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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:08:16 UTC
Update Date2025-03-25 00:56:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02220491
Frequency0.5
Structure
Chemical FormulaC10H19NO12S2
Molecular Mass409.0349
SMILESCOC1C(O)C(O)C(OS(=O)(=O)O)C(COS(=O)(=O)O)C1NC(C)=O
InChI KeyKRGDCSOPKQQFSO-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
  • 1,2-diols
  • acetamides
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclitols and derivatives
  • dialkyl ethers
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid derivative
  • dialkyl ether
  • organic oxide
  • alkyl sulfate
  • organonitrogen compound
  • organopnictogen compound
  • acetamide
  • 1,2-diol
  • 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