DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:48 UTC
Update Date	2025-03-25 00:59:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237386
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₁N₃O₆
Molecular Mass	399.143
SMILES	Nc1ccccc1C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	ROVROHJRGQQHBU-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	alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives aspartic acid and derivatives benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary amines secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid or derivatives amino acid fatty amide benzoyl alpha-amino acid or derivatives benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives vinylogous amide alpha-amino acid amide n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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