Molecule ID: 139291711

IUPAC Name: methyl (5Z,7E,11Z,14Z)-9-hydroperoxy-20-hydroxyicosa-5,7,11,14-tetraenoate

Description: The molecule is a hydroperoxy fatty ester resulting from the formal condensation of the carboxy group of (5Z,7E,11Z,14Z)-9-hydroperoxy-20-hydroxyicosa-5,7,11,14-tetraenoic acid with methanol. It is 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][Branch1][=N][C][/C][=C][\C][/C][=C][\C][C][C][C][C][O][O][O]

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

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