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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:52:49 UTC
Update Date2025-03-21 18:03:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00045326
Frequency81.4
Structure
Chemical FormulaC8H9N5O4
Molecular Mass239.0655
SMILESNc1nc(=O)c2c([nH]1)NC(CC(=O)O)C(O)=N2
InChI KeyUPIPODUZYOWBCS-UHFFFAOYSA-N
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
  • carbonyl compounds
  • carboxylic acids
  • cyclic carboximidic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
  • secondary alkylarylamines
  • vinylogous amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • amino acid or derivatives
  • amino acid
  • pyrimidone
  • carboxylic acid derivative
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • organic 1,3-dipolar compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • cyclic carboximidic acid
  • amine
  • organooxygen compound