RefMet Compound Details

MW structure78941 (View MW Metabolite Database details)
RefMet namePro-Gln
Systematic nameL-Prolyl-L-glutamine
SMILESNC(=O)CC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass243.121907 (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
FormulaC10H17N3O4View other entries in RefMet with this formula
InChIKeySHAQGFGGJSLLHE-BQBZGAKWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID7408110
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)