9-Oxo-10(E),12(E)-octadecadienoic acid

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

ID: Reference5838

Other Names: (10E,12E)-9-Oxooctadeca-10,12-dienoic acid;
10,12-Octadecadienoic acid, 9-oxo-;
9-Oxo-10,12-octadecadienoic acid;
9-Oxo-10,12-ODDA ;
9-oxo ODA

Formula: C18H30O3

Class: Endogenous Metabolites

Spectral Data

9-Oxo-10(E),12(E)-octadecadienoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/26/2016 2:12:14 PM
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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-SIGMCMEVSA-N
Canonical SMILES CCCCCC=CC=CC(=O)CCCCCCCC(=O)O
CAS 54232585
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Other Names (10E,12E)-9-Oxooctadeca-10,12-dienoic acid;
10,12-Octadecadienoic acid, 9-oxo-;
9-Oxo-10,12-octadecadienoic acid;
9-Oxo-10,12-ODDA ;
9-oxo ODA

In Other Databases

PubChem 5283011
ChemIDPlus 054665326
ChEMBL CHEMBL465240
LipidsMAPs LMFA01060071
ChEBI CHEBI:72843
ChemSpider 4446138
KEGG C14766