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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:41:59 UTC
Update Date2025-03-25 00:47:12 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160156
Frequency0.5
Structure
Chemical FormulaC6H7N3O4
Molecular Mass185.0437
SMILESNc1nc(=O)[nH]c(CO)c1C(=O)O
InChI KeyLTZPVQUSRCQZEX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidinecarboxylic acids
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • aromatic alcohols
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • vinylogous amides
  • Substituents
  • aromatic alcohol
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • pyrimidone
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • pyrimidine-5-carboxylic acid
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound