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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:53:40 UTC
Update Date2025-03-25 00:51:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02186870
Frequency0.5
Structure
Chemical FormulaC9H17N7O
Molecular Mass239.1495
SMILESNCCCCNc1nc(N)nc(N)c1NC=O
InChI KeyXGZONRQRVPPCNL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass n-arylamides
Direct Parent n-arylamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
  • pyrimidines and pyrimidine derivatives
  • secondary alkylarylamines
  • secondary carboxylic acid amides
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • n-arylamide
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organopnictogen compound
  • imidolactam
  • organoheterocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • carboxamide group
  • secondary aliphatic/aromatic amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • primary amine
  • amine
  • organooxygen compound