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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:45:28 UTC
Update Date2025-03-25 00:48:25 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02168103
Frequency0.5
Structure
Chemical FormulaC19H33N7O6
Molecular Mass455.2492
SMILESCC(N)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)N1CC(O)CC1C(=O)O
InChI KeyPUKQPNFCQBARFR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic acids and derivatives
Classcarboxylic acids and derivatives
Subclass amino acids, peptides, and analogues
Direct Parent oligopeptides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alanine and derivatives
  • alpha amino acid amides
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • guanidines
  • hydrocarbon derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • proline and derivatives
  • propargyl-type 1,3-dipolar organic compounds
  • pyrrolidine carboxylic acids
  • pyrrolidinecarboxamides
  • secondary alcohols
  • secondary carboxylic acid amides
  • tertiary carboxylic acid amides
    • Substituents
  • carbonyl group
  • carboxylic acid
  • guanidine
  • n-acylpyrrolidine
  • alpha-amino acid or derivatives
  • propargyl-type 1,3-dipolar organic compound
  • organic oxide
  • pyrrolidine carboxylic acid
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • pyrrolidine
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • proline or derivatives
  • alcohol
  • alpha-amino acid amide
  • azacycle
  • n-acyl-alpha-amino acid
  • organic 1,3-dipolar compound
  • carboximidamide
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • alanine or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • alpha-oligopeptide
  • organic nitrogen compound
  • pyrrolidine-2-carboxamide
  • organooxygen compound