Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:02:10 UTC
Update Date2025-03-21 18:07:07 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00067339
Frequency45.2
Structure
Chemical FormulaC7H11N2O4P
Molecular Mass218.0456
SMILESCc1ncc(COP(=O)(O)O)nc1C
InChI KeyXHMKKDSNBJPDJY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classorganic phosphoric acids and derivatives
Subclass phosphate esters
Direct Parent monoalkyl phosphates
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • pyrazines
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • organic oxide
  • organic oxygen compound
  • monoalkyl phosphate
  • pyrazine
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organoheterocyclic compound
  • organooxygen compound