Hmdb loader

Showing information for DMID01991000

Record Information
HMDB StatusNot Available
Creation Date2024-02-21 13:30:08 UTC
Update Date2025-03-24 22:06:05 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01991000
Frequency0.6
Structure
Chemical FormulaC44H61N13O15S3
Molecular Mass1107.3572
SMILESN=C(O)CCC1NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(OS(=O)(=O)O)cc2)NC(=O)C(N)CSSCC(C(=O)N2CCCC2C(=O)NC(CCCNC(=N)N)C(=O)O)NC(=O)C(CC(=N)O)NC1=O
InChI KeyBPSWANVAPXVZGI-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
  • arginine and derivatives
  • azacyclic compounds
  • carbonyl compounds
  • carboximidamides
  • carboximidic acids
  • carboxylic acids
  • cyclic peptides
  • guanidines
  • hydrocarbon derivatives
  • imines
  • lactams
  • macrolactams
  • monoalkylamines
  • monocarboxylic acids and derivatives
  • n-acyl-alpha amino acids
  • n-acylpyrrolidines
  • organic disulfides
  • organic oxides
  • organopnictogen compounds
  • phenoxy compounds
  • phenylsulfates
  • proline and derivatives
  • pyrrolidinecarboxamides
  • secondary carboxylic acid amides
  • sulfuric acid monoesters
  • tertiary carboxylic acid amides
    • Substituents
  • carboximidic acid
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • lactam
  • carboxylic acid
  • aromatic heteromonocyclic compound
  • guanidine
  • imine
  • n-acylpyrrolidine
  • alpha-amino acid or derivatives
  • carboxylic acid derivative
  • macrolactam
  • phenylsulfate
  • organic oxide
  • arginine or derivatives
  • 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
  • carboximidamide
  • carboxamide group
  • secondary carboxylic acid amide
  • monocarboxylic acid or derivatives
  • 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