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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:48:59 UTC
Update Date2025-03-25 00:49:43 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02176167
Frequency0.5
Structure
Chemical FormulaC13H23NO2S
Molecular Mass257.145
SMILESCCCCC=CC(=O)C(CCSC)NC(C)=O
InChI KeyUPNJNYYWDLGXFA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • acetamides
  • carboxylic acids and derivatives
  • dialkylthioethers
  • enones
  • hydrocarbon derivatives
  • ketones
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • sulfenyl compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • sulfenyl compound
  • dialkylthioether
  • alpha,beta-unsaturated ketone
  • organosulfur compound
  • carboxamide group
  • carboxylic acid derivative
  • ketone
  • secondary carboxylic acid amide
  • organic oxide
  • thioether
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • acetamide
  • enone