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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:55:52 UTC
Update Date2025-03-21 18:53:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00194662
Frequency11.6
Structure
Chemical FormulaC4H6O2S
Molecular Mass118.0088
SMILESC=CCSC(=O)O
InChI KeyKLFSBISUVGTRQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolactones
Subclass thiolactones
Direct Parent thiolactones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • allyl sulfur compounds
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organic thiocarbonic acid derivatives
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • carbonic acid derivative
  • sulfenyl compound
  • thiocarbonic acid derivative
  • allyl sulfur compound
  • organosulfur compound
  • organic oxide
  • organic oxygen compound
  • hydrocarbon derivative
  • thiolactone
  • organooxygen compound