Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:57:14 UTC
Update Date2025-03-24 21:24:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01771103
Frequency0.7
Structure
Chemical FormulaC4H2O3S
Molecular Mass129.9725
SMILESO=C1C=C(O)C(=O)S1
InChI KeyIFKCAGNCTPPLPH-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 and derivatives
  • hydrocarbon derivatives
  • organic oxides
  • thiocarboxylic acids and derivatives
  • thiolactones
  • vinylogous acids
  • Substituents
  • thiocarboxylic acid or derivatives
  • carbonyl group
  • 2,5-dihydrothiophene
  • carboxylic acid derivative
  • vinylogous acid
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • hydrocarbon derivative
  • thiolactone
  • organooxygen compound