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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:16:49 UTC
Update Date2025-03-24 20:15:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01387426
Frequency0.9
Structure
Chemical FormulaC4H10NO2S+
Molecular Mass136.0427
SMILESCCCCS[N+](=O)O
InChI KeyXHSGJQRSNLMZPJ-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