Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 04:38:40 UTC
Update Date2025-03-24 13:59:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00719411
Frequency2.1
Structure
Chemical FormulaC5H7N3O2
Molecular Mass141.0538
SMILESCOc1cnc(O)nc1N
InChI KeyNGOCBWZVBNMKES-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent hydroxypyrimidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • Substituents
  • ether
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • hydroxypyrimidine
  • alkyl aryl ether
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound