Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:55:40 UTC
Update Date2025-03-24 20:32:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01479226
Frequency0.9
Structure
Chemical FormulaC6H8O2S
Molecular Mass144.0245
SMILESCC1(C(=O)O)CC=CS1
InChI KeyLBQRKZGAKGLUMV-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