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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:14 UTC
Update Date2025-03-25 00:46:37 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156345
Frequency0.5
Structure
Chemical FormulaC9H16NO2+
Molecular Mass170.1176
SMILESC[N+]12CCCC1C(C(=O)O)CC2
InChI KeyAUPVCGLUAFBMLM-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolizidines
Subclass pyrrolizidines
Direct Parent pyrrolizidines
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • pyrrolidine carboxylic acids
  • tetraalkylammonium salts
    • Substituents
  • carbonyl group
  • carboxylic acid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • pyrrolidine
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • quaternary ammonium salt
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • pyrrolizidine
  • organic nitrogen compound
  • amine
  • organooxygen compound