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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:20:34 UTC
Update Date2025-03-25 01:01:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02248408
Frequency0.5
Structure
Chemical FormulaC7H13N3O3S
Molecular Mass219.0678
SMILESCn1cnc(CNCCS(=O)(=O)O)c1
InChI KeyBKPNTTHHKUAUGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent n-substituted imidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids
  • sulfonyls
    • Substituents
  • secondary aliphatic amine
  • organosulfonic acid or derivatives
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organosulfonic acid
  • secondary amine
  • organosulfur compound
  • organic oxide
  • sulfonyl
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • n-substituted imidazole