Molecule ID: 71668340

IUPAC Name: (5Z,9E,11Z,14Z)-8-oxoicosa-5,9,11,14-tetraenoic acid

Description: The molecule is an oxoicosatetraenoic acid in which the oxo group is located at position 8 and the four double bonds at position 5, 9, 11 and 14 (the 5Z,9E,11Z,14Z-geoisomer). It derives from an icosa-5,9,11,14-tetraenoic acid. It is a conjugate acid of an 8-oxo-ETE(1-).

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

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

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

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