Molecule ID: 132472324

IUPAC Name: (14E,19Z)-7,16,17-trihydroxydocosa-8,10,12,14,19-pentaenoic acid

Description: The molecule is a docosanoid that is (14E,19Z)-docosa-8,10,12,14,19-pentaenoic acid carrying three hydroxy substituents at positions 7, 16 and 17. An intermediate of specialised proresolving mediators It has a role as a specialised pro-resolving mediator and a human xenobiotic metabolite. It is a docosanoid and a hydroxy polyunsaturated fatty acid. It is a conjugate acid of a 7,16,17-trihydroxy-(14E,19Z)-docosa-8,10,12,14,19-pentaenoate.

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

SELFIES: [C][C][/C][=C][\C][C][Branch1][C][O][C][Branch1][C][O][/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/C22H34O5/c1-2-3-9-16-20(24)21(25)17-12-7-5-4-6-10-14-19(23)15-11-8-13-18-22(26)27/h3-7,9-10,12,14,17,19-21,23-25H,2,8,11,13,15-16,18H2,1H3,(H,26,27)/b6-4?,7-5?,9-3-,14-10?,17-12+

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 3.4