DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:33:32 UTC
Update Date	2025-03-21 17:56:09 UTC
HMDB ID	HMDB0029122
Metabolite Identification
DeepMet ID	DMID00000365
Name	Valylasparagine
Frequency	13021.5
Structure
Chemical Formula	C₉H₁₇N₃O₄
Molecular Mass	231.1219
SMILES	CC(C)C(N)C(=O)NC(CC(N)=O)C(=O)O
InChI Key	WITCOKQIPFWQQD-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 branched fatty acids 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 carboxylic acid amides secondary carboxylic acid amides valine and derivatives
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carboxamide group branched fatty acid n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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