DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:38:58 UTC
Update Date	2025-03-21 17:58:14 UTC
HMDB ID	HMDB0240342
Metabolite Identification
DeepMet ID	DMID00013123
Name	N-Acetylkynurenine
Frequency	388.3
Structure
Chemical Formula	C₁₂H₁₄N₂O₄
Molecular Mass	250.0954
SMILES	CC(=O)NC(CC(=O)c1ccccc1N)C(=O)O
InChI Key	PPIMFXHQDQRWGJ-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acetamides alkyl-phenylketones alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids gamma-keto acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid benzoyl ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide vinylogous amide n-acyl-alpha-amino acid carboxamide group phenylketone gamma-keto acid butyrophenone aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound keto acid hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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