DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:34:27 UTC
Update Date	2025-03-21 17:56:37 UTC
HMDB ID	HMDB0028750
Metabolite Identification
DeepMet ID	DMID00002534
Name	Aspartyl-Cysteine
Frequency	2412.8
Structure
Chemical Formula	C₇H₁₂N₂O₅S
Molecular Mass	236.0467
SMILES	NC(CC(=O)O)C(=O)NC(CS)C(=O)O
InChI Key	FKBFDTRILNZGAI-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 aspartic acid and derivatives carbonyl compounds carboxylic acids cysteine and derivatives 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 organosulfur compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 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 cysteine or derivatives aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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