Molecule ID: 132472339

IUPAC Name: (8E,10Z,13Z,15E,19Z)-7,17-dihydroperoxydocosa-8,10,13,15,19-pentaenoate

Description: The molecule is a docosanoid anion that is the conjugate base of (8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion and a long-chain fatty acid anion. It is a conjugate base of an (8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosapentaenoic acid.

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

SELFIES: [C][C][/C][=C][\C][C][Branch2][Ring1][=Branch2][/C][=C][/C][=C][\C][/C][=C][\C][=C][\C][Branch1][O][C][C][C][C][C][C][=Branch1][C][=O][O-1][O][O][O][O]

InChI: InChI=1S/C22H34O6/c1-2-3-10-15-20(27-25)16-11-7-5-4-6-8-12-17-21(28-26)18-13-9-14-19-22(23)24/h3,5-8,10-12,16-17,20-21,25-26H,2,4,9,13-15,18-19H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,10-3-,16-11+,17-12+

Molecular Properties:
- Polar Surface Area: 99.0 Ų
- LogP: 5.1