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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:18:10 UTC
Update Date2025-03-25 01:00:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02242789
Frequency0.5
Structure
Chemical FormulaC6H7NO2S
Molecular Mass157.0197
SMILESCC(=O)C1=CSCN1C=O
InChI KeyOIAXIYQJSFOZQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous thioesters
Subclass vinylogous thioesters
Direct Parent vinylogous thioesters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • thiazolines
  • thioenol ethers
  • thiohemiaminal derivatives
    • Substituents
  • vinylogous thioester
  • carbonyl group
  • meta-thiazoline
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • thioenolether
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • hemithioaminal
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound