DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:30:53 UTC
Update Date	2025-03-25 00:43:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02134801
Frequency	0.6
Structure
Chemical Formula	C₄₇H₆₇N₁₁O₁₄
Molecular Mass	1009.4869
SMILES	CCC(C)C(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(=O)C(=O)N1CCCC1C(NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	AWNMIRASCZHBAW-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives aspartic acid and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dialkylamines dicarboximides guanidines hydrocarbon derivatives isoleucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides tertiary carboxylic acid amides tricarboxylic acids and derivatives tyrosine and derivatives valine and derivatives
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives alpha-amino acid or derivatives carboxylic acid imide, n-unsubstituted organonitrogen compound alpha-amino acid isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives secondary aliphatic amine tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid valine or derivatives organic 1,3-dipolar compound n-substituted-alpha-amino acid carboxylic acid imide secondary carboxylic acid amide aspartic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine amine fatty acyl carbonyl group aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid guanidine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide tertiary carboxylic acid amide organopnictogen compound dicarboximide pyrrolidine amphetamine or derivatives carboximidamide secondary amine carboxamide group n-acyl-amine phenylalanine or derivatives organic oxygen compound hybrid peptide benzenoid organic nitrogen compound organooxygen compound

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