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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:12:54 UTC
Update Date2025-03-24 20:39:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01521102
Frequency0.8
Structure
Chemical FormulaC4H9NO+
Molecular Mass87.0679
SMILESC[N+](C)CC=O
InChI KeyYVAYVQAFTTXKTH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass organonitrogen compounds
Direct Parent organonitrogen compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aldehydes
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • aldehyde
  • hydrocarbon derivative
  • organic cation
  • organooxygen compound