Molecule ID: 91820303

IUPAC Name: (4Z,7S,8E,10Z,13Z,15E,17R,19Z)-7-hydroperoxy-17-hydroxydocosa-4,8,10,13,15,19-hexaenoic acid

Description: The molecule is a hydroperoxy fatty acid that is (4Z,8E,10Z,13Z,15E,19Z)-docosa-4,8,10,13,15,19-hexaenoic acid carrying a hydroperoxy group at the 7S-position and a hydroxy group at the 17R-position. It is an intermediate involved in the resolvin D1 biosynthesis pathway. It has a role as a metabolite. It is a hydroxydocosahexaenoic acid and a hydroperoxy fatty acid.

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

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

InChI: InChI=1S/C22H32O5/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(27-26)18-13-9-14-19-22(24)25/h3,5-13,16-17,20-21,23,26H,2,4,14-15,18-19H2,1H3,(H,24,25)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21-/m1/s1

Molecular Properties:
- Polar Surface Area: 87.0 Ų
- LogP: 4.0