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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:11 UTC
Update Date2025-03-25 00:51:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188072
Frequency0.5
Structure
Chemical FormulaC8H14N2O3S2
Molecular Mass250.0446
SMILESCC(=O)NCCS(=O)(=O)CCCN=C=S
InChI KeyHYLCFUABMUBAHE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfonyls
Subclass sulfones
Direct Parent sulfones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetamides
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • isothiocyanates
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • secondary carboxylic acid amides
    • Substituents
  • aliphatic acyclic compound
  • isothiocyanate
  • carbonyl group
  • organic 1,3-dipolar compound
  • carboxamide group
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • secondary carboxylic acid amide
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • acetamide
  • organooxygen compound
  • sulfone