Molecule ID: 122391307

IUPAC Name: (8Z,11Z,14Z)-10-hydroperoxyicosa-8,11,14-trienoate

Description: The molecule is a hydroperoxyicosatrienoate that is the conjugate base of (8Z,11Z,14Z)-10-hydroperoxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroperoxyicosatrienoate and a long-chain fatty acid anion. It derives from an all-cis-icosa-8,11,14-trienoate. It is a conjugate base of an (8Z,11Z,14Z)-10-hydroperoxyicosatrienoic acid.

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

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

InChI: InChI=1S/C20H34O4/c1-2-3-4-5-6-7-10-13-16-19(24-23)17-14-11-8-9-12-15-18-20(21)22/h6-7,13-14,16-17,19,23H,2-5,8-12,15,18H2,1H3,(H,21,22)/p-1/b7-6-,16-13-,17-14-

Molecular Properties:
- Polar Surface Area: 69.6 Ų
- LogP: 6.6