Molecule ID: 126456540

IUPAC Name: (5Z,8Z,11Z)-13-[3-[(Z)-pent-2-enyl]oxiran-2-yl]trideca-5,8,11-trienoate

Description: The molecule is an EpETE(1-) that is the conjugate base of (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It derives from an all-cis-5,8,11,14,17-icosapentaenoate. It is a conjugate base of a (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoic acid.

SMILES: CC/C=C\CC1OC1C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]

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

InChI: InChI=1S/C20H30O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h3-4,6-7,9-10,12-13,18-19H,2,5,8,11,14-17H2,1H3,(H,21,22)/p-1/b6-4-,9-7-,12-3-,13-10-

Molecular Properties:
- Polar Surface Area: 52.7 Ų
- LogP: 5.4