DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:34:14 UTC
Update Date	2025-03-21 17:56:32 UTC
HMDB ID	HMDB0029124
Metabolite Identification
DeepMet ID	DMID00002020
Name	Valylcysteine
Frequency	3046.6
Structure
Chemical Formula	C₈H₁₆N₂O₃S
Molecular Mass	220.0882
SMILES	CC(C)C(N)C(=O)NC(CS)C(=O)O
InChI Key	WPSXZFTVLIAPCN-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 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 secondary carboxylic acid amides valine and derivatives
Substituents	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 n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives 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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