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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:28:00 UTC
Update Date2025-03-24 21:11:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01701341
Frequency0.7
Structure
Chemical FormulaC6H7NOS
Molecular Mass141.0248
SMILESC=CC(=O)C1=NCSC1
InChI KeyBCDDPEIJHPDFCI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazolines
Subclass thiazolines
Direct Parent thiazolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha,beta-unsaturated ketones
  • azacyclic compounds
  • dialkylthioethers
  • hydrocarbon derivatives
  • ketimines
  • ketones
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • ketimine
  • carbonyl group
  • meta-thiazoline
  • azacycle
  • imine
  • dialkylthioether
  • organic 1,3-dipolar compound
  • alpha,beta-unsaturated ketone
  • propargyl-type 1,3-dipolar organic compound
  • ketone
  • organic oxide
  • organic oxygen compound
  • thioether
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound