Molecule ID: 102571783

IUPAC Name: (6E,8Z,11Z,14Z)-5,20-dihydroxyicosa-6,8,11,14-tetraenoate

Description: The molecule is an icosanoid anion that is the conjugate base of 5,20-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is an icosanoid anion, an omega-hydroxy fatty acid anion, a polyunsaturated fatty acid anion, a long-chain fatty acid anion and a dihydroxyicosatetraenoate. It is a conjugate base of a 5,20-DiHETE.

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

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

InChI: InChI=1S/C20H32O4/c21-18-13-11-9-7-5-3-1-2-4-6-8-10-12-15-19(22)16-14-17-20(23)24/h2-5,8,10,12,15,19,21-22H,1,6-7,9,11,13-14,16-18H2,(H,23,24)/p-1/b4-2-,5-3-,10-8-,15-12+

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 4.3