Molecule ID: 139036273

IUPAC Name: (11Z,13E,15S)-15-hydroperoxyicosa-11,13-dienoate

Description: The molecule is a hydroperoxy polyunsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (15S)-hydroperoxy-(11Z,13E)-icosadienoic acid. Major species at pH 7.3. It is a conjugate base of a (15S)-hydroperoxy-(11Z,13E)-icosadienoic acid.

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

SELFIES: [C][C][C][C][C][C@@H1][Branch2][Ring1][Ring1][/C][=C][/C][=C][\C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1][O][O]

InChI: InChI=1S/C20H36O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h9,11,14,17,19,23H,2-8,10,12-13,15-16,18H2,1H3,(H,21,22)/p-1/b11-9-,17-14+/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 7.1