DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:24 UTC
Update Date	2025-03-25 00:53:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202152
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₂O₂S
Molecular Mass	254.1089
SMILES	CS(=O)CCC(N)C(=O)NCc1ccccc1
InChI Key	VVGMNMPPDMPXAL-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	alpha amino acid amides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides sulfinyl compounds sulfoxides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide organosulfur compound organic oxide sulfinyl compound organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound sulfoxide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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