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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:14 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172134
Frequency0.5
Structure
Chemical FormulaC13H21NO2
Molecular Mass223.1572
SMILESCN1C2CCC1C(C=CCCCC(=O)O)C2
InChI KeyXOFJKIJORMQCDW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classfatty acyls
Subclass fatty acids and conjugates
Direct Parent medium-chain fatty acids
Geometric Descriptor aliphatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • amino fatty acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • fatty acyls
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • heterocyclic fatty acid
  • carboxylic acid derivative
  • aliphatic heteropolycyclic compound
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • medium-chain fatty acid
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • tertiary aliphatic amine
  • amino fatty acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound