Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:21:06 UTC
Update Date2025-03-25 01:01:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02249606
Frequency0.5
Structure
Chemical FormulaC6H13N2O2+
Molecular Mass145.0972
SMILESC[N+]1(C)CCC([N+](=O)[O-])C1
InChI KeyLLIHRPGAQVEILS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass n-alkylpyrrolidines
Direct Parent n-alkylpyrrolidines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • c-nitro compounds
  • hydrocarbon derivatives
  • organic cations
  • organic oxides
  • organic oxoanionic compounds
  • organic oxoazanium compounds
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • tetraalkylammonium salt
  • azacycle
  • n-alkylpyrrolidine
  • quaternary ammonium salt
  • organic nitro compound
  • organic oxide
  • organic oxygen compound
  • c-nitro compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic oxoazanium
  • organic salt
  • amine
  • organic hyponitrite