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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:21:11 UTC
Update Date2025-03-21 19:12:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00253552
Frequency8.2
Structure
Chemical FormulaC4H7NO2
Molecular Mass101.0477
SMILESCC(=O)C(N)C=O
InChI KeyABVMCPHZERUEKA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta ketoaldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • hydrocarbon derivatives
  • ketones
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • beta-ketoaldehyde
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • 1,3-dicarbonyl compound