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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:55:04 UTC
Update Date2025-03-25 00:51:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02190089
Frequency0.5
Structure
Chemical FormulaC11H19NO2S2
Molecular Mass261.0857
SMILESCC(=O)CCCCC1SCC2CCN=S21=O
InChI KeyXASJEJZOGZGXCT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdithiolanes
Subclass 1,3-dithiolanes
Direct Parent 1,3-dithiolanes
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbo-azosulfones
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • carbonyl group
  • azacycle
  • dialkylthioether
  • ketone
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organic oxygen compound
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • carbo-azosulfone
  • 1,3-dithiolane
  • organooxygen compound