Molecule ID: 122391345

IUPAC Name: (7Z,10Z,13Z,16Z)-18-(3-ethyloxiran-2-yl)octadeca-7,10,13,16-tetraenoate

Description: The molecule is a docosanoid anion that is the conjugate base of (7Z,10Z,13Z,16Z)-19,20-epoxydocosatetraenoic 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 derives from a (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate. It is a conjugate base of a (7Z,10Z,13Z,16Z)-19,20-epoxydocosatetraenoic acid.

SMILES: CCC1OC1C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)[O-]

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

InChI: InChI=1S/C22H34O3/c1-2-20-21(25-20)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(23)24/h3-4,7-10,14,16,20-21H,2,5-6,11-13,15,17-19H2,1H3,(H,23,24)/p-1/b4-3-,9-7-,10-8-,16-14-

Molecular Properties:
- Polar Surface Area: 52.7 Ų
- LogP: 6.5