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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:40 UTC
Update Date2025-03-25 01:01:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248627
Frequency0.5
Structure
Chemical FormulaC9H16N4O4
Molecular Mass244.1172
SMILESN=c1ccn(CC(O)C(O)C(O)CO)c(N)n1
InChI KeyFCBXJZUGOGRMSV-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organopnictogen compounds
  • primary alcohols
  • primary amines
  • secondary alcohols
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidine
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • primary alcohol
  • amine
  • organooxygen compound