Molecule ID: 21158511

IUPAC Name: (9Z,12Z)-2-hydroxyoctadeca-9,12-dienoic acid

Description: The molecule is a 2-hydroxy fatty acid derived from linoleic acid. It has a role as an Arabidopsis thaliana metabolite, an antineoplastic agent, a PPARalpha agonist and a PPARgamma agonist. It is a 2-hydroxy fatty acid, a long-chain fatty acid and a HODE. It derives from a linoleic acid.

SMILES: CCCCC/C=C\C/C=C\CCCCCCC(O)C(=O)O

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

InChI: InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h6-7,9-10,17,19H,2-5,8,11-16H2,1H3,(H,20,21)/b7-6-,10-9-

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 5.8