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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:09 UTC
Update Date2025-03-25 00:47:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160504
Frequency0.5
Structure
Chemical FormulaC8H7N3O5S
Molecular Mass257.0106
SMILESNc1cc2c(OS(=O)(=O)O)cccn2c(=O)n1
InChI KeyLHBKVNXKAPGBGH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridopyrimidines
Subclass pyridopyrimidines
Direct Parent pyridopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-halopyridines
  • arylsulfates
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyrimidones
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • polyhalopyridine
  • pyrimidone
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • pyridopyrimidine
  • organopnictogen compound
  • arylsulfate
  • 2-halopyridine
  • imidolactam
  • carbonic acid derivative
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • pyridine
  • organic oxygen compound
  • sulfate-ester
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound