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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:04 UTC
Update Date2025-03-21 18:40:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00129600
Frequency19.6
Structure
Chemical FormulaC9H12N2O3S2
Molecular Mass260.0289
SMILESCC(=O)Nc1nc(CSCCC(=O)O)cs1
InChI KeyWXOYKFDYGPLPSY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-acetylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2,4-disubstituted thiazoles
  • acetamides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • carbonyl group
  • carboxylic acid
  • n-acetylarylamine
  • aromatic heteromonocyclic compound
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • organopnictogen compound
  • organoheterocyclic compound
  • acetamide
  • azole
  • sulfenyl compound
  • azacycle
  • dialkylthioether
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • 2,4-disubstituted 1,3-thiazole
  • hydrocarbon derivative
  • thiazole
  • organooxygen compound