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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:45 UTC
Update Date2025-03-25 00:56:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02221595
Frequency0.5
Structure
Chemical FormulaC6H9NO5S
Molecular Mass207.0201
SMILESO=C(O)CC1=NCC(S(=O)(=O)O)C1
InChI KeyXBQSXOITENSYRP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • ketimines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • organosulfonic acids
  • propargyl-type 1,3-dipolar organic compounds
  • sulfonyls
    • Substituents
  • ketimine
  • organosulfonic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • imine
  • organosulfonic acid
  • organosulfur compound
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • azacycle
  • organic 1,3-dipolar compound
  • monocarboxylic acid or derivatives
  • sulfonyl
  • pyrroline
  • organic oxygen compound
  • organic sulfonic acid or derivatives
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound