Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:15 UTC
Update Date2025-03-25 00:46:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156360
Frequency0.5
Structure
Chemical FormulaC8H14NO2+
Molecular Mass156.1019
SMILESC[N+]1(C)C=CC(C(=O)O)CC1
InChI KeyOLTBTFWTFPOFOP-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • quaternary ammonium salts
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • quaternary ammonium salt
  • tetrahydropyridine
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organic cation
  • organic salt
  • amine
  • organooxygen compound