Molecule ID: 132282535

IUPAC Name: (7Z,10Z,14E,16Z,19Z)-13-oxodocosa-7,10,14,16,19-pentaenoate

Description: The molecule is a docosanoid anion that is the conjugate base of (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion, a polyunsaturated fatty acid anion, an oxo fatty acid anion and a long-chain fatty acid anion. It is a conjugate base of a (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid.

SMILES: CC/C=C\C/C=C\C=C\C(=O)C/C=C\C/C=C\CCCCCC(=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][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C22H32O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h3-4,6-7,9,12-13,15-16,18H,2,5,8,10-11,14,17,19-20H2,1H3,(H,24,25)/p-1/b4-3-,7-6-,12-9-,16-13-,18-15+

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 6.2