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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 12:12:07 UTC
Update Date2025-03-24 21:31:45 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01806289
Frequency0.7
Structure
Chemical FormulaC7H10OS
Molecular Mass142.0452
SMILESC=CC(=O)C1CCSC1
InChI KeyYHIZZHHSMPYYRK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolanes
Subclass thiolanes
Direct Parent thiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha,beta-unsaturated ketones
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
    • Substituents
  • thiolane
  • carbonyl group
  • dialkylthioether
  • alpha,beta-unsaturated ketone
  • ketone
  • organic oxide
  • organic oxygen compound
  • thioether
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound