13-OxoODE

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

Spectral Data

13-OxoODE mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

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
View Mass Spec Data > >

Identificators

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)-

In Other Databases

HMDb HMDB0004668
ChemIDPlus 054739309
ChemSpider 4949634
PubChem 6446027
KEGG C14765
ChEBI CHEBI:68947
ChEMBL CHEMBL1378466