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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:49:16 UTC
Update Date2025-03-25 00:49:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176840
Frequency0.5
Structure
Chemical FormulaC6H6O4S
Molecular Mass173.9987
SMILESO=C1SCCC(C(=O)O)C1=O
InChI KeyGBQNJTZSICSJJQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthianes
Subclass thianes
Direct Parent thianes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • carbothioic s-lactones
  • carboxylic acids
  • cyclic ketones
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • thioesters
  • thiolactones
    • Substituents
  • carbothioic s-lactone
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • carboxylic acid
  • thiocarboxylic acid ester
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • 1,3-dicarbonyl compound
  • thiolactone
  • organooxygen compound
  • thiane