Molecule ID: 51405080

IUPAC Name: (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoate

Description: The molecule is a hydroxy fatty acid anion that is the conjugate base of 13(S)-HODE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is a conjugate base of a 13(S)-HODE. It is an enantiomer of a 13(R)-HODE(1-).

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

SELFIES: [C][C][C][C][C][C@H1][Branch1][C][O][/C][=C][/C][=C][\C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

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)/p-1/b9-7-,15-12+/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 6.0