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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:09 UTC
Update Date2025-03-25 01:01:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02252023
Frequency0.5
Structure
Chemical FormulaC12H23NO13S
Molecular Mass421.089
SMILESO=S(=O)(O)OCC1OC(O)C(NC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI KeyDOKVUWFXZQJQFO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent n-acyl-alpha-hexosamines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • dialkylamines
  • hemiacetals
  • hemiaminals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • primary alcohols
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • monosaccharide
  • hemiaminal
  • n-acyl-alpha-hexosamine
  • organic oxide
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • primary alcohol
  • organoheterocyclic compound
  • alcohol
  • secondary aliphatic amine
  • organic sulfuric acid or derivatives
  • secondary amine
  • oxacycle
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • amine