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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:50:14 UTC
Update Date2025-03-24 17:59:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01034810
Frequency1.4
Structure
Chemical FormulaC6H11NOS
Molecular Mass145.0561
SMILESC=CCN=C(C)S(C)=O
InChI KeyQDOPEQVUZUEMLV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfoxides
Subclass sulfoxides
Direct Parent sulfoxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfinyl compounds
    • Substituents
  • aliphatic acyclic compound
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound