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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:06 UTC
Update Date2025-03-25 00:46:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02153725
Frequency0.5
Structure
Chemical FormulaC5H8N4O3S
Molecular Mass204.0317
SMILESCS(=O)(=O)NC(=O)c1[nH]cnc1N
InChI KeyOTJDQQCYGWGSEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent carbonylimidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • aminosulfonyl compounds
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • imidolactams
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids and derivatives
  • primary amines
  • vinylogous amides
  • Substituents
  • organosulfonic acid or derivatives
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • imidazole-4-carbonyl group
  • imidolactam
  • vinylogous amide
  • azacycle
  • aminosulfonyl compound
  • heteroaromatic compound
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound