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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:56:49 UTC
Update Date2025-03-21 18:05:04 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00054599
Frequency58.9
Structure
Chemical FormulaC13H25NO20S3
Molecular Mass611.0132
SMILESO=S(=O)(O)NC1C(O)OC(COS(=O)(=O)O)C(OC2OC(C(O)CO)C(O)C(O)C2OS(=O)(=O)O)C1O
InChI KeyANAYDQUBYADHPR-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
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoamides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • monosaccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • oxacycle
  • sulfuric acid monoamide
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester