Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 03:01:43 UTC
Update Date2025-03-21 22:04:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00489232
Frequency3.5
Structure
Chemical FormulaC7H13N2+
Molecular Mass125.1073
SMILESC[N+]1(C)CCCC1C#N
InChI KeyDJHSGBQMHOMPNW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha-aminonitriles
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • nitrile
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • quaternary ammonium salt
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • alpha-aminonitrile
  • organic salt
  • amine
  • carbonitrile