DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:24 UTC
Update Date	2025-03-21 18:42:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00137263
Frequency	18.2
Structure
Chemical Formula	C₁₅H₂₂N₂O₂S
Molecular Mass	294.1402
SMILES	CSCCC(NC(=O)C(N)Cc1ccccc1)C(C)=O
InChI Key	OJEAORLUBUXJQY-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 acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carboxylic acids and derivatives dialkylthioethers fatty amides hydrocarbon derivatives ketones monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfenyl compounds
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide organosulfur compound ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives sulfenyl compound alpha-amino acid amide dialkylthioether carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound thioether hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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