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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:11:37 UTC
Update Date2025-03-21 18:32:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00089829
Frequency31.4
Structure
Chemical FormulaC4H9NO2S
Molecular Mass135.0354
SMILESNC1CCCS1(=O)=O
InChI KeyIIIGXUANQZOIHI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolanes
Subclass thiolanes
Direct Parent thiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • sulfones
    • Substituents
  • thiolane
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • sulfone