DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:53:49 UTC
Update Date	2025-03-24 21:23:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01763094
Frequency	0.7
Structure
Chemical Formula	C₅₁H₇₆N₁₆O₁₀
Molecular Mass	1072.593
SMILES	CC(C)CC(NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccc(O)cc1)C(N)=O
InChI Key	ICOHFXYKNNCIBB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic polymers
Class	polypeptides
Subclass	polypeptides
Direct Parent	polypeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amphetamines and derivatives arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids and derivatives guanidines heteroaromatic compounds hydrocarbon derivatives imidazoles imines leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tyrosine and derivatives
Substituents	monocyclic benzene moiety alpha-amino acid or derivatives alpha peptide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives polypeptide tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine pyrrolidine-2-carboxamide primary carboxylic acid amide fatty acyl carbonyl group aromatic heteromonocyclic compound guanidine imine fatty amide n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid carboxylic acid derivative organic oxide imidazole arginine or derivatives leucine or derivatives tertiary carboxylic acid amide organopnictogen compound pyrrolidine amphetamine or derivatives azole proline or derivatives carboximidamide carboxamide group n-acyl-amine phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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