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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:57:30 UTC
Update Date2025-03-24 20:58:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01627552
Frequency0.8
Structure
Chemical FormulaC2H5NO4S
Molecular Mass138.9939
SMILESCS(=O)(=O)C[N+](=O)[O-]
InChI KeyJRXAVKXRWPTVSF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classsulfonyls
Subclass sulfones
Direct Parent sulfones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • c-nitro compounds
  • hydrocarbon derivatives
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organonitrogen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • allyl-type 1,3-dipolar organic compound
  • organic 1,3-dipolar compound
  • organic nitro compound
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic oxoazanium
  • organic hyponitrite
  • sulfone