DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:09 UTC
Update Date	2025-03-25 00:46:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156158
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₄N₂O₅S
Molecular Mass	320.1406
SMILES	CSCCC(NC(=O)CCC(NC(C)=O)C(C)O)C(=O)O
InChI Key	DMBJQEKFASSJNU-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	methionine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	acetamides alpha amino acids carbonyl compounds carboxylic acids dialkylthioethers gamma amino acids and derivatives hydrocarbon derivatives hydroxy fatty acids monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives sulfenyl compounds thia fatty acids
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid gamma amino acid or derivatives fatty amide fatty acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid acetamide n-acyl-alpha amino acid or derivatives alcohol sulfenyl compound n-acyl-alpha-amino acid dialkylthioether carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether methionine or derivatives secondary alcohol hydrocarbon derivative organic nitrogen compound organooxygen compound

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