DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:47 UTC
Update Date	2025-03-25 00:49:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175704
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₃N₃O₈
Molecular Mass	409.1485
SMILES	NC(CC(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	OJQNHJXBYPKLRY-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	alpha amino acid amides alpha amino acids amphetamines and derivatives asparagine and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dipeptides glutamic acid and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid glutamic 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 hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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