Molecule ID: 132282533

IUPAC Name: (7Z,9E,11E)-12-[3-[(2Z,5Z)-octa-2,5-dienyl]oxiran-2-yl]dodeca-7,9,11-trienoate

Description: The molecule is a docosanoid anion that is the conjugate base of (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a docosanoid anion and a long-chain fatty acid anion. It is a conjugate base of a (7Z,9E,11E,16Z,19Z)-13,14-epoxydocosapentaenoic acid.

SMILES: CC/C=C\C/C=C\CC1OC1/C=C/C=C/C=C\CCCCCC(=O)[O-]

SELFIES: [C][C][/C][=C][\C][/C][=C][\C][C][O][C][Ring1][Ring1][/C][=C][/C][=C][/C][=C][\C][C][C][C][C][C][=Branch1][C][=O][O-1]

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

Molecular Properties:
- Polar Surface Area: 52.7 Ų
- LogP: 6.3