Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:54:28 UTC
Update Date2025-03-25 00:51:41 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02188700
Frequency0.5
Structure
Chemical FormulaC9H12N6O2
Molecular Mass236.1022
SMILESCC(O)CNc1ncnc2nc(N)[nH]c(=O)c12
InChI KeySBZBGLMGGRWLGC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • lactams
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • secondary alcohols
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • alcohol
  • vinylogous amide
  • lactam
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • secondary amine
  • secondary aliphatic/aromatic amine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound