Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:26 UTC
Update Date2025-03-25 00:53:30 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02199968
Frequency0.5
Structure
Chemical FormulaC9H15N3O5
Molecular Mass245.1012
SMILESCn1c(C(O)C(O)C(O)CO)cc(=O)nc1N
InChI KeyYCEIJFCWRNYGAP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • primary amines
  • secondary alcohols
  • vinylogous amides
  • Substituents
  • aromatic alcohol
  • alcohol
  • vinylogous amide
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • primary alcohol
  • amine
  • organooxygen compound