InChI: InChI=1S/C21H34O5/c1-25-21(23)18-14-10-5-3-2-4-8-12-16-20(26-24)17-13-9-6-7-11-15-19-22/h3-5,8-9,12-13,16,20,22,24H,2,6-7,10-11,14-15,17-19H2,1H3/b5-3-,8-4-,13-9-,16-12+

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