Molecule ID: 139036272

IUPAC Name: (8Z,11Z,13E,15S)-15-hydroperoxyicosa-8,11,13-trienoate

Description: The molecule is a hydroperoxyicosatrienoate resulting from the deprotonation of the carboxy group of (8Z,11Z,13E,15S)-15-hydroperoxyicosa-8,11,13-trienoic acid. The major species at pH 7.3. It is a conjugate base of an (8Z,11Z,13E,15S)-15-hydroperoxyicosa-8,11,13-trienoic acid.

SMILES: CCCCC[C@@H](/C=C/C=C\C/C=C\CCCCCCC(=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/C20H34O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,9,11,14,17,19,23H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,21,22)/p-1/b5-4-,11-9-,17-14+/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 6.4