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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:02 UTC
Update Date2025-03-21 18:28:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00071791
Frequency41.7
Structure
Chemical FormulaC9H13N3O8S
Molecular Mass323.0423
SMILESNc1ccn(C2OC(CO)C(O)C2OS(=O)(=O)O)c(=O)n1
InChI KeyHPULIWKPPSAYDN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyrimidine nucleosides
Subclass pyrimidine nucleosides
Direct Parent pyrimidine nucleosides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • pyrimidones
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • sulfuric acid monoester
  • aromatic heteromonocyclic compound
  • monosaccharide
  • pyrimidone
  • pyrimidine
  • saccharide
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • pyrimidine nucleoside
  • primary alcohol
  • imidolactam
  • organoheterocyclic compound
  • alcohol
  • carbonic acid derivative
  • organic sulfuric acid or derivatives
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound