Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:46:57 UTC
Update Date2025-03-25 00:49:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02171470
Frequency0.5
Structure
Chemical FormulaC7H9N3O4
Molecular Mass199.0593
SMILESCN(C)c1c(C(=O)O)[nH]c(=O)[nH]c1=O
InChI KeyYEISHPLKFCURHG-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
  • aminopyrimidines and derivatives
  • azacyclic compounds
  • carboxylic acids
  • dialkylarylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • monocarboxylic acids and derivatives
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • pyrimidones
  • vinylogous amides
  • Substituents
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • amino acid
  • pyrimidone
  • carboxylic acid derivative
  • organic oxide
  • tertiary aliphatic/aromatic amine
  • organonitrogen compound
  • organopnictogen compound
  • dialkylarylamine
  • pyrimidine-6-carboxylic acid
  • tertiary amine
  • vinylogous amide
  • carbonic acid derivative
  • azacycle
  • heteroaromatic compound
  • aminopyrimidine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound