Molecule ID: 122391316

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

Description: The molecule is a docosanoid that is (4Z,7Z,11E,13Z,16Z,19Z)-docosahexaenoic acid carrying a hydroperoxy substituent at position 10. It is a docosanoid, a hydroperoxy fatty acid and a long-chain fatty acid. It derives from an all-cis-docosa-4,7,10,13,16,19-hexaenoic acid. It is a conjugate acid of a (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoate.

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][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)/b4-3-,7-6-,12-9-,14-11-,16-13-,18-15+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.1