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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 07:29:48 UTC
Update Date2025-03-24 22:14:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01129494
Frequency1.2
Structure
Chemical FormulaC7H13NO
Molecular Mass127.0997
SMILESOCCN1C=CCCC1
InChI KeyLDNQWUMQICCTKP-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
  • alcohols and polyols
  • azacyclic compounds
  • enamines
  • hydrocarbon derivatives
  • organopnictogen compounds
  • trialkylamines
  • Substituents
  • alcohol
  • azacycle
  • 1,2-aminoalcohol
  • tertiary aliphatic amine
  • tetrahydropyridine
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • tertiary amine
  • organooxygen compound
  • alkanolamine
  • enamine