Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:35 UTC
Update Date2025-03-25 00:45:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152473
Frequency0.5
Structure
Chemical FormulaC10H14OS
Molecular Mass182.0765
SMILESC=CCCCC1=C(C)CSC1=O
InChI KeyLWROAUDASPEORJ-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