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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:38:41 UTC
Update Date2025-03-25 00:46:01 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02152740
Frequency0.5
Structure
Chemical FormulaC21H31N7O5S2
Molecular Mass525.1828
SMILESN=C(N)NCCCC(NC(=O)C1CSSCC(N)C(=O)NC(Cc2ccccc2)C(=O)N1)C(=O)O
InChI KeyGTJUJVRWZSGGAF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganic polymers
Classpolypeptides
Subclass polypeptides
Direct Parent polypeptides
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alpha amino acids
  • arginine and derivatives
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboximidamides
  • carboxylic acids
  • cyclic peptides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • lactams
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl-alpha amino acids
  • organic disulfides
  • organic oxides
  • organopnictogen compounds
  • secondary carboxylic acid amides
    • Substituents
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • guanidine
  • imine
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • arginine or derivatives
  • organonitrogen compound
  • alpha-amino acid
  • organopnictogen compound
  • organoheterocyclic compound
  • n-acyl-alpha amino acid or derivatives
  • polypeptide
  • azacycle
  • n-acyl-alpha-amino acid
  • carboximidamide
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • cyclic alpha peptide
  • organic disulfide
  • hydrocarbon derivative
  • benzenoid
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound