DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:45:09 UTC
Update Date	2025-03-25 01:10:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02304526
Frequency	0.5
Structure
Chemical Formula	C₃₀H₄₄N₈O₁₉S₂
Molecular Mass	884.2164
SMILES	NC(CCC(=O)NC(CCC(=O)C(=O)O)NC(CSSCC(NC(=O)CCC(C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
InChI Key	KWEKTRFNLGVPIK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	1,3-dicarbonyl compounds acyl glycines alpha amino acid amides alpha amino acids alpha-hydroxy ketones alpha-keto acids and derivatives amino acids carboxylic acids cysteine and derivatives dialkylamines dialkyldisulfides dipeptides glutamine and derivatives hexacarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives amino acid or derivatives amino acid fatty amide alpha-amino acid or derivatives organosulfur compound alpha-hydroxy ketone carboxylic acid derivative ketone organic oxide organonitrogen compound alpha-keto acid alpha-amino acid organopnictogen compound hexacarboxylic acid or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid secondary amine carboxamide group n-acyl-amine n-acylglycine n-substituted-alpha-amino acid alpha-dipeptide secondary carboxylic acid amide dialkyldisulfide organic oxygen compound organic disulfide keto acid cysteine or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound amine

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