DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:32:22 UTC
Update Date	2025-03-24 22:07:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01996164
Frequency	0.6
Structure
Chemical Formula	C₅₉H₇₈N₁₄O₁₅
Molecular Mass	1222.5771
SMILES	CCC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(=O)O)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N1C(=O)CCC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	HDIIKVLSGFMMBD-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	oligopeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives aspartic acid and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboximides dicarboxylic acids and derivatives guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles isoleucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines n-substituted carboxylic acid imides organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidine-2-ones pyrrolidinecarboxamides secondary carboxylic acid amides tyrosine and derivatives valine and derivatives
Substituents	2-pyrrolidone monocyclic benzene moiety carboxylic acid alpha-amino acid or derivatives organonitrogen compound alpha-amino acid pyrrolidone isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives heteroaromatic compound organic 1,3-dipolar compound n-substituted-alpha-amino acid carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives aspartic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide fatty acyl carbonyl group aromatic heteromonocyclic compound 3-phenylpropanoic-acid guanidine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid propargyl-type 1,3-dipolar organic compound organic oxide imidazole organopnictogen compound dicarboximide pyrrolidine carboxylic acid imide, n-substituted amphetamine or derivatives azole proline or derivatives carboximidamide carboxamide group n-acyl-amine phenylalanine or derivatives organic oxygen compound benzenoid alpha-oligopeptide organic nitrogen compound organooxygen compound

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