Molecule ID: 129626809

IUPAC Name: (6E,8Z,11Z)-5-oxoicosa-6,8,11-trienoate

Description: The molecule is an icosanoid anion that is the conjugate base of (6E,8Z,11Z)-5-oxoicosatrienoic acid (5-oxo-ETrE), obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a (6E,8Z,11Z)-5-oxoicosatrienoic acid.

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

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

InChI: InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16H,2-8,11,15,17-18H2,1H3,(H,22,23)/p-1/b10-9-,13-12-,16-14+

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 6.5