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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:16:53 UTC
Update Date2025-03-21 18:34:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00102709
Frequency26.5
Structure
Chemical FormulaC7H13NO2S2
Molecular Mass207.0388
SMILESCS(=O)(=O)CCCCCN=C=S
InChI KeySIQPZGADPPVYAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfonyls
Subclass sulfones
Direct Parent sulfones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • isothiocyanates
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • organic 1,3-dipolar compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfone