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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:10 UTC
Update Date2025-03-25 00:51:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02185688
Frequency0.5
Structure
Chemical FormulaC10H14N4O5S
Molecular Mass302.0685
SMILESNc1nc(=O)c2c([nH]1)NC1C(COS(=O)(=O)O)CCC21
InChI KeyQYLRKHGREBLKQD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolopyrimidines
Direct Parent pyrrolopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl sulfates
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • pyrroles
  • secondary alkylarylamines
  • sulfuric acid monoesters
  • vinylogous amides
    • Substituents
  • sulfuric acid monoester
  • pyrimidone
  • pyrimidine
  • pyrrolopyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • organic sulfuric acid or derivatives
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxygen compound
  • pyrrole
  • sulfate-ester
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • sulfuric acid ester
  • amine
  • organooxygen compound