DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:34:04 UTC
Update Date	2025-03-21 17:56:29 UTC
HMDB ID	HMDB0028742
Metabolite Identification
DeepMet ID	DMID00001647
Name	Asparaginyl-Tryptophan
Frequency	3712.3
Structure
Chemical Formula	C₁₅H₁₈N₄O₄
Molecular Mass	318.1328
SMILES	NC(=O)CC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O
InChI Key	RGGVDKVXLBOLNS-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives azacyclic compounds benzenoids carbonyl compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides pyrroles secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl carbonyl group carboxylic acid indole fatty amide alpha-amino acid or derivatives organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives organoheterocyclic compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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