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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:40:27 UTC
Update Date2025-03-21 17:58:44 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00016373
Frequency261.1
Structure
Chemical FormulaC7H11N5O3
Molecular Mass213.0862
SMILESCC(=O)NC1=C(N)NNC(=O)N(C)C1=O
InChI KeyQMZWBTCSMWIXNL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent n-acyl-alpha amino acids
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acetamides
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • dicarboximides
  • hydrocarbon derivatives
  • monoalkylamines
  • n-acyl ureas
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • semicarbazides
  • vinylogous amides
  • Substituents
  • carbonyl group
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • dicarboximide
  • ureide
  • semicarbazide
  • organoheterocyclic compound
  • acetamide
  • vinylogous amide
  • n-acyl urea
  • carbonic acid derivative
  • azacycle
  • n-acyl-alpha-amino acid
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound