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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:02:52 UTC
Update Date2025-03-25 00:54:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02207821
Frequency0.5
Structure
Chemical FormulaC10H12N4O4S
Molecular Mass284.0579
SMILESNc1ncnc2c1sc(=O)n2C1CC(O)C(CO)O1
InChI KeyVJIPDMSDPLXBRQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidines and pyrimidine derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monosaccharides
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • primary amines
  • secondary alcohols
  • tetrahydrofurans
  • thiazoles
  • Substituents
  • monosaccharide
  • pyrimidine
  • saccharide
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • imidolactam
  • azole
  • alcohol
  • carbonic acid derivative
  • azacycle
  • tetrahydrofuran
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • thiazole
  • amine
  • organooxygen compound