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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:17:36 UTC
Update Date2025-03-21 18:35:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00104449
Frequency25.9
Structure
Chemical FormulaC9H22N2O2+2
Molecular Mass190.167
SMILESC[N+](C)(C)CCCCCC[N+](=O)O
InChI KeyWCXKKWJACSUDJT-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
  • amines
  • c-nitro compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organic salts
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • tetraalkylammonium salt
  • organic nitro compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic oxoazanium
  • organic salt
  • amine
  • organic hyponitrite