Molecule ID: 86290097

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

Description: The molecule is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of 12-HPETE with methanol. It is a fatty acid methyl ester and a lipid hydroperoxide. It derives from an icosa-5,9,11,14-tetraenoic acid.

SMILES: CCCCC/C=C\C/C=C\C=C\C(C/C=C\CCCC(=O)OC)OO

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

InChI: InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-11-14-17-20(25-23)18-15-12-13-16-19-21(22)24-2/h7-8,10-12,14-15,17,20,23H,3-6,9,13,16,18-19H2,1-2H3/b8-7-,11-10-,15-12-,17-14+

Molecular Properties:
- Polar Surface Area: 55.8 Ų
- LogP: 5.6