DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:35:48 UTC
Update Date	2025-03-24 22:08:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02004501
Frequency	0.6
Structure
Chemical Formula	C₄₆H₆₅N₁₁O₁₁
Molecular Mass	947.4865
SMILES	CCC(C)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(=O)O)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)C(C)C
InChI Key	XVLMXFFTKVUQPO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteropolycyclic 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 dicarboxylic acids and derivatives guanidines heteroaromatic compounds hydrocarbon derivatives indoles isoleucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrroles pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides valine and derivatives
Substituents	monocyclic benzene moiety carboxylic acid alpha-amino acid or derivatives alpha peptide organonitrogen compound alpha-amino acid isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide 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 secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives pyrrole aspartic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide fatty acyl carbonyl group indole guanidine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organopnictogen compound pyrrolidine amphetamine or derivatives proline or derivatives indole or derivatives carboximidamide carboxamide group n-acyl-amine organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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