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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:01 UTC
Update Date2025-03-25 00:48:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02169325
Frequency0.5
Structure
Chemical FormulaC11H16ClN3O
Molecular Mass241.0982
SMILESCCN(CC)CC(=O)Nc1ccc(Cl)cn1
InChI KeyMOOZEXSPYLHASI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • alpha amino acids
  • aryl chlorides
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • methylpyridines
  • n-arylamides
  • organic oxides
  • organochlorides
  • organopnictogen compounds
  • polyhalopyridines
  • secondary carboxylic acid amides
  • trialkylamines
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • polyhalopyridine
  • organochloride
  • n-arylamide
  • organohalogen compound
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • 2-halopyridine
  • imidolactam
  • tertiary amine
  • organoheterocyclic compound
  • aryl chloride
  • alpha-amino acid amide
  • azacycle
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • carboxamide group
  • aryl halide
  • secondary carboxylic acid amide
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound