Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:53:56 UTC
Update Date2025-03-21 18:04:02 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00048007
Frequency92.3
Structure
Chemical FormulaC5H6N4O3
Molecular Mass170.044
SMILESNc1nc(=O)c(C(=O)O)c(N)[nH]1
InChI KeyZJMGLWGBBXWRGJ-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
  • azacyclic compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • azacycle
  • amino acid or derivatives
  • amino acid
  • heteroaromatic compound
  • pyrimidone
  • pyrimidine-5-carboxylic acid
  • carboxylic acid derivative
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound