Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 17:14:40 UTC
Update Date2025-03-25 01:46:23 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02513387
Frequency0.5
Structure
Chemical FormulaC4H5N3O3
Molecular Mass143.0331
SMILESNc1c(C(=O)O)ncn1O
InChI KeyXXDGONFXHDSYBL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass imidazoles
Direct Parent carbonylimidazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidazoles
  • monocarboxylic acids and derivatives
  • n-substituted imidazoles
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • vinylogous amides
  • Substituents
  • carbonyl group
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • imidazole-4-carbonyl group
  • n-substituted imidazole
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound