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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:40:06 UTC
Update Date2025-03-25 00:46:35 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02156051
Frequency0.5
Structure
Chemical FormulaC22H42N6O5S
Molecular Mass502.2937
SMILESCSCCC(N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)O
InChI KeyCVOIFOTZXRFNIQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic polymers
Classpolypeptides
Subclass polypeptides
Direct Parent polypeptides
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • medium-chain fatty acids
  • methionine and derivatives
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • peptides
  • proline and derivatives
  • pyrrolidinecarboxamides
  • secondary carboxylic acid amides
  • sulfenyl compounds
  • tertiary carboxylic acid amides
    • Substituents
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • fatty amide
  • n-acylpyrrolidine
  • fatty acid
  • alpha-amino acid or derivatives
  • organosulfur compound
  • carboxylic acid derivative
  • alpha peptide
  • organic oxide
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • pyrrolidine
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • proline or derivatives
  • polypeptide
  • alpha-amino acid amide
  • sulfenyl compound
  • azacycle
  • n-acyl-alpha-amino acid
  • dialkylthioether
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • methionine or derivatives
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • pyrrolidine-2-carboxamide
  • organooxygen compound