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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:17 UTC
Update Date2025-03-25 00:57:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225069
Frequency0.5
Structure
Chemical FormulaC9H14N4O3
Molecular Mass226.1066
SMILESNc1ccn(C2CNCC(CO)O2)c(=O)n1
InChI KeyGSKWAVQGVNDLMQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • morpholines
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • Substituents
  • aromatic heteromonocyclic compound
  • pyrimidone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • imidolactam
  • alcohol
  • secondary aliphatic amine
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • oxazinane
  • oxacycle
  • morpholine
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound