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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:32 UTC
Update Date2025-03-25 00:49:13 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172814
Frequency0.5
Structure
Chemical FormulaC12H23NO3S
Molecular Mass261.1399
SMILESCCC=CCC(O)CC(O)=NCCCS(C)=O
InChI KeyPYZUSBQONCPCDS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfoxides
Subclass sulfoxides
Direct Parent sulfoxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidic acids
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary alcohols
  • sulfinyl compounds
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • carboximidic acid
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • organonitrogen compound
  • sulfoxide
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound