DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:54 UTC
Update Date	2025-03-25 00:51:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02185061
Frequency	0.5
Structure
Chemical Formula	C₂₅H₄₄N₁₀O₉
Molecular Mass	628.3293
SMILES	N=C(N)NCCCC(NC(=O)C(N)CC(=O)O)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC(N)=O)C(=O)O
InChI Key	HNHSJKOKCKBVSZ-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	alpha amino acid amides alpha amino acids arginine and derivatives asparagine and derivatives aspartic acid and derivatives azacyclic compounds carbonyl compounds carboximidamides carboxylic acids dicarboxylic acids and derivatives guanidines heterocyclic fatty acids hydrocarbon derivatives imines 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 carboxylic acid heterocyclic fatty acid guanidine imine fatty amide n-acylpyrrolidine fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide arginine or derivatives tertiary carboxylic acid amide aliphatic heteromonocyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives pyrrolidine 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 aspartic acid or derivatives dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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