9-Oxo-ODE

enlarge

Systematic / IUPAC Name: (10E,12Z)-9-Oxo-10,12-octadecadienoic acid

ID: Reference9797

Other Names: (10E,12Z)-9-Oxooctadeca-10,12-dienoate;
(10E,12Z)-9-Oxooctadeca-10,12-dienoic acid;
(10E,12Z)9-Oxo-ode;
10,12-Octadecadienoic acid, 9-oxo-, (10E,12Z)-;
9-Keto-10E,12Z-octadecadienoic acid ; more

Formula: C18H30O3

Class: Endogenous Metabolites

Spectral Data

9-Oxo-ODE 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 525
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/25/2020 9:14:55 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6-,14-11+
InChI Key LUZSWWYKKLTDHU-ZJHFMPGASA-N
Canonical SMILES CCCCCC=CC=CC(=O)CCCCCCCC(=O)O
CAS 54232596
Splash
Other Names (10E,12Z)-9-Oxooctadeca-10,12-dienoate;
(10E,12Z)-9-Oxooctadeca-10,12-dienoic acid;
(10E,12Z)9-Oxo-ode;
10,12-Octadecadienoic acid, 9-oxo-, (10E,12Z)-;
9-Keto-10E,12Z-octadecadienoic acid;
9-KODE;
9-Oxo-10E,12Z-octadecadienoic acid;
9-Oxo-10E,12Z-ode

In Other Databases

ChemSpider 8014803
ChEBI CHEBI:72842
HMDb HMDB0004669
PubChem 9839084
KEGG C14766