DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:01:50 UTC
Update Date	2025-03-25 00:54:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02205427
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃N₃O₅S
Molecular Mass	369.1358
SMILES	NC(O)C(=O)CCSCC(N)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	YQDUQHGXNJUKIR-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	aromatic homomonocyclic compounds
Alternative Parents	alkanolamines alpha amino acid amides alpha amino acids alpha-hydroxy ketones amphetamines and derivatives benzene and substituted derivatives carboxylic acids cysteine and derivatives dialkylthioethers hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides sulfenyl compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid monosaccharide alpha-amino acid or derivatives organosulfur compound alpha-hydroxy ketone ketone saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alkanolamine n-acyl-alpha amino acid or derivatives sulfenyl compound alpha-amino acid amide n-acyl-alpha-amino acid dialkylthioether carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound thioether cysteine or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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