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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:33 UTC
Update Date2025-03-21 18:00:57 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00030266
Frequency122.9
Structure
Chemical FormulaC7H18N4
Molecular Mass158.1531
SMILESCN=C(NC)NCCCCN
InChI KeyLQZTVUYNHNNUQV-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
  • imines
  • monoalkylamines
  • organopnictogen compounds
  • propargyl-type 1,3-dipolar organic compounds
    • Substituents
  • aliphatic acyclic compound
  • guanidine
  • imine
  • organopnictogen compound
  • hydrocarbon derivative
  • organic 1,3-dipolar compound
  • primary aliphatic amine
  • carboximidamide
  • propargyl-type 1,3-dipolar organic compound