Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:26 UTC
Update Date2025-03-25 00:56:27 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02218510
Frequency0.5
Structure
Chemical FormulaC8H13N5O2
Molecular Mass211.1069
SMILESCNc1nc(=O)c2c([nH]1)NCC(CO)N2
InChI KeyYBHOAFANHZQGJU-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
  • organic oxides
  • organopnictogen compounds
  • primary alcohols
  • pyrimidones
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • alcohol
  • vinylogous amide
  • pterin
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • secondary amine
  • secondary aliphatic/aromatic amine
  • pyrimidine
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • primary alcohol
  • amine
  • organooxygen compound