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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:15:21 UTC
Update Date2025-03-25 00:59:19 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02236399
Frequency0.5
Structure
Chemical FormulaC11H15N6O3+
Molecular Mass279.12
SMILESC[N+](C)(C)C(C(=O)O)c1cnc2nc(N)[nH]c(=O)c2n1
InChI KeyUDMDHSCMIBXJJE-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
  • alpha amino acids
  • amino acids
  • aralkylamines
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic cations
  • organic oxides
  • organic salts
  • organopnictogen compounds
  • primary amines
  • pyrazines
  • pyrimidones
  • tetraalkylammonium salts
  • Substituents
  • carbonyl group
  • lactam
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • pyrimidone
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • aralkylamine
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • alpha-amino acid
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • organic salt
  • pterin
  • tetraalkylammonium salt
  • azacycle
  • quaternary ammonium salt
  • heteroaromatic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • pyrazine
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound