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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:46:02 UTC
Update Date2025-03-24 17:57:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01024575
Frequency1.4
Structure
Chemical FormulaC4H5N3O2
Molecular Mass127.0382
SMILESNC1C(=O)N=CNC1=O
InChI KeyNVAMGZHAYTZQBT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • 1,3-dicarbonyl compounds
  • azacyclic compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • hydropyrimidines
  • monoalkylamines
  • n-acylimines
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
  • pyrimidones
    • Substituents
  • n-acylimine
  • carbonyl group
  • pyrimidone
  • pyrimidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • hydropyrimidine
  • organopnictogen compound
  • organoheterocyclic compound
  • 1,4,5,6-tetrahydropyrimidine
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • 1,3-dicarbonyl compound
  • organooxygen compound