Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:15:58 UTC
Update Date2025-03-21 18:34:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00100415
Frequency27.3
Structure
Chemical FormulaC4H7NO6S
Molecular Mass196.9994
SMILESO=C1C(OS(=O)(=O)O)CCN1O
InChI KeyRCEOSTQFRMBLJO-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 heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydroxamic acids
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • Substituents
  • 2-pyrrolidone
  • sulfuric acid monoester
  • carbonyl group
  • azacycle
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • hydroxamic acid
  • pyrrolidine
  • pyrrolidone
  • organoheterocyclic compound
  • organooxygen compound