RefMet Compound Details

MW structure78732 (View MW Metabolite Database details)
RefMet nameAsp-Thr
Systematic nameL-Aspartyl-L-threonine
SMILESC[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass234.085188 (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
FormulaC8H14N2O6View other entries in RefMet with this formula
InChIKeyNTQDELBZOMWXRS-FKZODXBYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID145453490
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)