Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:24:49 UTC
Update Date2025-03-25 00:41:06 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02120760
Frequency0.6
Structure
Chemical FormulaC5H6N4O+
Molecular Mass138.0536
SMILESNC(=O)C1=C(N)N=C[N+]=C1
InChI KeyNYUAAEVLOFRIBP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classvinylogous amides
Subclass vinylogous amides
Direct Parent vinylogous amides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • monoalkylamines
  • organic cations
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • primary carboxylic acid amides
  • Substituents
  • primary carboxylic acid amide
  • vinylogous amide
  • carbonyl group
  • azacycle
  • carboxamide group
  • carboxylic acid derivative
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organic cation
  • organoheterocyclic compound
  • organooxygen compound