RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0140094
RefMet name15-Deoxy-delta-12,14-PGJ2
Systematic name11-oxo-5Z,9,12E,14E-prostatetraenoic acid
SynonymsPubChem Synonyms
Exact mass316.203846 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC20H28O3View other entries in RefMet with this formula
Molecular descriptors
Molfile2388 (Download molfile/View MW Metabolite Database details)
InChIInChI=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,22,2
3)/b9-7-,10-6+,18-13+/t17-/m0/s1
InChIKeyVHRUMKCAEVRUBK-GODQJPCRSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=C/C=C/1\[C@@H](C/C=C\CCCC(=O)O)C=CC1=O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassEicosanoids
Sub ClassProstaglandins
Distribution of 15-Deoxy-delta-12,14-PGJ2 in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting 15-Deoxy-delta-12,14-PGJ2
External Links
Pubchem CID5311211
LIPID MAPSLMFA03010021
ChEBI ID34159
KEGG IDC14717
HMDB IDHMDB0005079
Chemspider ID4470730
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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