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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:00:19 UTC
Update Date2025-03-25 00:53:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02201982
Frequency0.5
Structure
Chemical FormulaC6H11NO2S
Molecular Mass161.051
SMILESCSCC(N)C(=O)C(C)=O
InChI KeyQRVSPTSOLOWSAS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent alpha-diketones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • alpha-diketone
  • organic oxide
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound