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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 IDDMID02161029
Frequency0.5
Structure
Chemical FormulaC12H23NO16S2
Molecular Mass501.0458
SMILESNC1C(O)C(COS(=O)(=O)O)OC(OC2C(O)C(O)OC(COS(=O)(=O)O)C2O)C1O
InChI KeyDOYIXAFUGUAQSM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent monosaccharides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl sulfates
  • hemiacetals
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • alcohol
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • monosaccharide
  • oxacycle
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • sulfate-ester
  • hemiacetal
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • oxane
  • sulfuric acid ester
  • organoheterocyclic compound