Molecule ID: 5282947

IUPAC Name: (9Z,11E)-13-hydroxyoctadeca-9,11-dienoic acid

Description: The molecule is a HODE that consists of 9Z,11E-octadecadienoic acid carrying a 13-hydroxy substituent. It has a role as a metabolite. It is a conjugate acid of a 13-HODE(1-).

SMILES: CCCCCC(O)/C=C/C=C\CCCCCCCC(=O)O

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

InChI: InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 5.3