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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:50:01 UTC
Update Date2025-03-25 00:50:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02178593
Frequency0.5
Structure
Chemical FormulaC13H21NO18S2
Molecular Mass543.02
SMILESCOC1OC(C(=O)O)C(OC2C(COS(=O)(=O)O)OC(O)C(NS(=O)(=O)O)C2O)OC1C(=O)O
InChI KeyPJFSFAKUJJSUEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdioxanes
Subclass 1,4-dioxanes
Direct Parent 1,4-dioxanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetals
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids
  • dicarboxylic acids and derivatives
  • hemiacetals
  • hydrocarbon derivatives
  • monosaccharides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfuric acid monoamides
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • saccharide
  • organic oxide
  • acetal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hemiacetal
  • oxane
  • alcohol
  • organic sulfuric acid or derivatives
  • oxacycle
  • organic oxygen compound
  • para-dioxane
  • sulfuric acid monoamide
  • secondary alcohol
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • sulfuric acid ester
  • organooxygen compound