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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:23 UTC
Update Date2025-03-25 00:47:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161036
Frequency0.5
Structure
Chemical FormulaC7H13NO9S
Molecular Mass287.0311
SMILESNC1C(O)C(=O)C(OS(=O)(=O)O)OC1C(O)CO
InChI KeyQNDXAFUQXSPEBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classoxanes
Subclass oxanes
Direct Parent oxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • cyclic ketones
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • alcohol
  • sulfuric acid monoester
  • carbonyl group
  • organic sulfuric acid or derivatives
  • cyclic ketone
  • ketone
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • sulfate-ester
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • sulfuric acid ester
  • primary alcohol
  • organooxygen compound