RefMet Compound Details

MW structure37626 (View MW Metabolite Database details)
RefMet nameAminomalonic acid
Systematic name2-aminopropanedioic acid
SMILESNC(C(O)=O)C(O)=O
Sum CompositionAminomalonic acid View other entries in RefMet with this sum composition
Exact mass119.021859 (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
FormulaC3H5NO4View other entries in RefMet with this formula
InChIInChI=1S/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)
InChIKeyJINBYESILADKFW-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID100714
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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