Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:25:43 UTC
Update Date2025-03-21 18:39:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00123976
Frequency20.8
Structure
Chemical FormulaC6H7N3O3
Molecular Mass169.0487
SMILESCn1c(N)c(C=O)c(=O)[nH]c1=O
InChI KeyVMSBYLLCLNLWEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidinecarboxylic acids and derivatives
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl-aldehydes
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • carbonic acid derivative
  • lactam
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • aldehyde
  • pyrimidine-5-carboxylic acid or derivatives
  • organic oxide
  • aryl-aldehyde
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound