Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:09 UTC
Update Date2025-03-21 17:58:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00015741
Frequency282.4
Structure
Chemical FormulaC9H11N5O3
Molecular Mass237.0862
SMILESCC(O)C(=O)C1CN=c2[nH]c(N)nc(=O)c2=N1
InChI KeyAFXSYHDXMGMGJF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpteridines and derivatives
Subclass pterins and derivatives
Direct Parent pterins and derivatives
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • acyloins
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • ketones
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrimidones
  • secondary alcohols
  • vinylogous amides
  • Substituents
  • carbonyl group
  • pyrimidone
  • pyrimidine
  • ketone
  • organic oxide
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • imidolactam
  • alcohol
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • acyloin
  • secondary alcohol
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound