Molecule ID: 25244269

IUPAC Name: (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid

Description: The molecule is a lipid hydroperoxide, obtained by the formal substitution of a hydrogen at position 9 of (10E,12Z,15Z)-octadeca-10,12,15-trienoic acid by a hydroperoxy group. It is a conjugate acid of a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate.

SMILES: CC/C=C\C/C=C\C=C\C(CCCCCCCC(=O)O)OO

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

InChI: InChI=1S/C18H30O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h3-4,6,8,11,14,17,21H,2,5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/b4-3-,8-6-,14-11+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 4.7