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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:26 UTC
Update Date2025-03-21 18:35:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104047
Frequency26.1
Structure
Chemical FormulaC8H10O6S
Molecular Mass234.0198
SMILESO=C(O)C(=O)CCCSCC(=O)C(=O)O
InChI KeySRZUMJVPGYTMOF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classketo acids and derivatives
Subclass short-chain keto acids and derivatives
Direct Parent short-chain keto acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydroxy ketones
  • alpha-keto acids and derivatives
  • carboxylic acids
  • dialkylthioethers
  • dicarboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • dialkylthioether
  • short-chain keto acid
  • organosulfur compound
  • alpha-hydroxy ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organic oxygen compound
  • thioether
  • alpha-keto acid
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • organooxygen compound