Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:00:13 UTC
Update Date2025-03-24 22:27:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01203223
Frequency1.1
Structure
Chemical FormulaC7H10OS
Molecular Mass142.0452
SMILESCCC1C=C(C)C(=O)S1
InChI KeyFNKRBWSPIDSAPV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrothiophenes
Subclass dihydrothiophenes
Direct Parent dihydrothiophenes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carbothioic s-lactones
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • thioesters
  • thiolactones
  • Substituents
  • carbothioic s-lactone
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • thiocarboxylic acid ester
  • 2,5-dihydrothiophene
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • thiolactone
  • organooxygen compound