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
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.
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 |
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 |
Splash | |
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 |
ChemSpider | 4446162 |
PubChem | 5283035 |
ChEMBL | CHEMBL520218 |