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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:35:16 UTC
Update Date2025-03-24 21:14:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01718759
Frequency0.7
Structure
Chemical FormulaC6H7NOS
Molecular Mass141.0248
SMILESCc1nc(CC=O)cs1
InChI KeyYQWTYDVCJRICOS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass thiazoles
Direct Parent 2,4-disubstituted thiazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • aldehyde
  • organic oxide
  • organic oxygen compound
  • alpha-hydrogen aldehyde
  • 2,4-disubstituted 1,3-thiazole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound