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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:34 UTC
Update Date2025-03-25 00:47:24 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02161430
Frequency0.5
Structure
Chemical FormulaC12H22N2O3
Molecular Mass242.163
SMILESNCCCCCC(=O)N1CCC(C(=O)O)CC1
InChI KeyXKSGEDGZVVTUHA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpiperidines
Subclass piperidinecarboxylic acids and derivatives
Direct Parent piperidinecarboxylic acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acylpiperidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • n-acyl-piperidine
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • piperidinecarboxylic acid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound