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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:52:07 UTC
Update Date2025-03-24 14:04:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00751648
Frequency2.0
Structure
Chemical FormulaC3H8NO2S+
Molecular Mass122.027
SMILESCCCS[N+](=O)O
InChI KeyQQPNETNJHSKLFE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic 1,3-dipolar compounds
Classallyl-type 1,3-dipolar organic compounds
Subclass organic nitro compounds
Direct Parent organic nitro compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organic cations
  • organic nitrogen compounds
  • organic oxides
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • organic oxygen compound
  • sulfenyl compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organosulfur compound
  • organic nitro compound