DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:23:10 UTC
Update Date	2025-03-25 01:02:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02254282
Frequency	0.5
Structure
Chemical Formula	C₂₆H₄₂N₂O₅
Molecular Mass	462.3094
SMILES	CC(C)C(=O)OCC(C)(C)C(OC(=O)C(NC(=O)C(N)Cc1ccccc1)C(C)C)C(C)C
InChI Key	AMFJTWGYWZQBNS-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	peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acid esters alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acid esters dicarboxylic acids and derivatives fatty acid esters fatty amides hydrocarbon derivatives monoalkylamines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides valine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide alpha-amino acid or derivatives alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid valine or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide fatty acid ester phenylalanine or derivatives organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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