Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:59:13 UTC
Update Date2025-03-21 18:55:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00202430
Frequency11.0
Structure
Chemical FormulaC6H9NOS
Molecular Mass143.0405
SMILESNC(=O)CC1C=CCS1
InChI KeyZPRWCSTYMKDXHE-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
  • dialkylthioethers
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • carbonyl group
  • dialkylthioether
  • 2,5-dihydrothiophene
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • thioether
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound