RefMet Compound Details

MW structure78810 (View MW Metabolite Database details)
RefMet nameGly-Pro
Systematic nameGlycyl-L-proline
SMILESNCC(=O)N1CCC[C@@H]1C(O)=O
Sum CompositionGly-Pro View other entries in RefMet with this sum composition
Exact mass172.084793 (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
FormulaC7H12N2O3View other entries in RefMet with this formula
InChIInChI=1S/C7H12N2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4,8H2,(H,11,12)/t5-/m0/s1
InChIKeyKZNQNBZMBZJQJO-YFKPBYRVSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassDipeptides
Pubchem CID3013625
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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