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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:26:32 UTC
Update Date2025-03-25 00:41:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02124703
Frequency0.6
Structure
Chemical FormulaC6H9NOS
Molecular Mass143.0405
SMILESC=CCNC(=S)C(C)=O
InChI KeyUPBGYOUJHSZMEU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioamides
Subclass thioamides
Direct Parent thioamides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • thiocarbonyl compounds
  • thiocarboxylic acid amides
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • thiocarboxylic acid amide
  • thiocarbonyl group
  • ketone
  • organic oxide
  • organic oxygen compound
  • thioamide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound