(+/-)5(6)-EET
9768
Reference
(+/-)5(6)-EET Structure
Systematic / IUPAC Name: 4-{(2S,3R)-3-[(2Z,5Z,8Z)-2,5,8-Tetradecatrien-1-yl]-2-oxiranyl}butanoic acid
ID: Reference9768
Other Names:
(+/-)5,6-EpETrE;
(+/-)5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid
Formula: C20H32O3
Class: Endogenous Metabolites
Spectral Data
(+/-)5(6)-EET mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion with FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1035 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/22/2020 4:09:13 PM |
Identificators
| InChI | InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-/t18-,19+/m1/s1 |
| InChI Key | VBQNSZQZRAGRIX-GSKBNKFLSA-N |
| Canonical SMILES | CCCCCC=CCC=CCC=CCC1C(O1)CCCC(=O)O |
| CAS | 87173806 |
| Splash | |
| Other Names |
(+/-)5,6-EpETrE; (+/-)5,6-epoxy-8Z,11Z,14Z-eicosatrienoic acid |