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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:42:50 UTC
Update Date2025-03-21 17:59:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00021641
Frequency194.4
Structure
Chemical FormulaC9H13N5O4
Molecular Mass255.0968
SMILESNc1nc(=O)c2c([nH]1)=NCC(C(O)C(O)CO)N=2
InChI KeyOQQBPBZWMGTIFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • primary amines
  • pyrimidones
  • secondary alcohols
  • vinylogous amides
  • Substituents
  • alcohol
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • primary alcohol
  • imidolactam
  • amine
  • organooxygen compound