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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:16 UTC
Update Date2025-03-25 00:57:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225043
Frequency0.5
Structure
Chemical FormulaC11H15N5O6
Molecular Mass313.1022
SMILESNc1ncnc2c(O)nc(=O)n(CC(O)C(O)C(O)CO)c12
InChI KeyXWBZLHKCMTVOIJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyrimidines
  • imidolactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • primary amines
  • secondary alcohols
  • Substituents
  • alcohol
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • hydroxypyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • primary alcohol
  • imidolactam
  • amine
  • organooxygen compound