Hmdb loader
Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:17:03 UTC
Update Date2025-03-25 00:59:56 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02240220
Frequency0.5
Structure
Chemical FormulaC13H20N4O7
Molecular Mass344.1332
SMILESNC(CCC(=O)NC1CCC(C(=O)NCC(=O)O)NC1=O)C(=O)O
InChI KeyORZYBTNAPWNJOH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic polymers
Classpolypeptides
Subclass polypeptides
Direct Parent polypeptides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • acyl glycines
  • alpha amino acid amides
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • delta lactams
  • dicarboxylic acids and derivatives
  • glutamine and derivatives
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • monoalkylamines
  • n-acyl amines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • peptides
  • piperidinecarboxamides
  • piperidinones
  • secondary carboxylic acid amides
  • Substituents
  • fatty acyl
  • carbonyl group
  • lactam
  • carboxylic acid
  • glutamine or derivatives
  • heterocyclic fatty acid
  • fatty amide
  • fatty acid
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • alpha peptide
  • organic oxide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • piperidinone
  • piperidine
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • polypeptide
  • alpha-amino acid amide
  • azacycle
  • n-acyl-alpha-amino acid
  • piperidinecarboxamide
  • carboxamide group
  • n-acyl-amine
  • n-acylglycine
  • delta-lactam
  • secondary carboxylic acid amide
  • organic oxygen compound
  • dicarboxylic acid or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • 2-piperidinecarboxamide
  • organooxygen compound