Molecule ID: 132282538

IUPAC Name: (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosa-4,8,10,12,16,19-hexaenoate

Description: The molecule is a docosanoid anion that is the conjugate base of (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion, a hydroperoxy fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoic acid.

SMILES: CC/C=C\C/C=C\C[C@@H](/C=C/C=C\C=C\CC/C=C\CCC(=O)[O-])OO

SELFIES: [C][C][/C][=C][\C][/C][=C][\C][C@@H1][Branch2][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/C22H32O4/c1-2-3-4-5-12-15-18-21(26-25)19-16-13-10-8-6-7-9-11-14-17-20-22(23)24/h3-4,6,8,10-16,19,21,25H,2,5,7,9,17-18,20H2,1H3,(H,23,24)/p-1/b4-3-,8-6+,13-10-,14-11-,15-12-,19-16+/t21-/m0/s1

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