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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:10 UTC
Update Date2025-03-25 00:50:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02183438
Frequency0.5
Structure
Chemical FormulaC9H14O10S2
Molecular Mass346.0028
SMILESO=C(O)CSC1CC(OS(=O)(=O)O)C(O)CC1(O)C(=O)O
InChI KeyKYTNVEZAGFJDBR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass alcohols and polyols
Direct Parent cyclohexanols
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • alpha hydroxy acids and derivatives
  • carbonyl compounds
  • carboxylic acids
  • cyclitols and derivatives
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • sulfuric acid monoesters
  • tertiary alcohols
    • Substituents
  • sulfuric acid monoester
  • carbonyl group
  • carboxylic acid
  • alpha-hydroxy acid
  • organosulfur compound
  • carboxylic acid derivative
  • organic oxide
  • alkyl sulfate
  • organic sulfuric acid or derivatives
  • sulfenyl compound
  • dialkylthioether
  • cyclohexanol
  • cyclitol or derivatives
  • hydroxy acid
  • cyclic alcohol
  • tertiary alcohol
  • thioether
  • aliphatic homomonocyclic compound
  • dicarboxylic acid or derivatives
  • sulfate-ester
  • hydrocarbon derivative
  • sulfuric acid ester