RefMet Compound Details

MW structure78696 (View MW Metabolite Database details)
RefMet nameAsn-Ala
Systematic nameL-Asparaginyl-L-alanine
SMILESC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)N)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass203.090607 (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
FormulaC7H13N3O4View other entries in RefMet with this formula
InChIKeySJUXYGVRSGTPMC-IMJSIDKUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID9942455
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)