Systematic / IUPAC Name: (9Z,11E)-13-Oxo-9,11-octadecadienoic acid
ID: Reference9770
Other Names:
(9Z,11E)-13-Oxooctadeca-9,11-dienoate;
(9Z,11E)-13-Oxooctadeca-9,11-dienoic acid;
(E,Z)-13-Oxo-9,11-octadecadienoic acid;
13-Keto-9Z,11E-octadecadienoic acid;
13-KetoODE
; more
Formula: C18H30O3
Class: Endogenous Metabolites
13-OxoODE mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Fusion with FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 160 |
Tandem Spectra | MS1, MS2 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/22/2020 4:14:43 PM |
InChI | InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+ |
InChI Key | JHXAZBBVQSRKJR-BSZOFBHHSA-N |
Canonical SMILES | CCCCCC(=O)C=CC=CCCCCCCCC(=O)O |
CAS | 54739309 |
Splash | |
Other Names |
(9Z,11E)-13-Oxooctadeca-9,11-dienoate; (9Z,11E)-13-Oxooctadeca-9,11-dienoic acid; (E,Z)-13-Oxo-9,11-octadecadienoic acid; 13-Keto-9Z,11E-octadecadienoic acid; 13-KetoODE; 13-KODE; 13-Oxo-9Z,11E-octadecadienoic acid; 13-Oxo-9Z,11E-ODE; 9,11-Octadecadienoic acid, 13-oxo-, (9Z,11E)-; 9,11-Octadecadienoic acid, 13-oxo-, (E,Z)- |
HMDb | HMDB0004668 |
ChemIDPlus | 054739309 |
ChemSpider | 4949634 |
PubChem | 6446027 |
KEGG | C14765 |
ChEBI | CHEBI:68947 |
ChEMBL | CHEMBL1378466 |