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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:52:26 UTC
Update Date2025-03-25 00:50:58 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02184002
Frequency0.5
Structure
Chemical FormulaC23H42N6O5S
Molecular Mass514.2937
SMILESNC(CCCCNC(=O)C(N)CCCCNC(=O)CCCCCC1SCC2NC(=O)NC21)C(=O)O
InChI KeyRSIXUYQSKSTUFW-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 heteropolycyclic compounds
Alternative Parents
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids
  • dialkylthioethers
  • heterocyclic fatty acids
  • hydrocarbon derivatives
  • imidazolidinones
  • medium-chain fatty acids
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl amines
  • organic carbonic acids and derivatives
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • secondary carboxylic acid amides
  • thienoimidazolidines
  • thiolanes
  • thiophenes
    • Substituents
  • thiolane
  • imidazolidine
  • fatty acyl
  • carbonyl group
  • carboxylic acid
  • heterocyclic fatty acid
  • fatty amide
  • fatty acid
  • thiophene
  • aliphatic heteropolycyclic compound
  • imidazolidinone
  • organic oxide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • medium-chain fatty acid
  • organoheterocyclic compound
  • carbonic acid derivative
  • alpha-amino acid amide
  • azacycle
  • dialkylthioether
  • thienoimidazolidine
  • carboxamide group
  • n-acyl-amine
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • thioether
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound