RefMet Compound Details

MW structure37460 (View MW Metabolite Database details)
RefMet nameNeopterin
Systematic name2-amino-6-(1,2,3-trihydroxypropyl)-3,4-dihydropteridin-4-one
SMILESc1c(C(C(CO)O)O)nc2c(n1)nc(N)[nH]c2=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass253.081105 (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
FormulaC9H11N5O4View other entries in RefMet with this formula
InChIKeyBMQYVXCPAOLZOK-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassPterins
Sub ClassBiopterins
Pubchem CID135408877
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)