RefMet Compound Details

MW structure78656 (View MW Metabolite Database details)
RefMet nameAla-Ala
Systematic nameL-Alanyl-L-alanine
SMILESC[C@@H](C(=O)N[C@@H](C)C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass160.084793 (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
FormulaC6H12N2O3View other entries in RefMet with this formula
InChIKeyDEFJQIDDEAULHB-IMJSIDKUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID5484352
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)