Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:25:05 UTC
Update Date2025-03-25 00:41:11 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02121379
Frequency0.6
Structure
Chemical FormulaC5H8O2S
Molecular Mass132.0245
SMILESCS1(=O)=CC(=O)CC1
InChI KeyNLMLQFJIDZORTL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganosulfur compounds
Classthiocarbonyl compounds
Subclass thioaldehydes
Direct Parent thioaldehyde s-oxides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • cyclic ketones
  • hydrocarbon derivatives
  • organic oxides
  • organoheterocyclic compounds
  • organosulfur compounds
  • Substituents
  • carbonyl group
  • cyclic ketone
  • ketone
  • organic oxide
  • organic oxygen compound
  • thioaldehyde-s-oxide
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organoheterocyclic compound
  • organooxygen compound