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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:48 UTC
Update Date2025-03-21 18:40:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00131377
Frequency19.3
Structure
Chemical FormulaC11H24NO2+
Molecular Mass202.1802
SMILESCCCCC(COC(C)=O)[N+](C)(C)C
InChI KeyBTBRUZZTFXCPFB-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
  • carbonyl compounds
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • tetraalkylammonium salt
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organopnictogen compound
  • hydrocarbon derivative
  • organic cation
  • organic salt
  • amine
  • organooxygen compound