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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:45 UTC
Update Date2025-03-25 00:51:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02189349
Frequency0.5
Structure
Chemical FormulaC14H17N5O3
Molecular Mass303.1331
SMILESCC(C)c1ncccc1C(=O)Nc1c(N)[nH]c(=O)n(C)c1=O
InChI KeyAIQOYDAUNTZZSZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyridinecarboxylic acids and derivatives
Direct Parent pyridinecarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 2-halopyridines
  • amino acids and derivatives
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • methylpyridines
  • nicotinamides
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • polyhalopyridines
  • primary amines
  • pyrimidones
  • secondary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • pyridine carboxylic acid or derivatives
  • lactam
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • polyhalopyridine
  • nicotinamide
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • methylpyridine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound