Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:49:22 UTC
Update Date2025-03-21 18:02:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00037062
Frequency114.9
Structure
Chemical FormulaC9H12N4O3
Molecular Mass224.0909
SMILESCC(O)C(O)C1CN=c2[nH]cnc(=O)c2=N1
InChI KeyRIROFYPVIGXDMZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pteridines and derivatives
Direct Parent pteridines and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 1,2-diols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrimidones
  • secondary alcohols
  • vinylogous amides
  • Substituents
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • pteridine
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • imidolactam
  • organooxygen compound
  • 1,2-diol