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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:52 UTC
Update Date2025-03-25 00:47:10 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02159900
Frequency0.5
Structure
Chemical FormulaC6H11NO3S
Molecular Mass177.046
SMILESO=S1(=O)CC2CC(O)C(C1)N2
InChI KeyRXXWZPNVGMHOSX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiepanes
Subclass thiepanes
Direct Parent thiepanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrrolidines
  • secondary alcohols
  • sulfones
  • thiomorpholines
    • Substituents
  • alcohol
  • 1,4-thiazinane
  • secondary aliphatic amine
  • azacycle
  • secondary amine
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • thiepane
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • organooxygen compound
  • amine
  • sulfone