Molecule ID: 122198254

IUPAC Name: (4Z,7Z,10Z,12E,16Z)-14-hydroperoxydocosa-4,7,10,12,16-pentaenoic acid

Description: The molecule is a docosanoid that is (4Z,7Z,10Z,12E,16Z)-docosapentaenoic acid carrying a hydroperoxy substituent at position 14. It is a docosanoid, a hydroperoxy fatty acid and a long-chain fatty acid. It derives from a (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid. It is a conjugate acid of a (4Z,7Z,10Z,12E,16Z)-14-hydroperoxydocosapentaenoate.

SMILES: CCCCC/C=C\CC(/C=C/C=C\C/C=C\C/C=C\CCC(=O)O)OO

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

InChI: InChI=1S/C22H34O4/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/h6-7,10-16,19,21,25H,2-5,8-9,17-18,20H2,1H3,(H,23,24)/b7-6-,13-10-,14-11-,15-12-,19-16+

Molecular Properties:
- Polar Surface Area: 66.8 Ų
- LogP: 5.8