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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:10:46 UTC
Update Date2025-03-24 20:12:20 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01373245
Frequency0.9
Structure
Chemical FormulaC7H11NO2
Molecular Mass141.079
SMILESCOC(=O)C1=CNCCC1
InChI KeyOHOMMMWAZVAKNI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass hydropyridines
Direct Parent tetrahydropyridines
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • dialkylamines
  • enoate esters
  • hydrocarbon derivatives
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • vinylogous amides
    • Substituents
  • enoate ester
  • vinylogous amide
  • secondary aliphatic amine
  • carbonyl group
  • azacycle
  • amino acid or derivatives
  • tetrahydropyridine
  • secondary amine
  • carboxylic acid derivative
  • alpha,beta-unsaturated carboxylic ester
  • organic oxide
  • monocarboxylic acid or derivatives
  • methyl ester
  • organic oxygen compound
  • carboxylic acid ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound
  • amine