RefMet Compound Details

Created with Raphaƫl 2.1.0OOHOO
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0187017
RefMet namePersenone A
Systematic name(5E,12Z,15Z)-2-hydroxy-4-oxohenicosa-5,12,15-trien-1-yl acetate
SynonymsPubChem Synonyms
Sum CompositionFA 23:4;O2 View other entries in RefMet with this sum composition
Exact mass378.277010 (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
FormulaC23H38O4View other entries in RefMet with this formula
Molecular descriptors
Molfile47391 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyYLWJMUPPJKELEC-GQQAEKEGSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCC/C=C\C/C=C\CCCCC/C=C/C(=O)CC(COC(=O)C)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty alcohols
Sub ClassFatty alcohols
Distribution of Persenone A in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting Persenone A
External Links
Pubchem CID9929676
LIPID MAPSLMFA05000690
ChEBI ID66735
HMDB IDHMDB0036568
Chemspider ID8105307
PhytoHub DBPHUB002582
Structural annotation level
Annotation level3   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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