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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 11:40:36 UTC
Update Date2025-03-24 21:17:21 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01731736
Frequency0.7
Structure
Chemical FormulaC5H8N2O2
Molecular Mass128.0586
SMILESCOC(=O)C1CN=CN1
InChI KeyHDJOZRJKHMBVCU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid esters
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • formamidines
  • hydrocarbon derivatives
  • imidazolines
  • methyl esters
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • carbonyl group
  • amidine
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • methyl ester
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • alpha-amino acid ester
  • azacycle
  • organic 1,3-dipolar compound
  • carboximidamide
  • formamidine
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • 2-imidazoline
  • imidazoline
  • carboxylic acid ester
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound