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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:51:41 UTC
Update Date2025-03-25 00:50:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02182378
Frequency0.5
Structure
Chemical FormulaC12H20O21S3
Molecular Mass595.9659
SMILESO=C(O)C1OC(O)C(O)C(OS(=O)(=O)O)C1OC1C(COS(=O)(=O)O)OC(O)C(OS(=O)(=O)O)C1O
InChI KeyQPWVFCNIKBTEGD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbohydrates and carbohydrate conjugates
Direct Parent glucuronic acid derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids
  • dialkyl ethers
  • hemiacetals
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • pyran carboxylic acids
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • ether
  • carboxylic acid
  • glucuronic acid or derivatives
  • monosaccharide
  • carboxylic acid derivative
  • pyran carboxylic acid
  • dialkyl ether
  • organic oxide
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • pyran carboxylic acid or derivatives
  • organic sulfuric acid or derivatives
  • oxacycle
  • monocarboxylic acid or derivatives
  • pyran
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester