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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:11 UTC
Update Date2025-03-25 01:01:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252114
Frequency0.5
Structure
Chemical FormulaC7H9NO4S
Molecular Mass203.0252
SMILESNCCC1=C=C(OS(=O)(=O)O)C=C1
InChI KeyROAINPZCJBKXNC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic sulfuric acids and derivatives
Subclass sulfuric acid esters
Direct Parent sulfuric acid monoesters
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • sulfuric acid monoester
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • aliphatic homomonocyclic compound
  • organopnictogen compound
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound