RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0048116
RefMet name2-Amino-9,10-epoxy-8-oxodecanoic acid
Systematic name(2S)-2-amino-8-(oxiran-2-yl)-8-oxo-octanoic acid
SynonymsPubChem Synonyms
Exact mass215.115759 (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
FormulaC10H17NO4View other entries in RefMet with this formula
Molecular descriptors
Molfile69788 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C10H17NO4/c11-7(10(13)14)4-2-1-3-5-8(12)9-6-15-9/h7,9H,1-6,11H2,(H,13,14)/t7-,9?/m0/s1
InChIKeyPFDHVDFPTKSEKN-JAVCKPHESA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC(CC[C@@H](C(=O)O)N)CCC(=O)C1CO1
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 2-Amino-9,10-epoxy-8-oxodecanoic acid 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 2-Amino-9,10-epoxy-8-oxodecanoic acid
External Links
Pubchem CID443587
ChEBI ID29471
KEGG IDC12027
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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