DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:34:51 UTC
Update Date	2025-03-21 17:56:46 UTC
HMDB ID	HMDB0028740
Metabolite Identification
DeepMet ID	DMID00003490
Name	Asparaginyl-Serine
Frequency	1743.2
Structure
Chemical Formula	C₇H₁₃N₃O₅
Molecular Mass	219.0855
SMILES	NC(=O)CC(N)C(=O)NC(CO)C(=O)O
InChI Key	SONUFGRSSMFHFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	dipeptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary alcohols primary carboxylic acid amides secondary carboxylic acid amides serine and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives 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 alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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