Molecule ID: 53477501

IUPAC Name: (4Z,7Z,10Z,13Z,15E,17R,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoic acid

Description: The molecule is a docosanoid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying a hydroperoxy substituent at position 17R. 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.

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

SELFIES: [C][C][/C][=C][\C][C@H1][Branch2][Ring1][Branch1][/C][=C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][=Branch1][C][=O][O][O][O]

InChI: InChI=1S/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m1/s1

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