Molecule ID: 102033948

IUPAC Name: (5Z,7E,11Z,14Z)-9-oxoicosa-5,7,11,14-tetraenoic acid

Description: The molecule is an oxoicosatetraenoic acid that consists of (5Z,7E,11Z,14Z)-icosatetraenoic acid with the oxo substituent located at position 9. It is an oxoicosatetraenoic acid and an enone. It derives from an arachidonic acid. It is a conjugate acid of a 9-oxo-ETE(1-).

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

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

InChI: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-10-13-16-19(21)17-14-11-9-12-15-18-20(22)23/h6-7,9-11,13-14,17H,2-5,8,12,15-16,18H2,1H3,(H,22,23)/b7-6-,11-9-,13-10-,17-14+

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 5.1