Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:42:17 UTC
Update Date2025-03-25 00:47:18 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02160803
Frequency0.5
Structure
Chemical FormulaC9H13N5O3
Molecular Mass239.1018
SMILESNc1nc2[nH]cc(C(O)C(O)CO)c2nc1N
InChI KeyQXILVWSWGBCAFH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolopyrazines
Subclass pyrrolopyrazines
Direct Parent pyrrolopyrazines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • aromatic alcohols
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organopnictogen compounds
  • primary alcohols
  • primary amines
  • pyrazines
  • pyrroles
  • secondary alcohols
  • Substituents
  • aromatic alcohol
  • alcohol
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrazine
  • pyrrole
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • primary alcohol
  • imidolactam
  • amine
  • pyrrolopyrazine
  • organooxygen compound