DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:32 UTC
Update Date	2025-03-25 00:57:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225572
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀N₂O₂S
Molecular Mass	280.1245
SMILES	CC(C)C(N)C(=O)NC(Cc1ccccc1)C(=O)S
InChI Key	BVRUNSZJIIBHPY-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	alkylthiols alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbodithioic acids carbonyl compounds carbothioic s-acids carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds organosulfur compounds secondary carboxylic acid amides thiocarboxylic acids and derivatives thiolactones valine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide organosulfur compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound thiolactone amphetamine or derivatives n-acyl-alpha amino acid or derivatives thiocarboxylic acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid valine or derivatives carbodithioic acid carboxamide group n-acyl-amine carbothioic s-acid aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound alkylthiol organooxygen compound

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