Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:45:25 UTC
Update Date2025-03-25 01:10:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02305135
Frequency0.5
Structure
Chemical FormulaC7H10OS
Molecular Mass142.0452
SMILESCSC=C1CCCC1=O
InChI KeyCIGSIIMQUGVWEV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous thioesters
Subclass vinylogous thioesters
Direct Parent vinylogous thioesters
Geometric Descriptor aliphatic homomonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • sulfenyl compounds
  • thioenol ethers
  • Substituents
  • vinylogous thioester
  • carbonyl group
  • sulfenyl compound
  • cyclic ketone
  • organosulfur compound
  • ketone
  • organic oxide
  • thioenolether
  • organic oxygen compound
  • aliphatic homomonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound