Molecule ID: 119058183

IUPAC Name: (5Z,8Z,11Z)-20-hydroxyicosa-5,8,11-trienoate

Description: The molecule is an omega-hydroxy fatty acid anion that is the conjugate base of 20-HETrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an omega-hydroxy fatty acid anion, an icosanoid anion, a hydroxy polyunsaturated fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a 20-HETrE.

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

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

InChI: InChI=1S/C20H34O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6,10,12,21H,2,5,7-9,11,13-19H2,(H,22,23)/p-1/b3-1-,6-4-,12-10-

Molecular Properties:
- Polar Surface Area: 60.4 Ų
- LogP: 6.0