DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:20:55 UTC
Update Date	2025-03-21 18:36:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00112546
Frequency	36.2
Structure
Chemical Formula	C₁₆H₂₄N₂O₃
Molecular Mass	292.1787
SMILES	CC(C)CC(NC(=O)C(C)(N)Cc1ccccc1)C(=O)O
InChI Key	AXSQEKOSBIXAMP-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 amphetamines and derivatives carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylpropanes secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives phenylpropane organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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