DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:28:36 UTC
Update Date	2025-03-24 22:05:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01987345
Frequency	0.6
Structure
Chemical Formula	C₅₆H₈₂N₁₄O₁₄
Molecular Mass	1174.6135
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(Cc1cnc[nH]1)C(=O)NC(=O)C(=O)N1CCCC1C(NC(Cc1ccc(O)cc1)C(=O)O)C(C)CC
InChI Key	MJFCNJDQQVFHNY-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 amino acids amphetamines and derivatives aspartic acid and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dialkylamines 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-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 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 heteroaromatic compound organic 1,3-dipolar compound n-substituted-alpha-amino acid carboxylic acid imide secondary carboxylic acid amide aspartic acid or derivatives dicarboxylic 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 propargyl-type 1,3-dipolar organic compound organic oxide imidazole tertiary carboxylic acid amide organopnictogen compound dicarboximide pyrrolidine amphetamine or derivatives azole carboximidamide secondary amine carboxamide group n-acyl-amine phenylalanine or derivatives organic oxygen compound benzenoid alpha-oligopeptide organic nitrogen compound organooxygen compound

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