Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:27 UTC
Update Date2025-03-21 18:03:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00044425
Frequency76.1
Structure
Chemical FormulaC8H18N+
Molecular Mass128.1434
SMILESC[N+]1(C)CCCCCC1
InChI KeyDTAFFHPSEGEQRY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazepanes
Subclass azepanes
Direct Parent azepanes
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • tetraalkylammonium salt
  • azacycle
  • quaternary ammonium salt
  • azepane
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine