Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:20:47 UTC
Update Date2025-03-25 00:39:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02111380
Frequency0.6
Structure
Chemical FormulaC7H12OS
Molecular Mass144.0609
SMILESCC1SC(C)(C)CC1=O
InChI KeyBMJGNBJCWWDXAR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolanes
Subclass thiolanes
Direct Parent thiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • Substituents
  • thiolane
  • carbonyl group
  • dialkylthioether
  • cyclic ketone
  • ketone
  • organic oxide
  • organic oxygen compound
  • thioether
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound