Molecule ID: 122391311

IUPAC Name: (Z)-7-[(2R,3Z)-3-[(2Z,5Z)-undeca-2,5-dienylidene]oxiran-2-yl]hept-5-enoate

Description: The molecule is an EpETE(1-) that is the conjugate base of (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an organic molecular entity, an icosanoid anion and an EpETE(1-). It derives from an 8(R)-HPETE(1-). It is a conjugate base of a (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoic acid.

SMILES: CCCCC/C=C\C/C=C\C=C1/O[C@@H]1C/C=C\CCCC(=O)[O-]

SELFIES: [C][C][C][C][C][/C][=C][\C][/C][=C][\C][=C][/O][C@@H1][Ring1][Ring1][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,15,19H,2-5,8,11,14,16-17H2,1H3,(H,21,22)/p-1/b7-6-,12-9-,13-10-,18-15-/t19-/m1/s1

Molecular Properties:
- Polar Surface Area: 52.7 Ų
- LogP: 6.0