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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:54 UTC
Update Date2025-03-25 00:49:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02175959
Frequency0.5
Structure
Chemical FormulaC8H10N2O3S
Molecular Mass214.0412
SMILESCCC(=O)Nc1nc(CC(=O)O)cs1
InChI KeyUPSCTINSVKNADG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-arylamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2,4-disubstituted thiazoles
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • n-arylamide
  • carboxamide group
  • carboxylic acid derivative
  • secondary carboxylic acid amide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2,4-disubstituted 1,3-thiazole
  • organopnictogen compound
  • hydrocarbon derivative
  • thiazole
  • organoheterocyclic compound
  • organooxygen compound
  • azole