Molecule ID: 102571786

IUPAC Name: (5Z,9E,11Z,14Z)-8,20-dihydroxyicosa-5,9,11,14-tetraenoate

Description: The molecule is an icosanoid anion that is the conjugate base of 8,20-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is an omega-hydroxy fatty acid anion, an icosanoid anion, a long-chain fatty acid anion, a polyunsaturated fatty acid anion and a dihydroxyicosatetraenoate. It derives from an 8-HETE(1-). It is a conjugate base of an 8,20-DiHETE.

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

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][/C][=C][\C][C][Branch1][C][O][/C][=C][/C][=C][\C][/C][=C][\C][C][C][C][C][O]

InChI: InChI=1S/C20H32O4/c21-18-14-10-6-4-2-1-3-5-7-11-15-19(22)16-12-8-9-13-17-20(23)24/h1-2,5,7-8,11-12,15,19,21-22H,3-4,6,9-10,13-14,16-18H2,(H,23,24)/p-1/b2-1-,7-5-,12-8-,15-11+

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 4.2