Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:30:59 UTC
Update Date2025-03-21 18:41:49 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00136313
Frequency18.4
Structure
Chemical FormulaC6H8O2S
Molecular Mass144.0245
SMILESCC1=C(C(=O)O)SCC1
InChI KeyHGFPJMDZDMTDDG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdihydrothiophenes
Subclass dihydrothiophenes
Direct Parent dihydrothiophenes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • thioenol ethers
  • Substituents
  • carbonyl group
  • carboxylic acid
  • 2,3-dihydrothiophene
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • thioenolether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • organooxygen compound