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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:27:54 UTC
Update Date2025-03-24 17:49:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00981518
Frequency1.4
Structure
Chemical FormulaC5H13N2O+
Molecular Mass117.1022
SMILESC[N+](=O)CCCCN
InChI KeyQYEFPPGKQYSYQM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganic oxoazanium compounds
Subclass organic oxoazanium compounds
Direct Parent organic oxoazanium compounds
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • aminoxides
  • hydrocarbon derivatives
  • monoalkylamines
  • organic cations
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • organic oxide
  • aminoxide
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium