Molecule ID: 86583344

IUPAC Name: (5Z,9E,12R,14Z)-8,11,12,20-tetrahydroxyicosa-5,9,14-trienoic acid

Description: The molecule is an icosanoid that is (5Z,9E,14Z)-icosa-5,9,14-trienoic acid carrying four hydroxy substituents at positions 8, 11, 12 and 20. An intermediary metabolite from the 12(R)-lipoxygenase pathway. It has a role as a human metabolite. It is a long-chain fatty acid, a straight-chain fatty acid, a trienoic fatty acid, an icosanoid and a hydroxy polyunsaturated fatty acid. It derives from a (5Z,9E,14Z)-icosa-5,9,14-trienoic acid.

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

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

InChI: InChI=1S/C20H34O6/c21-16-10-6-2-1-3-8-12-18(23)19(24)15-14-17(22)11-7-4-5-9-13-20(25)26/h3-4,7-8,14-15,17-19,21-24H,1-2,5-6,9-13,16H2,(H,25,26)/b7-4-,8-3-,15-14+/t17?,18-,19?/m1/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 1.5