DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:38:24 UTC
Update Date	2025-03-21 17:58:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00011765
Frequency	391.0
Structure
Chemical Formula	C₁₅H₁₉N₃O₆
Molecular Mass	337.1274
SMILES	Nc1ccccc1C(=O)CC(NC(=O)CCC(N)C(=O)O)C(=O)O
InChI Key	SEFRFBPIGBNNFL-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl-phenylketones alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids dicarboxylic acids and derivatives gamma-keto acids and derivatives glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone glutamine or derivatives amino acid or derivatives amino acid fatty amide benzoyl alpha-amino acid or derivatives ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives vinylogous amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine phenylketone gamma-keto acid butyrophenone aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide organic oxygen compound keto acid dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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