Hmdb loader
Record Information
HMDB Statusexpected
Creation Date2024-02-20 23:54:20 UTC
Update Date2025-03-21 18:04:11 UTC
HMDB IDHMDB0040150
Metabolite Identification
DeepMet IDDMID00048951
NameDihydro-5-methyl-2(3H)-thiophenone
Frequency67.5
Structure
Chemical FormulaC5H8OS
Molecular Mass116.0296
SMILESCC1CCC(=O)S1
InChI KeyBNHNVGAUODLKKT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classthiolanes
Subclass thiolanes
Direct Parent thiolanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carbothioic s-lactones
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • thioesters
  • thiolactones
  • Substituents
  • thiolane
  • carbothioic s-lactone
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • thiocarboxylic acid ester
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • thiolactone
  • organooxygen compound