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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:21 UTC
Update Date2025-03-25 00:48:00 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02165548
Frequency0.5
Structure
Chemical FormulaC9H17NOS
Molecular Mass187.1031
SMILESCC=CC=NCCCCS(C)=O
InChI KeyLLONXRZPWNVFOI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfoxides
Subclass sulfoxides
Direct Parent sulfoxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldimines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • sulfinyl compounds
    • Substituents
  • aliphatic acyclic compound
  • imine
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • aldimine
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound