Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:47:24 UTC
Update Date2025-03-24 17:58:17 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01027914
Frequency1.4
Structure
Chemical FormulaC4H7N4O+
Molecular Mass127.0614
SMILESCNc1ncnc(N)[o+]1
InChI KeyWNSDULLVKAQNOY-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass amines
Direct Parent secondary alkylarylamines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic cations
  • organooxygen compounds
  • organopnictogen compounds
  • oxacyclic compounds
  • primary amines
  • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • heteroaromatic compound
  • secondary aliphatic/aromatic amine
  • oxacycle
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary amine
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound