RefMet Compound Details

Created with Raphaƫl 2.1.0O
RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153395
RefMet nameEthyl pentyl ketone
Systematic nameOctan-3-one
SynonymsPubChem Synonyms
Exact mass128.120115 (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
FormulaC8H16OView other entries in RefMet with this formula
Molecular descriptors
Molfile5461 (Download molfile/View MW Metabolite Database details)
InChI
InChIKeyRHLVCLIPMVJYKS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCCCCCC(=O)CC
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassHydrocarbons
Sub ClassOxygenated hydrocarbons
Distribution of Ethyl pentyl ketone in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Ethyl pentyl ketone
External Links
Pubchem CID246728
LIPID MAPSLMFA12000055
ChEBI ID80946
KEGG IDC17145
HMDB IDHMDB0031295
Chemspider ID215929
Spectral data for Ethyl pentyl ketone standards
MassBank(EU)View MS spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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