DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:34:50 UTC
Update Date	2025-03-21 17:56:45 UTC
HMDB ID	HMDB0011162
Metabolite Identification
DeepMet ID	DMID00003458
Name	L-beta-aspartyl-L-alanine
Frequency	1763.6
Structure
Chemical Formula	C₇H₁₂N₂O₅
Molecular Mass	204.0746
SMILES	CC(NC(=O)CC(N)C(=O)O)C(=O)O
InChI Key	ARSVRKCVNFIICJ-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	alanine and derivatives alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives 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 organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hybrid peptide alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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