Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 10:04:49 UTC
Update Date2025-03-24 20:35:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01501143
Frequency0.9
Structure
Chemical FormulaC4H5N3O
Molecular Mass111.0433
SMILESNc1c[nH]nc1C=O
InChI KeySLGJCTPVWIUXME-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic oxygen compounds
Classorganooxygen compounds
Subclass carbonyl compounds
Direct Parent aryl-aldehydes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • pyrazoles
  • vinylogous amides
  • Substituents
  • vinylogous amide
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • pyrazole
  • organic oxide
  • aryl-aldehyde
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • organoheterocyclic compound
  • azole