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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:44:12 UTC
Update Date2025-03-25 01:33:15 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02442109
Frequency0.5
Structure
Chemical FormulaC4H5NOS
Molecular Mass115.0092
SMILESNC1=CSCC1=O
InChI KeyISDIKKBETFDZLC-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
  • cyclic ketones
  • dihydrothiophenes
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • thioenol ethers
    • Substituents
  • vinylogous thioester
  • carbonyl group
  • 2,3-dihydrothiophene
  • cyclic ketone
  • ketone
  • organic oxide
  • thioenolether
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound