15-Deoxy-δ12,14 -Prostaglandin J2

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Systematic / IUPAC Name: (5Z,12E,14E)-11-Oxoprosta-5,9,12,14-tetraen-1-oic acid

ID: Reference4592

Other Names: (Z)-7-[(E)-5-((E)-Oct-2-enylidene)-4-oxocyclopent-2-enyl]hept-5-enoic acid ;
Prosta-5,9,12,14-tetraen-1-oic acid, 11-oxo-, (5Z,12E,14E)-;
15-deoxy-Δ12,14 -Prostaglandin J2 ;
15-deoxy-Δ12,14-PGJ2

Formula: C20H28O3

Class: Endogenous Metabolites

Spectral Data

15-Deoxy-δ12,14 -Prostaglandin J2 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 Elite; Orbitrap Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 3825
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/19/2016 11:22:22 AM
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Identificators

InChI InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+
InChI Key VHRUMKCAEVRUBK-SATQDPSZSA-N
Canonical SMILES CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O
CAS 87893558
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Other Names (Z)-7-[(E)-5-((E)-Oct-2-enylidene)-4-oxocyclopent-2-enyl]hept-5-enoic acid ;
Prosta-5,9,12,14-tetraen-1-oic acid, 11-oxo-, (5Z,12E,14E)-;
15-deoxy-Δ12,14 -Prostaglandin J2 ;
15-deoxy-Δ12,14-PGJ2

In Other Databases

ChemSpider 4446162
PubChem 5283035
ChEMBL CHEMBL520218