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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:07:36 UTC
Update Date2025-03-24 20:10:59 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01365408
Frequency1.0
Structure
Chemical FormulaC4H9NO
Molecular Mass87.0684
SMILESCN=C(C)OC
InChI KeyZVSTUQXCWRZVJO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboximidic acids and derivatives
Subclass imidoesters
Direct Parent imidoesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • hydrocarbon derivatives
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • organic nitrogen compound
  • imido ester
  • organooxygen compound
  • propargyl-type 1,3-dipolar organic compound