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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:39:24 UTC
Update Date2025-03-21 17:58:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00014077
Frequency314.2
Structure
Chemical FormulaC12H16N3OS+
Molecular Mass250.1009
SMILESCc1c(CCO)sc[n+]1Cc1cccnc1N
InChI KeyYXLPPUHLHDUZMG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass halopyridines
Direct Parent polyhalopyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • 4,5-disubstituted thiazoles
  • alcohols and polyols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • imidolactams
  • methylpyridines
  • organic cations
  • organopnictogen compounds
  • primary amines
    • Substituents
  • alcohol
  • aromatic heteromonocyclic compound
  • azacycle
  • polyhalopyridine
  • heteroaromatic compound
  • hydroxypyridine
  • methylpyridine
  • 4,5-disubstituted 1,3-thiazole
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • 2-halopyridine
  • organic nitrogen compound
  • organic cation
  • imidolactam
  • thiazole
  • amine
  • organooxygen compound
  • azole