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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:18:23 UTC
Update Date2025-03-21 18:35:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00106364
Frequency43.8
Structure
Chemical FormulaC6H15N3O2S
Molecular Mass193.0885
SMILESCS(=O)(=O)CCCCN=C(N)N
InChI KeyWDXHFBIUYSPWFD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfonyls
Subclass sulfones
Direct Parent sulfones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • guanidines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • guanidine
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfone