Hmdb loader
Record Information
HMDB Statusdetected
Creation Date2024-02-20 23:34:20 UTC
Update Date2025-03-21 17:56:34 UTC
HMDB IDHMDB0000704
Metabolite Identification
DeepMet IDDMID00002242
NameIsoxanthopterin
Frequency3149.3
Structure
Chemical FormulaC6H5N5O2
Molecular Mass179.0443
SMILESNc1nc2[nH]c(=O)cnc2c(=O)[nH]1
InChI KeyGLKCOBIIZKYKFN-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
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrazines
  • pyrimidones
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • pterin
  • lactam
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • pyrazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound