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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:57 UTC
Update Date2025-03-25 00:59:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02237718
Frequency0.5
Structure
Chemical FormulaC9H15N5O4
Molecular Mass257.1124
SMILESNc1ncnc(NC2OC(CO)C(O)C2O)c1N
InChI KeyYSAYPOWNKKBNPY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monosaccharides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • secondary alcohols
  • tetrahydrofurans
  • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • monosaccharide
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • oxacycle
  • saccharide
  • organic oxygen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • primary alcohol
  • imidolactam
  • organoheterocyclic compound
  • organooxygen compound