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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:43:18 UTC
Update Date2025-03-25 01:32:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02439967
Frequency0.5
Structure
Chemical FormulaC4H10O2S
Molecular Mass122.0402
SMILESCC[SH](C)C(=O)O
InChI KeyZCSXVVOSSXPQSK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolactones
Subclass thiolactones
Direct Parent thiolactones
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organosulfur compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • carbonic acid derivative
  • organic oxygen compound
  • hydrocarbon derivative
  • organosulfur compound
  • thiolactone
  • alkylthiol
  • organooxygen compound