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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:12:27 UTC
Update Date2025-03-21 18:32:38 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00091872
Frequency53.6
Structure
Chemical FormulaC5H11N3O2
Molecular Mass145.0851
SMILESCC(=O)OCCN=C(N)N
InChI KeyQKLKXWHTVKECLR-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