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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:11:37 UTC
Update Date2025-03-21 19:06:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00230967
Frequency9.3
Structure
Chemical FormulaC4H9NO2
Molecular Mass103.0633
SMILESNCC(O)CC=O
InChI KeyRGNKYOMZCDXLCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent beta-hydroxy aldehydes
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alpha-hydrogen aldehydes
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary alcohols
    • Substituents
  • alcohol
  • aliphatic acyclic compound
  • beta-hydroxy aldehyde
  • organic oxide
  • alpha-hydrogen aldehyde
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound