RefMet Compound Details

MW structure78992 (View MW Metabolite Database details)
RefMet nameThr-Thr
Systematic nameL-Threonyl-L-threonine
SMILESC[C@H]([C@@H](C(=O)N[C@@H]([C@H](C)O)C(=O)O)N)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass220.105923 (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
FormulaC8H16N2O5View other entries in RefMet with this formula
InChIKeyDSGIVWSDDRDJIO-VANKVMQKSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID145453501
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)