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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:31:31 UTC
Update Date2025-03-21 18:42:03 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00137526
Frequency37.6
Structure
Chemical FormulaC7H7N5O4
Molecular Mass225.0498
SMILESNc1nc(=O)c2nc(C(O)C(=O)O)[nH]c2[nH]1
InChI KeyZYPIOLNDVVNEIK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classimidazopyrimidines
Subclass purines and purine derivatives
Direct Parent hypoxanthines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alpha hydroxy acids and derivatives
  • amino acids
  • aromatic alcohols
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • purines and purine derivatives
  • pyrimidones
  • secondary alcohols
  • vinylogous amides
  • Substituents
  • aromatic alcohol
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • alpha-hydroxy acid
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • organic oxide
  • aromatic heteropolycyclic compound
  • imidazole
  • organonitrogen compound
  • organopnictogen compound
  • azole
  • alcohol
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • hydroxy acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hypoxanthine
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound