Molecule ID: 101143062

IUPAC Name: (5Z,8Z,12E,14Z)-11-oxoicosa-5,8,12,14-tetraenoic acid

Description: The molecule is an oxoicosatetraenoic acid that is (5Z,8Z,12E,14Z)-icosatetraenoic acid bearing a single oxo substituent located at position 12. It has a role as a human metabolite. It is an oxoicosatetraenoic acid and an enone. It derives from an icosa-5,8,12,14-tetraenoic acid. It is a conjugate acid of an 11-oxo-ETE(1-).

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

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

InChI: InChI=1S/C20H30O3/c1-2-3-4-5-7-10-13-16-19(21)17-14-11-8-6-9-12-15-18-20(22)23/h6-7,9-11,13-14,16H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b9-6-,10-7-,14-11-,16-13+

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