Molecule ID: 71668333

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

Description: The molecule is a oxo fatty acid anion that is the conjugate base of 12-oxo-ETE, obtained by deprotonation of the carboxy group. It is a long-chain fatty acid anion, an oxo fatty acid anion, a polyunsaturated fatty acid anion and an oxo-ETE anion. It is a conjugate base of a 12-oxo-ETE.

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

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

InChI: InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h7-11,13-14,17H,2-6,12,15-16,18H2,1H3,(H,22,23)/p-1/b9-7-,11-8-,13-10-,17-14+

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 5.8