Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:09 UTC
Update Date2025-03-21 18:39:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00125007
Frequency20.5
Structure
Chemical FormulaC7H10OS
Molecular Mass142.0452
SMILESCC(=O)CC1C=CCS1
InChI KeyHPEXSBPVNHCXQE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrothiophenes
Subclass dihydrothiophenes
Direct Parent dihydrothiophenes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • Substituents
  • ketone
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • thioether
  • dialkylthioether
  • aliphatic heteromonocyclic compound
  • 2,5-dihydrothiophene
  • hydrocarbon derivative
  • organooxygen compound