DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:33 UTC
Update Date	2025-03-21 18:40:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00130761
Frequency	19.4
Structure
Chemical Formula	C₁₄H₁₇N₃O₆
Molecular Mass	323.1117
SMILES	Nc1ccccc1C(=O)CC(NC(=O)CC(N)C(=O)O)C(=O)O
InChI Key	TYAIDADNMNYDRO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl-phenylketones alpha amino acids amino acids aryl alkyl ketones asparagine and derivatives benzoyl derivatives butyrophenones carboxylic acids dicarboxylic acids and derivatives gamma-keto acids 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 amino acid or derivatives amino acid fatty amide benzoyl alpha-amino acid or derivatives carboxylic acid derivative ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives 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 secondary carboxylic acid amide organic oxygen compound keto acid dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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