DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:46:12 UTC
Update Date	2025-03-25 01:10:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02306929
Frequency	0.5
Structure
Chemical Formula	C₅₇H₈₀N₁₆O₁₀
Molecular Mass	1148.6243
SMILES	CCC(C)C(NC(=O)C(NC(=O)C(N)CCCN=C(N)N)C(C)C)C(=O)NC(Cc1cnc[nH]1)C(=O)N1CCCC1C(Cc1cnc[nH]1)NC(Cc1ccccc1)C(=O)NC(=O)C(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	QTUFUMSXPDIFCV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dialkylamines dicarboximides guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles isoleucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds peptides phenylalanine and derivatives phenylpropanoic acids proline and derivatives propargyl-type 1,3-dipolar organic compounds pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides valine and derivatives
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives alpha-amino acid or derivatives alpha peptide 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 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 carboxylic acid imide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide amine fatty acyl carbonyl group aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid guanidine fatty amide n-acylpyrrolidine carboxylic acid derivative propargyl-type 1,3-dipolar organic compound organic oxide imidazole tertiary carboxylic acid amide organopnictogen compound dicarboximide pyrrolidine amphetamine or derivatives azole proline or derivatives carboximidamide secondary amine carboxamide group n-acyl-amine monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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