Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:07:59 UTC
Update Date2025-03-25 00:56:39 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02219817
Frequency0.5
Structure
Chemical FormulaC17H30ClN6+
Molecular Mass353.2215
SMILESC[N+](C)(C)CCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1
InChI KeyDSSBYLCDMKKYEQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent 1-arylbiguanides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • amines
  • aryl chlorides
  • carboximidamides
  • chlorobenzenes
  • hydrocarbon derivatives
  • imines
  • organic cations
  • organic salts
  • organochlorides
  • organopnictogen compounds
  • tetraalkylammonium salts
  • Substituents
  • monocyclic benzene moiety
  • imine
  • organochloride
  • organohalogen compound
  • organopnictogen compound
  • 1-arylbiguanide
  • organic cation
  • organic salt
  • aryl chloride
  • chlorobenzene
  • tetraalkylammonium salt
  • quaternary ammonium salt
  • carboximidamide
  • aryl halide
  • aromatic homomonocyclic compound
  • hydrocarbon derivative
  • benzenoid
  • halobenzene
  • amine