DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:51 UTC
Update Date	2025-03-21 18:06:37 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00064163
Frequency	48.0
Structure
Chemical Formula	C₁₄H₁₉N₃O₄
Molecular Mass	293.1376
SMILES	NCCCC(=O)NC(CC(=O)c1ccccc1N)C(=O)O
InChI Key	KZZHZPFSBVFOQT-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	alkyl-phenylketones alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids gamma amino acids and derivatives gamma-keto acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid gamma amino acid or derivatives fatty amide benzoyl ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine 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 aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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