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	DMID02156073
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₆N₂O₂S
Molecular Mass	252.0932
SMILES	CSCCC(NC(=O)c1ccccc1)C(N)=O
InChI Key	NBLKELFQDXBKFY-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	alpha amino acids benzoyl derivatives carbonyl compounds carboxylic acids and derivatives dialkylthioethers fatty amides hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides sulfenyl compounds
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group fatty amide 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 carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound thioether methionine or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

Showing information for DMID02156073