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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:48:14 UTC
Update Date2025-03-25 00:27:48 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02034132
Frequency0.6
Structure
Chemical FormulaC4H9N3O2
Molecular Mass131.0695
SMILESNC(N)=NCCOC=O
InChI KeyVPNMJONBQOSPPW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent guanidines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carbonyl compounds
  • carboximidamides
  • carboxylic acid esters
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • organic oxides
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • carbonyl group
  • guanidine
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxylic acid derivative
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • carboxylic acid ester
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound