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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:00:30 UTC
Update Date2025-03-25 00:32:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02063220
Frequency0.6
Structure
Chemical FormulaC5H12O2S
Molecular Mass136.0558
SMILESCCOC(=O)[SH](C)C
InChI KeyUZYXKIDMMYLYRK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthioacetals
Subclass monothioacetals
Direct Parent monothioacetals
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkylthiols
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organosulfur compounds
  • thiolactones
    • Substituents
  • monothioacetal
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • carbonic acid derivative
  • organic oxygen compound
  • hydrocarbon derivative
  • thiolactone
  • alkylthiol
  • organooxygen compound