DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:34:24 UTC
Update Date	2025-03-21 17:56:36 UTC
HMDB ID	HMDB0011166
Metabolite Identification
DeepMet ID	DMID00002400
Name	L-beta-aspartyl-L-leucine
Frequency	2687.6
Structure
Chemical Formula	C₁₀H₁₈N₂O₅
Molecular Mass	246.1216
SMILES	CC(C)CC(NC(=O)CC(N)C(=O)O)C(=O)O
InChI Key	IYJILWQAFPUBHP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative 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 n-acyl-alpha-amino acid carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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