DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:07 UTC
Update Date	2025-03-25 00:46:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156069
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₀N₂O₅S
Molecular Mass	340.1093
SMILES	CSCCC(NC(=O)c1ccc(NC(C)C(=O)O)cc1)C(=O)O
InChI Key	NGVWGRJRZAPSRH-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	alanine and derivatives alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboxylic acids dialkylthioethers dicarboxylic acids and derivatives fatty acyls hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines secondary alkylarylamines secondary carboxylic acid amides sulfenyl compounds thia fatty acids
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl organosulfur compound benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives sulfenyl compound n-acyl-alpha-amino acid dialkylthioether hippuric acid or derivatives benzoic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine aromatic homomonocyclic compound secondary carboxylic acid amide thia fatty acid organic oxygen compound thioether methionine or derivatives dicarboxylic acid or derivatives phenylalkylamine alanine or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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