RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0014050
RefMet nameAsp-Gly
Systematic nameL-Aspartyl-glycine
SynonymsPubChem Synonyms
Exact mass190.058973 (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
FormulaC6H10N2O5View other entries in RefMet with this formula
Molecular descriptors
Molfile78723 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H10N2O5/c7-3(1-4(9)10)6(13)8-2-5(11)12/h3H,1-2,7H2,(H,8,13)(H,9,10)(H,11,12)/t3-/m0/s1
InChIKeyJHFNSBBHKSZXKB-VKHMYHEASA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESC([C@@H](C(=O)NCC(=O)O)N)C(=O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Distribution of Asp-Gly in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Asp-Gly
External Links
Pubchem CID151148
ChEBI ID73450
HMDB IDHMDB0028753
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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