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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:59:37 UTC
Update Date2025-03-25 00:53:33 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02200381
Frequency0.5
Structure
Chemical FormulaC9H21N5O2
Molecular Mass231.1695
SMILESN=C(N)NCCCCC(N)C(=O)NCCO
InChI KeyBDFZAOXQBCDPRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent alpha amino acid amides
Geometric Descriptor aliphatic acyclic compounds
Alternative Parents
  • alcohols and polyols
  • alkanolamines
  • alpha amino acids
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids and derivatives
  • guanidines
  • hydrocarbon derivatives
  • imines
  • monoalkylamines
  • n-acyl amines
  • n-acylethanolamines
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • fatty acyl
  • aliphatic acyclic compound
  • carbonyl group
  • guanidine
  • imine
  • fatty amide
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • alkanolamine
  • alcohol
  • alpha-amino acid amide
  • carboximidamide
  • carboxamide group
  • n-acylethanolamine
  • n-acyl-amine
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound