DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:33:56 UTC
Update Date	2025-03-21 17:56:26 UTC
HMDB ID	HMDB0028682
Metabolite Identification
DeepMet ID	DMID00001321
Name	Alanylasparagine
Frequency	4426.3
Structure
Chemical Formula	C₇H₁₃N₃O₄
Molecular Mass	203.0906
SMILES	CC(N)C(=O)NC(CC(N)=O)C(=O)O
InChI Key	CCUAQNUWXLYFRA-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	alanine and derivatives alpha amino acid amides alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids fatty acids and conjugates fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
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 carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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