DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:35:40 UTC
Update Date	2025-03-21 17:57:03 UTC
HMDB ID	HMDB0011169
Metabolite Identification
DeepMet ID	DMID00005396
Name	L-beta-aspartyl-L-threonine
Frequency	1002.3
Structure
Chemical Formula	C₈H₁₄N₂O₆
Molecular Mass	234.0852
SMILES	CC(O)C(NC(=O)CC(N)C(=O)O)C(=O)O
InChI Key	XPMVVZFGFJOFSL-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 beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative beta-hydroxy acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid asparagine or derivatives n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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