Molecule ID: 5287424

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

Description: The molecule is the (R)-enantiomer of 13-HPODE It derives from an octadeca-9,11-dienoic acid. It is a conjugate acid of a 13(R)-HPODE(1-). It is an enantiomer of a 13(S)-HPODE.

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

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

InChI: InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)/b9-7-,15-12+/t17-/m1/s1

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.4