RefMet Compound Details

MW structure87120 (View MW Metabolite Database details)
RefMet name3-(1-Pyrazolyl)-alanine
Systematic name2-amino-3-pyrazol-1-yl-propanoic acid
SMILESc1cnn(c1)CC(C(=O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass155.069477 (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
FormulaC6H9N3O2View other entries in RefMet with this formula
InChIKeyPIGOPELHGLPKLL-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID119630
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)