Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:05:56 UTC
Update Date2025-03-24 16:39:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00928669
Frequency1.5
Structure
Chemical FormulaC7H14NO2+
Molecular Mass144.1019
SMILESC[N+]1(C)C=CC(O)C(O)C1
InChI KeyWNNANZSMSFLQQH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,2-aminoalcohols
  • 1,2-diols
  • amines
  • azacyclic compounds
  • hydrocarbon derivatives
  • organic cations
  • organic salts
  • organopnictogen compounds
  • quaternary ammonium salts
  • secondary alcohols
  • Substituents
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • quaternary ammonium salt
  • tetrahydropyridine
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound
  • 1,2-diol