Molecule ID: 86290091

IUPAC Name: (8Z,10E,14Z)-12-hydroperoxyicosa-8,10,14-trienoate

Description: The molecule is a polyunsaturated fatty acid anion that is the conjugate base of 12-HPE(8,10,14)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an icosanoid anion, a hydroperoxy fatty acid anion, a long-chain fatty acid anion, a polyunsaturated fatty acid anion and a hydroperoxyicosatrienoate. It is a conjugate base of a 12-HPE(8,10,14)TrE.

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

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

InChI: InChI=1S/C20H34O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h8,10-11,13-14,17,19,23H,2-7,9,12,15-16,18H2,1H3,(H,21,22)/p-1/b11-8-,13-10-,17-14+

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