Molecule ID: 13723970

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

Description: The molecule is a 13-HODE in which the stereocentre at position 13 has S-configuration. It is a conjugate acid 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]

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+/t17-/m1/s1

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