DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:29:44 UTC
Update Date	2025-03-24 22:05:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01990111
Frequency	0.6
Structure
Chemical Formula	C₄₇H₇₃N₁₅O₁₂
Molecular Mass	1039.5563
SMILES	CC(C)CC(NC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1C(=O)C(=O)NC(CCCNC(=N)N)C(NC(=O)CNC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(N)CCCNC(=N)N)C(=O)O)C(=O)O
InChI Key	REIOSUKHUZKRSR-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amino fatty acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives fatty amides guanidines heterocyclic fatty acids hydrocarbon derivatives imines leucine and derivatives medium-chain fatty acids methyl-branched fatty acids monoalkylamines n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organopnictogen compounds phenylalanine and derivatives proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid guanidine imine fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide leucine or derivatives tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives methyl-branched fatty acid alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboximidamide carboxamide group amino fatty acid branched fatty acid n-substituted-alpha-amino acid secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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