Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:20:36 UTC
Update Date2025-03-24 22:01:53 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01968138
Frequency0.6
Structure
Chemical FormulaC4H7N3O
Molecular Mass113.0589
SMILESNCCc1cnno1
InChI KeyCBBWVVMSZPNPHL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classheteroaromatic compounds
Subclass heteroaromatic compounds
Direct Parent heteroaromatic compounds
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,2,3-oxadiazoles
  • azacyclic compounds
  • hydrocarbon derivatives
  • monoalkylamines
  • organonitrogen compounds
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • oxacycle
  • organic oxygen compound
  • organonitrogen compound
  • 1,2,3-oxadiazole
  • oxadiazole
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • azole