Molecule ID: 45266713

IUPAC Name: (8R,9Z,12Z)-8-hydroperoxyoctadeca-9,12-dienoate

Description: The molecule is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 8(R)-HPODE. The major species at pH 7.3. It is a monocarboxylic acid anion and a HPODE(1-). It is a conjugate base of an 8(R)-HPODE.

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

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

InChI: InChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-11-14-17(22-21)15-12-9-10-13-16-18(19)20/h6-7,11,14,17,21H,2-5,8-10,12-13,15-16H2,1H3,(H,19,20)/p-1/b7-6-,14-11-/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 5.8