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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:37:16 UTC
Update Date2025-03-25 00:45:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02149405
Frequency0.5
Structure
Chemical FormulaC9H16N3O8P
Molecular Mass325.0675
SMILESNc1ccn(C(CO)C(O)C(O)COP(=O)(O)O)c(=O)n1
InChI KeyHTKQNORYVWPADM-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
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monoalkyl phosphates
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • primary amines
  • secondary alcohols
  • Substituents
  • aromatic heteromonocyclic compound
  • pyrimidone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • imidolactam
  • alcohol
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • phosphoric acid ester
  • monoalkyl phosphate
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • organic phosphoric acid derivative
  • amine
  • alkyl phosphate
  • organooxygen compound