DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:38:14 UTC
Update Date	2025-03-24 20:50:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01582291
Frequency	0.8
Structure
Chemical Formula	C₅₄H₈₃N₁₅O₁₀
Molecular Mass	1101.6447
SMILES	CCC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(N)CCCNC(=N)N)C(Cc1ccccc1)NC(=O)C(CO)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)O
InChI Key	PBKKYSPRXVVWMP-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 arginine and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids fatty amides guanidines hydrocarbon derivatives imines monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines n-alkylpyrrolidines organic oxides organopnictogen compounds peptides phenylalanine and derivatives primary alcohols proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides serine and derivatives tertiary carboxylic acid amides trialkylamines
Substituents	monocyclic benzene moiety carboxylic acid amino acid or derivatives alpha-amino acid or derivatives alpha peptide organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives alcohol polypeptide alpha-amino acid amide azacycle n-acyl-alpha-amino acid tertiary aliphatic amine n-substituted-alpha-amino acid 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 amino acid guanidine imine fatty amide n-acylpyrrolidine carboxylic acid derivative organic oxide arginine or derivatives tertiary carboxylic acid amide organopnictogen compound pyrrolidine primary alcohol tertiary amine amphetamine or derivatives proline or derivatives n-alkylpyrrolidine carboximidamide carboxamide group monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound benzenoid organic nitrogen compound serine or derivatives organooxygen compound

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