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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 01:10:58 UTC
Update Date2025-03-21 19:06:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00229504
Frequency9.4
Structure
Chemical FormulaC6H12N+
Molecular Mass98.0964
SMILESC[N+]1(C)C=CCC1
InChI KeyIIPZFKPTBXDQSG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolines
Subclass pyrrolines
Direct Parent pyrrolines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • quaternary ammonium salts
    • Substituents
  • azacycle
  • quaternary ammonium salt
  • pyrroline
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine