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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:43:18 UTC
Update Date2025-03-25 00:47:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02163145
Frequency0.5
Structure
Chemical FormulaC12H20O18S2
Molecular Mass516.0091
SMILESO=C(O)C1(OCC2OC(O)C(O)C(O)C2OS(=O)(=O)O)OC(COS(=O)(=O)O)C(O)C1O
InChI KeySEPKOPLDTZNWBV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classhydroxy acids and derivatives
Subclass beta hydroxy acids and derivatives
Direct Parent beta hydroxy acids and derivatives
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • carbonyl compounds
  • carboxylic acids
  • hemiacetals
  • hydrocarbon derivatives
  • ketals
  • monocarboxylic acids and derivatives
  • monosaccharides
  • organic oxides
  • oxacyclic compounds
  • oxanes
  • secondary alcohols
  • sulfuric acid monoesters
  • tetrahydrofurans
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • monosaccharide
  • carboxylic acid derivative
  • beta-hydroxy acid
  • saccharide
  • organic oxide
  • acetal
  • ketal
  • alkyl sulfate
  • aliphatic heteromonocyclic compound
  • hemiacetal
  • oxane
  • organoheterocyclic compound
  • alcohol
  • organic sulfuric acid or derivatives
  • tetrahydrofuran
  • oxacycle
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester
  • organooxygen compound