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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:27:49 UTC
Update Date2025-03-25 01:51:55 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02543725
Frequency0.5
Structure
Chemical FormulaC6H11NO2+
Molecular Mass129.0784
SMILESCC=CC(=O)C[N+](C)O
InChI KeyVFEHOOOEKWMDGR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass acryloyl compounds
Direct Parent acryloyl compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • enones
  • hydrocarbon derivatives
  • ketones
  • n-organohydroxylamines
  • organic cations
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • alpha,beta-unsaturated ketone
  • n-organohydroxylamine
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • acryloyl-group
  • organic nitrogen compound
  • organic cation
  • enone