Molecule ID: 126456463

IUPAC Name: (9Z,12Z)-11-hydroxyoctadeca-9,12-dienoate

Description: The molecule is a HODE(1-) that is the conjugate base of (9Z,12Z)-11-hydroxyoctadecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It derives from a linoleate. It is a conjugate base of a (9Z,12Z)-11-hydroxyoctadecadienoic acid.

SMILES: CCCCC/C=C\C(O)/C=C\CCCCCCCC(=O)[O-]

SELFIES: [C][C][C][C][C][/C][=C][\C][Branch1][C][O][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C18H32O3/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18(20)21/h11-12,14-15,17,19H,2-10,13,16H2,1H3,(H,20,21)/p-1/b14-11-,15-12-

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 6.1