Molecule ID: 122391315

IUPAC Name: (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosa-4,7,11,13,16,19-hexaenoate

Description: The molecule is a docosanoid anion that is the conjugate base of (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3 It is a docosanoid anion, a hydroperoxy polyunsaturated fatty acid anion and a long-chain fatty acid anion. It derives from a (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate. It is a conjugate base of a (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoic acid.

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

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

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