DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:38:03 UTC
Update Date	2025-03-21 17:57:54 UTC
HMDB ID	HMDB0011163
Metabolite Identification
DeepMet ID	DMID00010962
Name	L-beta-aspartyl-L-aspartic acid
Frequency	473.1
Structure
Chemical Formula	C₈H₁₂N₂O₇
Molecular Mass	248.0645
SMILES	NC(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)O
InChI Key	KXAWLANLJYMEGB-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 aspartic acid and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide tricarboxylic acid or derivatives 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 aspartic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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