DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:35:04 UTC
Update Date	2025-03-21 17:56:50 UTC
HMDB ID	HMDB0028727
Metabolite Identification
DeepMet ID	DMID00003997
Name	Asparaginylaspartic acid
Frequency	1450.8
Structure
Chemical Formula	C₈H₁₃N₃O₆
Molecular Mass	247.0804
SMILES	NC(=O)CC(N)C(=O)NC(CC(=O)O)C(=O)O
InChI Key	HZYFHQOWCFUSOV-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 aspartic acid 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 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 n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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