DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:48:27 UTC
Update Date	2025-03-21 18:01:47 UTC
HMDB ID	HMDB0248073
Metabolite Identification
DeepMet ID	DMID00034808
Name	Leucylleucine methyl ester
Frequency	132.0
Structure
Chemical Formula	C₁₃H₂₆N₂O₃
Molecular Mass	258.1943
SMILES	COC(=O)C(CC(C)C)NC(=O)C(N)CC(C)C
InChI Key	AJMOLNFDYWTVQW-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	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acid esters alpha amino acids carbonyl compounds fatty acid esters hydrocarbon derivatives leucine and derivatives methyl esters monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl aliphatic acyclic compound carbonyl group fatty amide alpha-amino acid or derivatives alpha peptide organic oxide methyl ester leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group n-acyl-amine secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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