Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:43:13 UTC
Update Date2025-03-21 17:59:40 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00022503
Frequency176.2
Structure
Chemical FormulaC5H7N3O
Molecular Mass125.0589
SMILESCn1cc(C(N)=O)cn1
InChI KeyJHAHAUYJIIKYIC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classazoles
Subclass pyrazoles
Direct Parent pyrazoles
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • primary carboxylic acid amide
  • vinylogous amide
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • carboxylic acid derivative
  • pyrazole
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound