15-OxoEDE

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Systematic / IUPAC Name: (11Z,13E)-15-Oxo-11,13-icosadienoic acid

ID: Reference9905

Other Names: (11Z,13E)-15-Oxoicosa-11,13-dienoic acid;
15-KEDE;
15-Keto-11Z,13E-eicosadienoic acid;
15-Oxo-11Z,13E-eicosadienoic acid;
15-Oxo-icosa-11,13-dienoic acid

Formula: C20H34O3

Class: Endogenous Metabolites

Spectral Data

15-OxoEDE 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 Orbitrap Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 1344
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/8/2020 6:57:14 AM
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Identificators

InChI InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+
InChI Key QZCMHXPXGACWLJ-QWAPPMFBSA-N
Canonical SMILES CCCCCC(=O)C=CC=CCCCCCCCCCC(=O)O
CAS 105835447
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Other Names (11Z,13E)-15-Oxoicosa-11,13-dienoic acid;
15-KEDE;
15-Keto-11Z,13E-eicosadienoic acid;
15-Oxo-11Z,13E-eicosadienoic acid;
15-Oxo-icosa-11,13-dienoic acid

In Other Databases

ChEBI CHEBI:72844
ChEMBL CHEMBL88863
PubChem 5283013
ChemSpider 4446140