Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:27 UTC
Update Date2025-03-25 00:53:29 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200021
Frequency0.5
Structure
Chemical FormulaC8H9N3O
Molecular Mass163.0746
SMILESCn1cc(CO)c2cncnc21
InChI KeyHYFDKTDEIDBTOR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrimidines
Subclass pyrrolo[2,3-d]pyrimidines
Direct Parent pyrrolo[2,3-d]pyrimidines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • n-methylpyrroles
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrimidines and pyrimidine derivatives
  • substituted pyrroles
  • Substituents
  • aromatic alcohol
  • alcohol
  • n-methylpyrrole
  • azacycle
  • heteroaromatic compound
  • substituted pyrrole
  • pyrimidine
  • pyrrolo[2,3-d]pyrimidine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound