Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:06 UTC
Update Date2025-03-21 18:00:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00029228
Frequency128.1
Structure
Chemical FormulaC8H12N4O3
Molecular Mass212.0909
SMILESCC(O)C1CNc2[nH]c(N)nc(=O)c2O1
InChI KeyXXPJLNFPSBRKHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • alkyl aryl ethers
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • secondary alcohols
  • secondary alkylarylamines
  • vinylogous amides
  • Substituents
  • alcohol
  • vinylogous amide
  • ether
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • alkyl aryl ether
  • secondary amine
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxide
  • organic oxygen compound
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • secondary alcohol
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound