DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:11:06 UTC
Update Date	2025-03-25 00:57:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02226832
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₆N₂O₇
Molecular Mass	394.174
SMILES	CC(C)CC(NC(=O)CC(O)C(=O)NC(Cc1ccccc1)C(=O)O)C(=O)O
InChI Key	LXWFEYHDMKYXGW-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives leucine and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanoic acids secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid fatty amide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol n-acyl-alpha-amino acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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