RefMet Compound Details

MW structure37249 (View MW Metabolite Database details)
RefMet name2-Furoylglycine
Systematic name2-(furan-2-ylformamido)acetic acid
SMILESO=C(O)CNC(=O)c1ccco1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass169.037509 (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
FormulaC7H7NO4View other entries in RefMet with this formula
InChIKeyKSPQDMRTZZYQLM-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID21863
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)