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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:56:51 UTC
Update Date2025-03-24 21:24:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01770234
Frequency0.7
Structure
Chemical FormulaC4H8O2S
Molecular Mass120.0245
SMILESCC(C)OC(=O)S
InChI KeyHTEXOEMPGABQHS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolactones
Subclass thiolactones
Direct Parent thiolactones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organic thiocarbonic acid derivatives
  • organosulfur compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • carbonic acid derivative
  • organic oxygen compound
  • thiocarbonic acid derivative
  • hydrocarbon derivative
  • organosulfur compound
  • thiolactone
  • organooxygen compound