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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:48:25 UTC
Update Date2025-03-21 22:57:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00600527
Frequency2.7
Structure
Chemical FormulaC5H8O2S
Molecular Mass132.0245
SMILESCOC(=O)C=CSC
InChI KeyKAFIOMPFBSDFPP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous thioesters
Subclass vinylogous thioesters
Direct Parent vinylogous thioesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • enoate esters
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • sulfenyl compounds
  • thioenol ethers
    • Substituents
  • enoate ester
  • vinylogous thioester
  • aliphatic acyclic compound
  • carbonyl group
  • sulfenyl compound
  • organosulfur compound
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • thioenolether
  • organic oxygen compound
  • carboxylic acid ester
  • hydrocarbon derivative
  • organooxygen compound