DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:16 UTC
Update Date	2025-03-25 00:59:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236206
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₆ClNO₄S
Molecular Mass	329.0489
SMILES	CSCCC(NC(=O)C=Cc1ccc(O)c(Cl)c1)C(=O)O
InChI Key	DDMCFYSFLKFXJN-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	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids aryl chlorides carbonyl compounds carboxylic acids chlorobenzenes dialkylthioethers fatty acyls halophenols hydrocarbon derivatives hydroxy fatty acids hydroxycinnamic acids monocarboxylic acids and derivatives n-acyl-alpha amino acids o-chlorophenols organic oxides organochlorides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid organochloride 1-hydroxy-2-unsubstituted benzenoid organosulfur compound organohalogen compound hydroxycinnamic acid or derivatives cinnamic acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid n-acyl-alpha amino acid or derivatives aryl chloride 2-chlorophenol chlorobenzene sulfenyl compound n-acyl-alpha-amino acid dialkylthioether carboxamide group hydroxycinnamic acid aryl halide aromatic homomonocyclic compound 2-halophenol secondary carboxylic acid amide monocarboxylic acid or derivatives thia fatty acid organic oxygen compound thioether methionine or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound halobenzene organooxygen compound

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