DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:33:28 UTC
Update Date	2025-03-21 17:56:06 UTC
HMDB ID	HMDB0028938
Metabolite Identification
DeepMet ID	DMID00000193
Name	Leucyl-Serine
Frequency	18403.1
Structure
Chemical Formula	C₉H₁₈N₂O₄
Molecular Mass	218.1267
SMILES	CC(C)CC(N)C(=O)NC(CO)C(=O)O
InChI Key	XGDCYUQSFDQISZ-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	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids beta hydroxy acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds primary alcohols secondary carboxylic acid amides serine and derivatives
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha-amino acid or derivatives beta-hydroxy acid organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol n-acyl-alpha amino acid or derivatives alcohol alpha-amino acid amide n-acyl-alpha-amino acid hydroxy acid carboxamide group n-acyl-amine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound

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