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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:07:02 UTC
Update Date2025-03-21 22:09:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00502057
Frequency3.4
Structure
Chemical FormulaC5H12O2S
Molecular Mass136.0558
SMILESCCC(O)CS(C)=O
InChI KeyNRYKMAIKOFUZCE-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
  • secondary alcohols
  • sulfinyl compounds
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • sulfinyl compound
  • sulfoxide
  • secondary alcohol
  • hydrocarbon derivative
  • organooxygen compound