DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:37:10 UTC
Update Date	2025-03-21 17:57:35 UTC
HMDB ID	HMDB0028728
Metabolite Identification
DeepMet ID	DMID00008865
Name	Asparaginylcysteine
Frequency	548.8
Structure
Chemical Formula	C₇H₁₃N₃O₄S
Molecular Mass	235.0627
SMILES	NC(=O)CC(N)C(=O)NC(CS)C(=O)O
InChI Key	TWXZVVXRRRRSLT-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	alkylthiols alpha amino acid amides alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids cysteine and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds organosulfur 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 alpha-amino acid or derivatives organosulfur compound 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 monocarboxylic acid or derivatives organic oxygen compound cysteine or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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