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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:44 UTC
Update Date2025-03-25 00:48:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170975
Frequency0.5
Structure
Chemical FormulaC6H13NO2S
Molecular Mass163.0667
SMILESCNCC1CCCS1(=O)=O
InChI KeyGHYYKQBBQATLQQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolanes
Subclass thiolanes
Direct Parent thiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • sulfones
    • Substituents
  • thiolane
  • secondary aliphatic amine
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • sulfone