Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:29:41 UTC
Update Date2025-03-21 18:41:16 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00133373
Frequency27.4
Structure
Chemical FormulaC8H9N3O3
Molecular Mass195.0644
SMILESCn1c(=O)[nH]c(=O)c2c(CO)c[nH]c21
InChI KeyLNUIGBBAHJRVIH-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
  • lactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrimidones
  • pyrroles
  • vinylogous amides
  • Substituents
  • aromatic alcohol
  • alcohol
  • vinylogous amide
  • carbonic acid derivative
  • lactam
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • pyrimidine
  • organic oxide
  • pyrrolo[2,3-d]pyrimidine
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrrole
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound