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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:41:20 UTC
Update Date2025-03-24 17:55:47 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01013621
Frequency1.4
Structure
Chemical FormulaC3H5N4O2+
Molecular Mass129.0407
SMILESNC(=O)c1[nH][o+]nc1N
InChI KeyCKDFEDFKHZKXLH-UHFFFAOYSA-O
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass carboxylic acid derivatives
Direct Parent 2-heteroaryl carboxamides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • carboxylic acids and derivatives
  • furazans
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • imidolactams
  • organic cations
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • primary amines
  • primary carboxylic acid amides
  • vinylogous amides
  • Substituents
  • primary carboxylic acid amide
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • 2-heteroaryl carboxamide
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • organic cation
  • imidolactam
  • organoheterocyclic compound
  • azole
  • vinylogous amide
  • azacycle
  • heteroaromatic compound
  • organic oxygen compound
  • oxadiazole
  • hydrocarbon derivative
  • primary amine
  • organic nitrogen compound
  • amine
  • furazan
  • organooxygen compound