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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 16:54:54 UTC
Update Date2025-03-25 01:37:51 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02466940
Frequency0.5
Structure
Chemical FormulaC4H5N3O
Molecular Mass111.0433
SMILESNC(N)=NC=C=C=O
InChI KeyVFZYXRLGYSVOQC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent guanidines
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • carboximidamides
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • guanidine
  • organic 1,3-dipolar compound
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • organic oxygen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organooxygen compound