DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:38:14 UTC
Update Date	2025-03-24 20:50:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01582284
Frequency	0.8
Structure
Chemical Formula	C₄₇H₆₀N₆O₁₀
Molecular Mass	868.4371
SMILES	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(=O)NC(CO)C(Cc1ccccc1)NC(=O)C1CCCN1C(Cc1ccccc1)C(=O)CO)C(=O)O
InChI Key	AJWYVMNRIKIPHM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,3-aminoalcohols alpha amino acid amides alpha amino acids alpha-amino ketones alpha-hydroxy ketones amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carboxylic acids fatty amides hydrocarbon derivatives leucine and derivatives monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids n-acylpyrrolidines n-alkylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides trialkylamines
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives monosaccharide alpha-amino acid or derivatives alpha-hydroxy ketone alpha peptide ketone saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol polypeptide 1,3-aminoalcohol alpha-amino acid amide azacycle n-acyl-alpha-amino acid tertiary aliphatic amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives hydrocarbon derivative pyrrolidine-2-carboxamide amine fatty acyl carbonyl group aromatic heteromonocyclic compound amino acid fatty amide n-acylpyrrolidine carboxylic acid derivative organic oxide alpha-aminoketone leucine or derivatives tertiary carboxylic acid amide organopnictogen compound pyrrolidine primary alcohol tertiary amine amphetamine or derivatives proline or derivatives n-alkylpyrrolidine carboxamide group monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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