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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:47:15 UTC
Update Date2025-03-25 00:49:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02172169
Frequency0.5
Structure
Chemical FormulaC12H15N7O3
Molecular Mass305.1236
SMILESCN1CCN(c2nc3nc(N)[nH]c(=O)c3nc2C(=O)O)CC1
InChI KeyNKEITMFYMIUCEB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterin carboxylates
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • amino acids
  • aminopyrazines
  • azacyclic compounds
  • carboxylic acids
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • monocarboxylic acids and derivatives
  • n-arylpiperazines
  • n-methylpiperazines
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrazine carboxylic acids
  • pyrimidones
  • trialkylamines
  • vinylogous amides
    • Substituents
  • lactam
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • piperazine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • imidolactam
  • tertiary amine
  • vinylogous amide
  • aminopyrazine
  • azacycle
  • n-alkylpiperazine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • n-methylpiperazine
  • pterin-6-carboxylate
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrazine
  • 1,4-diazinane
  • pyrazine carboxylic acid
  • pyrazine carboxylic acid or derivatives
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • n-arylpiperazine
  • organooxygen compound