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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:50 UTC
Update Date2025-03-25 00:47:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02162046
Frequency0.5
Structure
Chemical FormulaC13H22N3O+
Molecular Mass236.1757
SMILESC=CC1=C(C)C(=CNCC[N+](C)(C)C)NC1=O
InChI KeyWIVCCDQDSFWAHN-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dialkylamines
  • hydrocarbon derivatives
  • lactams
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • tetraalkylammonium salts
    • Substituents
  • carbonyl group
  • lactam
  • amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • secondary aliphatic amine
  • tetraalkylammonium salt
  • azacycle
  • quaternary ammonium salt
  • secondary amine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrroline
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound