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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:16:28 UTC
Update Date2025-03-24 20:14:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01386593
Frequency0.9
Structure
Chemical FormulaC4H7NO2S
Molecular Mass133.0197
SMILESCS(=O)CC(N)=C=O
InChI KeyJXIVOWDWQIJAEC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfoxides
Subclass sulfoxides
Direct Parent sulfoxides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfinyl compounds
  • ynolates
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • ynolate
  • organonitrogen compound
  • sulfoxide
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound