DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:49 UTC
Update Date	2025-03-21 18:05:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056964
Frequency	55.8
Structure
Chemical Formula	C₁₃H₁₆N₂O₄
Molecular Mass	264.111
SMILES	CC(=O)NC(CCC(=O)c1ccccc1N)C(=O)O
InChI Key	NKMAWPBJRZZGRI-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 amino fatty acids aryl alkyl ketones benzoyl derivatives butyrophenones carbocyclic fatty acids carboxylic acids hydrocarbon derivatives medium-chain fatty acids monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylbutylamines primary amines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl carbocyclic fatty acid monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid benzoyl fatty acid ketone organic oxide phenylbutylamine organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid acetamide vinylogous amide n-acyl-alpha-amino acid carboxamide group amino fatty acid phenylketone butyrophenone aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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