Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:44:02 UTC
Update Date2025-03-25 00:47:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02164796
Frequency0.5
Structure
Chemical FormulaC9H14N4O3
Molecular Mass226.1066
SMILESCC(O)C(O)C1Nc2ncnc(N)c2C1O
InChI KeyJIIXEPWBDLFJCS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolopyrimidines
Direct Parent pyrrolopyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary amines
  • pyrimidines and pyrimidine derivatives
  • pyrroles
  • secondary alcohols
  • secondary alkylarylamines
  • Substituents
  • alcohol
  • azacycle
  • heteroaromatic compound
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • pyrrolopyrimidine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound