Molecule ID: 102571789

IUPAC Name: (5Z,8Z,10E,14Z)-12,20-dihydroxyicosa-5,8,10,14-tetraenoate

Description: The molecule is an icosanoid anion that is the conjugate base of 12,20-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 a 12-HETE(1-). It is a conjugate base of a 12,20-DiHETE.

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

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

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

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