RefMet Compound Details

MW structure38092 (View MW Metabolite Database details)
RefMet namePicolinic acid
Systematic namepyridine-2-carboxylic acid
SMILESc1ccnc(c1)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass123.032029 (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
FormulaC6H5NO2View other entries in RefMet with this formula
InChIInChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
InChIKeySIOXPEMLGUPBBT-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassNicotinic acid alkaloids
Sub ClassPyridine alkaloids
Pubchem CID1018
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo