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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:04:11 UTC
Update Date2025-03-21 18:28:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00072165
Frequency41.5
Structure
Chemical FormulaC9H14N2O9S
Molecular Mass326.042
SMILESO=C1CCN(C2OC(COS(=O)(=O)O)C(O)C2O)C(=O)N1
InChI KeyVVKOBDJJEYOQIW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassnucleosides, nucleotides, and analogues
Classpyrimidine nucleosides
Subclass pyrimidine nucleosides
Direct Parent pyrimidine nucleosides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-diols
  • alkyl sulfates
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • diazinanes
  • dicarboximides
  • hydrocarbon derivatives
  • monosaccharides
  • n-acyl ureas
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • pyrimidones
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • monosaccharide
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • 1,3-diazinane
  • saccharide
  • organic oxide
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • pyrimidine nucleoside
  • dicarboximide
  • ureide
  • organoheterocyclic compound
  • 1,2-diol
  • alcohol
  • n-acyl urea
  • carbonic acid derivative
  • organic sulfuric acid or derivatives
  • azacycle
  • tetrahydrofuran
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound