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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:18 UTC
Update Date2025-03-21 18:41:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00137010
Frequency18.3
Structure
Chemical FormulaC12H18N4O3
Molecular Mass266.1379
SMILESCc1ncc(CNC2C=CC(O)C(O)C2O)c(N)n1
InChI KeyRWLQYOKKDPGSLA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidines and pyrimidine derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclitols and derivatives
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • secondary alcohols
  • Substituents
  • alcohol
  • secondary aliphatic amine
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • cyclitol or derivatives
  • secondary amine
  • pyrimidine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound