DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:55 UTC
Update Date	2025-03-25 00:48:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169094
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃N₃O₂
Molecular Mass	277.179
SMILES	CC(C)CC(N)C(=O)NC(N)CC(=O)c1ccccc1
InChI Key	HBMFYFQLHDZGRZ-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	leucine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl-phenylketones alpha amino acid amides alpha amino acids aryl alkyl ketones benzoyl derivatives carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group aryl alkyl ketone fatty amide benzoyl ketone organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide carboxamide group n-acyl-amine phenylketone aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound alkyl-phenylketone organooxygen compound aryl ketone

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