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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:16:54 UTC
Update Date2025-03-25 00:59:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02239885
Frequency0.5
Structure
Chemical FormulaC8H11N3OS
Molecular Mass197.0623
SMILESO=C1CCCN1Cc1c[nH]c(=S)[nH]1
InChI KeyYIWKSNGAQJWDDI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass imidazolines
Direct Parent imidazolethiones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • lactams
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • tertiary carboxylic acid amides
  • thioureas
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • thiourea
  • lactam
  • aromatic heteromonocyclic compound
  • imidazole-2-thione
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • imidazole
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • azole
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • carboxamide group
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound