DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:37:02 UTC
Update Date	2025-03-21 17:57:32 UTC
HMDB ID	HMDB0011168
Metabolite Identification
DeepMet ID	DMID00008549
Name	L-beta-aspartyl-L-serine
Frequency	663.8
Structure
Chemical Formula	C₇H₁₂N₂O₆
Molecular Mass	220.0695
SMILES	NC(CC(=O)NC(CO)C(=O)O)C(=O)O
InChI Key	NXUUVXVCYTVIQQ-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 fatty acids and conjugates hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary carboxylic acid amides serine and derivatives 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 asparagine or derivatives primary alcohol 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 dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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