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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:16 UTC
Update Date2025-03-25 00:57:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225040
Frequency0.5
Structure
Chemical FormulaC13H11N6O3+
Molecular Mass299.0887
SMILESNc1nc2ncc(C[n+]3cccc(C(=O)O)c3)nc2c(=O)[nH]1
InChI KeyHGXCAYHWQDHQFN-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • lactams
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrazines
  • pyridine-3-carboxylic acids
  • pyrimidones
  • vinylogous amides
  • Substituents
  • pyridine carboxylic acid or derivatives
  • lactam
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • pyridine-3-carboxylic acid
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • hydroxypyridine
  • monocarboxylic acid or derivatives
  • pyridine
  • organic oxygen compound
  • pyrazine
  • pyridine carboxylic acid
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound