DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:08 UTC
Update Date	2025-03-21 18:41:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00136632
Frequency	18.3
Structure
Chemical Formula	C₉H₁₄N₂O₇S
Molecular Mass	294.0522
SMILES	NC(CCC(=O)NC(CSC(=O)O)C(=O)O)C(=O)O
InChI Key	XAKQVRUXNQMWFH-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 acids carbonyl compounds carboxylic acids cysteine and derivatives dicarboxylic acids and derivatives fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic carbonic acids and derivatives organic oxides organic thiocarbonic acid derivatives organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thiolactones
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives thiocarbonic acid derivative fatty amide fatty acid alpha-amino acid or derivatives organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound thiolactone n-acyl-alpha amino acid or derivatives carbonic acid derivative sulfenyl compound n-acyl-alpha-amino acid carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound cysteine or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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