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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:44 UTC
Update Date2025-03-25 00:48:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02170983
Frequency0.5
Structure
Chemical FormulaC5H8O4S
Molecular Mass164.0143
SMILESCOC(=O)C(SC)C(=O)O
InChI KeyLIURFVBEWRAMMD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass dicarboxylic acids and derivatives
Direct Parent dicarboxylic acids and derivatives
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • hydrocarbon derivatives
  • methyl esters
  • organic oxides
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carboxylic acid
  • sulfenyl compound
  • dialkylthioether
  • organosulfur compound
  • organic oxide
  • methyl ester
  • organic oxygen compound
  • thioether
  • carboxylic acid ester
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • organooxygen compound