Molecule ID: 56927807

IUPAC Name: (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoate

Description: The molecule is a monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 9(R)-HPODE. It is a monocarboxylic acid anion, a HPODE(1-) and a 9-HPODE(1-). It is a conjugate base of a 9(R)-HPODE. It is an enantiomer of a 9(S)-HPODE(1-).

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

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

InChI: InChI=1S/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,11,14,17,21H,2-5,7,9-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b8-6-,14-11+/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 6.0