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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:04:44 UTC
Update Date2025-03-25 00:55:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02212306
Frequency0.5
Structure
Chemical FormulaC27H56NO3+
Molecular Mass442.4255
SMILESCCCCCCCCCCCCCCCCCCCCCOC(=O)OCC[N+](C)(C)C
InChI KeyPKMKKGQKCLZSRT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic carbonic acids and derivatives
Subclass carbonic acid diesters
Direct Parent carbonic acid diesters
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • amines
  • carbonyl compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • carbonic acid diester
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound