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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:28:36 UTC
Update Date2025-03-21 18:40:42 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00130888
Frequency19.4
Structure
Chemical FormulaC21H36ClN9O2
Molecular Mass481.268
SMILESN=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NCCCCC(N)C(=O)O
InChI KeyXQCSCAWIGHNGJR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic nitrogen compounds
Classorganonitrogen compounds
Subclass guanidines
Direct Parent 1-arylbiguanides
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alpha amino acids
  • aryl chlorides
  • carbocyclic fatty acids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • chlorobenzenes
  • halogenated fatty acids
  • hydrocarbon derivatives
  • imines
  • medium-chain fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • organic oxides
  • organochlorides
  • organopnictogen compounds
    • Substituents
  • fatty acyl
  • carbocyclic fatty acid
  • monocyclic benzene moiety
  • carbonyl group
  • carboxylic acid
  • imine
  • organochloride
  • fatty acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organohalogen compound
  • organic oxide
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • 1-arylbiguanide
  • aryl chloride
  • chlorobenzene
  • halogenated fatty acid
  • carboximidamide
  • aryl halide
  • aromatic homomonocyclic compound
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • halobenzene
  • organooxygen compound