DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:53 UTC
Update Date	2025-03-25 00:57:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226380
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉NO₅S
Molecular Mass	325.0984
SMILES	CC(CSCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	USWLJOJDKWHFHY-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary carboxylic acid amides sulfenyl compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives sulfenyl compound n-acyl-alpha-amino acid dialkylthioether carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound thioether dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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