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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:32:16 UTC
Update Date2025-03-24 21:13:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01711447
Frequency0.7
Structure
Chemical FormulaC24H42O33S4
Molecular Mass986.0491
SMILESO=S(=O)(O)OCC1OC(O)C(O)C(OC2OC(COS(=O)(=O)O)C(OC3OC(COS(=O)(=O)O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(COS(=O)(=O)O)O2)C1O
InChI KeyCFARAPRQGAONJC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorthocarboxylic acid derivatives
Subclass carboxylic acid orthoesters
Direct Parent carboxylic acid orthoesters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dioxanes
  • acetals
  • alkyl sulfates
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • ortho esters
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • ortho ester
  • monosaccharide
  • carboxylic acid orthoester
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • meta-dioxane
  • organooxygen compound