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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:24:37 UTC
Update Date2025-03-21 18:38:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00121444
Frequency21.3
Structure
Chemical FormulaC9H17NO9S
Molecular Mass315.0624
SMILESCC(=O)NC1C(O)C(O)C(O)C(CO)C1OS(=O)(=O)O
InChI KeyJZMOTHYPPIGYFV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • acetamides
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary alcohols
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid derivative
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • primary alcohol
  • acetamide
  • organic sulfuric acid or derivatives
  • cyclohexanol
  • cyclitol or derivatives
  • cyclic alcohol
  • carboxamide group
  • secondary carboxylic acid amide
  • aliphatic homomonocyclic compound
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester