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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:01 UTC
Update Date2025-03-25 00:46:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155872
Frequency0.5
Structure
Chemical FormulaC6H15N2O2+
Molecular Mass147.1128
SMILESC[N+](C)(C)CCCON=O
InChI KeyANCOIQNQVXTSJN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass quaternary ammonium salts
Direct Parent tetraalkylammonium salts
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alkyl nitrites
  • amines
  • hydrocarbon derivatives
  • nitrite esters
  • organic o-nitroso compounds
  • organic cations
  • organic oxides
  • organic salts
  • organooxygen compounds
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • organic nitroso compound
  • tetraalkylammonium salt
  • organic nitrite
  • alkyl nitrite
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • nitrite ester
  • organic cation
  • organic salt
  • amine
  • organooxygen compound
  • organic o-nitroso compound