RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0162202
RefMet nameN,N'-Diacetyl-lysine
Systematic name2,6-diacetamidohexanoic acid
SynonymsPubChem Synonyms
Exact mass230.126658 (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
FormulaC10H18N2O4View other entries in RefMet with this formula
Molecular descriptors
Molfile78523 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C10H18N2O4/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyZHZUEHHBTYJTKY-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCC(=O)NCCCCC(C(=O)O)NC(=O)C
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Distribution of N,N'-Diacetyl-lysine 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 N,N'-Diacetyl-lysine
External Links
Pubchem CID91827
ChEBI ID165893
Chemspider ID82921
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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