Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:22 UTC
Update Date2025-03-21 18:32:36 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091670
Frequency30.6
Structure
Chemical FormulaC4H7N5O
Molecular Mass141.0651
SMILESNc1nc(=O)[nH]c(N)c1N
InChI KeyZQBHGSSAKLGUBH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classdiazines
Subclass pyrimidines and pyrimidine derivatives
Direct Parent pyrimidones
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic carbonic acids and derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • Substituents
  • carbonic acid derivative
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrimidone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • imidolactam
  • amine
  • organooxygen compound