DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:55 UTC
Update Date	2025-03-25 00:48:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02169091
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₁N₃O₃
Molecular Mass	279.1583
SMILES	CC(C)CC(N)C(=O)NCC(=O)Nc1ccc(O)cc1
InChI Key	YQJZHDLFOPQKSR-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	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids anilides carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives leucine and derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide 1-hydroxy-2-unsubstituted benzenoid n-arylamide alpha-amino acid or derivatives organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine n-substituted-alpha-amino acid aromatic homomonocyclic compound alpha-dipeptide anilide secondary carboxylic acid amide organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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