DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:16:03 UTC
Update Date	2025-03-21 18:34:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00100626
Frequency	27.2
Structure
Chemical Formula	C₁₅H₁₉N₃O₄
Molecular Mass	305.1376
SMILES	Nc1ccccc1C(=O)CC(NC(=O)C1CCCN1)C(=O)O
InChI Key	WJJRXXHACLTRJS-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 heteromonocyclic compounds
Alternative Parents	alkyl-phenylketones alpha amino acid amides alpha amino acids amino acids aryl alkyl ketones azacyclic compounds benzoyl derivatives butyrophenones carboxylic acids dialkylamines gamma-keto acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone aromatic heteromonocyclic compound amino acid or derivatives amino acid benzoyl alpha-amino acid or derivatives ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives proline or derivatives vinylogous amide secondary aliphatic amine alpha-amino acid amide azacycle n-acyl-alpha-amino acid secondary amine carboxamide group phenylketone gamma-keto acid butyrophenone alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound keto acid hydrocarbon derivative benzenoid primary amine organic nitrogen compound pyrrolidine-2-carboxamide amine alkyl-phenylketone organooxygen compound aryl ketone

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