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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:11 UTC
Update Date2025-03-25 00:47:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160576
Frequency0.5
Structure
Chemical FormulaC11H14N4O4S
Molecular Mass298.0736
SMILESNc1ncnc2c1c(S)cn2C1OC(CO)C(O)C1O
InChI KeyIHGDGKQLHNCZSF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyrrolopyrimidine nucleosides and nucleotides
Subclass pyrrolopyrimidine nucleosides and nucleotides
Direct Parent pyrrolopyrimidine nucleosides and nucleotides
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monosaccharides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • pyrrolo[2,3-d]pyrimidines
  • secondary alcohols
  • substituted pyrroles
  • tetrahydrofurans
  • thiols
  • Substituents
  • monosaccharide
  • substituted pyrrole
  • organosulfur compound
  • pyrimidine
  • pyrrolopyrimidine
  • saccharide
  • pyrrolo[2,3-d]pyrimidine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • imidolactam
  • organoheterocyclic compound
  • alcohol
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • arylthiol
  • pyrrolopyrimidine ribonucleoside
  • oxacycle
  • organic oxygen compound
  • pyrrole
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound