Molecule ID: 132472325

IUPAC Name: (8Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic acid

Description: The molecule is a dihydroxydocosapentaenoic acid (DiHDPE) that is (8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoic acid carrying two hydroxy substituents at positions 7 and 17. An intermediate of specialized proresolving mediators It has a role as a specialised pro-resolving mediator and a human xenobiotic metabolite. It is a conjugate acid of a 7,17-dihydroxy-(8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoate.

SMILES: CC/C=C\CC(O)/C=C/C=CCC=C/C=C\C(O)CCCCCC(=O)O

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

InChI: InChI=1S/C22H34O4/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(24)18-13-9-14-19-22(25)26/h3,5-8,10-12,16-17,20-21,23-24H,2,4,9,13-15,18-19H2,1H3,(H,25,26)/b7-5?,8-6?,10-3-,16-11+,17-12-

Molecular Properties:
- Polar Surface Area: 77.8 Ų
- LogP: 4.3