DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:33:31 UTC
Update Date	2025-03-21 17:56:08 UTC
HMDB ID	HMDB0028735
Metabolite Identification
DeepMet ID	DMID00000302
Name	Asparaginyl-Leucine
Frequency	14793.4
Structure
Chemical Formula	C₁₀H₁₉N₃O₄
Molecular Mass	245.1376
SMILES	CC(C)CC(NC(=O)C(N)CC(N)=O)C(=O)O
InChI Key	HXWUJJADFMXNKA-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	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group branched fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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