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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:48 UTC
Update Date2025-03-21 18:35:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104940
Frequency25.8
Structure
Chemical FormulaC4H6O7S
Molecular Mass197.9834
SMILESO=C1OCC(O)C1OS(=O)(=O)O
InChI KeyQOIYPBYBSSHDAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classlactones
Subclass gamma butyrolactones
Direct Parent gamma butyrolactones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • alcohol
  • sulfuric acid monoester
  • carbonyl group
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • monosaccharide
  • carboxylic acid derivative
  • gamma butyrolactone
  • oxacycle
  • saccharide
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound