DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:55:08 UTC
Update Date	2025-03-25 00:51:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02190222
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₀N₂O₆
Molecular Mass	336.1321
SMILES	CC(=O)NC(CC(=O)O)CC(=O)NC(Cc1ccccc1)C(=O)O
InChI Key	CIRFQJXENXATIW-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	acetamides alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group n-acyl-amine beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hybrid peptide hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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