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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:44:00 UTC
Update Date2025-03-24 21:19:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01739926
Frequency0.7
Structure
Chemical FormulaC7H12OS
Molecular Mass144.0609
SMILESCSC=C(C=O)C(C)C
InChI KeySFLWJDLWMNLSDC-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
  • aldehydes
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • thioenol ethers
    • Substituents
  • vinylogous thioester
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • thioenolether
  • organic oxygen compound
  • sulfenyl compound
  • aldehyde
  • hydrocarbon derivative
  • organosulfur compound
  • organooxygen compound