DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:33:36 UTC
Update Date	2025-03-24 22:07:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01999112
Frequency	0.6
Structure
Chemical Formula	C₄₂H₈₀N₁₆O₈
Molecular Mass	936.6345
SMILES	CCC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)C(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(N)=O
InChI Key	VKEQTUFFMLAKDR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds alpha amino acid amides alpha amino acids azacyclic compounds carboximidamides carboxylic acids and derivatives delta amino acids and derivatives guanidines hydrocarbon derivatives imines isoleucine and derivatives leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds primary carboxylic acid amides proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group guanidine imine fatty amide n-acylpyrrolidine alpha-amino acid or derivatives carboxylic acid derivative organic oxide leucine or derivatives tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound delta amino acid or derivatives pyrrolidine isoleucine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group n-acyl-amine n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound pyrrolidine-2-carboxamide organooxygen compound

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