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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:28 UTC
Update Date2025-03-25 00:56:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218595
Frequency0.5
Structure
Chemical FormulaC12H20N4O
Molecular Mass236.1637
SMILESCn1cnc(CC(N)C(=O)N2CCCCC2)c1
InChI KeySYIGFTHRBBFDAL-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
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monoalkylamines
  • n-acylpiperidines
  • n-substituted imidazoles
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary carboxylic acid amides
  • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • organic oxide
  • imidazole
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • piperidine
  • organoheterocyclic compound
  • azole
  • n-substituted imidazole
  • alpha-amino acid amide
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • n-acyl-piperidine
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound