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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:46 UTC
Update Date2025-03-21 18:01:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00030776
Frequency129.7
Structure
Chemical FormulaC9H16N6O2
Molecular Mass240.1335
SMILESCC(O)C(N)C1CNc2[nH]c(N)nc(=O)c2N1
InChI KeyLJWCJMFYOXKJAP-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
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • pyrimidones
  • secondary alcohols
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • alcohol
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound