DeepMet

Record Information
HMDB Status	detected
Creation Date	2024-02-20 23:40:41 UTC
Update Date	2025-03-21 17:58:48 UTC
HMDB ID	HMDB0094648
Metabolite Identification
DeepMet ID	DMID00016851
Name	Leu-Leu-Leu
Frequency	519.5
Structure
Chemical Formula	C₁₈H₃₅N₃O₄
Molecular Mass	357.2628
SMILES	CC(C)CC(N)C(O)=NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O
InChI Key	DNDWZFHLZVYOGF-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	leucine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives methyl-branched fatty acids monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid fatty amide fatty acid propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives methyl-branched fatty acid alpha-amino acid amide n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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