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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 08:50:49 UTC
Update Date2025-03-25 00:26:28 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01325205
Frequency1.0
Structure
Chemical FormulaC46H65N13O15S3
Molecular Mass1135.3885
SMILESNCCCCC(NC(=O)C1CCCN1C(=O)C1CSSCC(N)C(=O)NC(Cc2ccc(OS(=O)(=O)O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChI KeyUFOZAPHVVUJNLN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic polymers
Classpolypeptides
Subclass polypeptides
Direct Parent polypeptides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acid amides
  • alpha amino acids
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • cyclic peptides
  • hydrocarbon derivatives
  • lactams
  • macrolactams
  • monoalkylamines
  • n-acyl amines
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic disulfides
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • primary carboxylic acid amides
  • proline and derivatives
  • pyrrolidinecarboxamides
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
  • tertiary carboxylic acid amides
    • Substituents
  • primary carboxylic acid amide
  • fatty acyl
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • fatty amide
  • n-acylpyrrolidine
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • macrolactam
  • phenylsulfate
  • organic oxide
  • tertiary carboxylic acid amide
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • arylsulfate
  • pyrrolidine
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • proline or derivatives
  • polypeptide
  • organic sulfuric acid or derivatives
  • alpha-amino acid amide
  • azacycle
  • n-acyl-alpha-amino acid
  • carboxamide group
  • n-acyl-amine
  • n-substituted-alpha-amino acid
  • secondary carboxylic acid amide
  • pyrrolidine carboxylic acid or derivatives
  • organic oxygen compound
  • cyclic alpha peptide
  • organic disulfide
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • pyrrolidine-2-carboxamide
  • phenoxy compound
  • sulfuric acid ester
  • organooxygen compound