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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:00 UTC
Update Date2025-03-25 00:50:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183053
Frequency0.5
Structure
Chemical FormulaC13H24O17S2
Molecular Mass516.0455
SMILESO=S(=O)(O)OCC1OC(OC2C(O)C(O)C(O)C(COS(=O)(=O)O)C2O)C(O)C(O)C1O
InChI KeyOTOHDIPMWYMJQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl sulfates
  • cyclitols and derivatives
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • cyclohexanol
  • monosaccharide
  • cyclitol or derivatives
  • cyclic alcohol
  • oxacycle
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • sulfate-ester
  • hydrocarbon derivative
  • oxane
  • sulfuric acid ester
  • organoheterocyclic compound