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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:09:27 UTC
Update Date2025-03-25 00:57:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02223214
Frequency0.5
Structure
Chemical FormulaC6H11NO8S
Molecular Mass257.0205
SMILESNC1C(O)C(=O)OC1C(O)COS(=O)(=O)O
InChI KeyGYTVYRQKEUGASQ-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
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • alcohol
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • gamma butyrolactone
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound