Molecule ID: 72205181

IUPAC Name: (4Z,7Z,10Z,13Z,15E,17S)-17-hydroxydocosa-4,7,10,13,15-pentaenoic acid

Description: The molecule is a hydroxydocosapentaenoic acid that is (4Z,7Z,10Z,13Z,15E)-docosapentaenoic acid in which the hydroxy group is located at the 17S-position. The 17S-oxygenated product of omega-6-DPA which possesses anti-inflammatory activity. It has a role as a human xenobiotic metabolite. It is a hydroxydocosapentaenoic acid and a secondary allylic alcohol.

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

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

InChI: InChI=1S/C22H34O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h5-8,11-14,16,19,21,23H,2-4,9-10,15,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,19-16+/t21-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 5.6