RefMet Compound Details

MW structure78672 (View MW Metabolite Database details)
RefMet nameAla-Thr
Systematic nameL-Alanyl-L-threonine
SMILESC[C@H](N)C(=O)N[C@H](C(=O)O)[C@H](C)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass190.095358 (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
FormulaC7H14N2O4View other entries in RefMet with this formula
InChIKeyBUQICHWNXBIBOG-YUPRTTJUSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID92284229
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)