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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:26:13 UTC
Update Date2025-03-21 23:17:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00689236
Frequency2.3
Structure
Chemical FormulaC5H9NO
Molecular Mass99.0684
SMILESCNC=C(C)C=O
InChI KeyYLWYIKLACUBHLC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous amides
Subclass vinylogous amides
Direct Parent vinylogous amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • dialkylamines
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • vinylogous amide
  • aliphatic acyclic compound
  • secondary aliphatic amine
  • carbonyl group
  • aldehyde
  • secondary amine
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine