RefMet Compound Details

MW structure78702 (View MW Metabolite Database details)
RefMet nameAsn-Glu
Systematic nameL-Asparaginyl-L-glutamic acid
SMILESNC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass261.096087 (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
FormulaC9H15N3O6View other entries in RefMet with this formula
InChIKeyIIFDPDVJAHQFSR-WHFBIAKZSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID7019991
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)