DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:46:56 UTC
Update Date	2025-03-21 18:01:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00031166
Frequency	118.5
Structure
Chemical Formula	C₁₂H₂₂N₂O₄
Molecular Mass	258.158
SMILES	CC(=O)NCCCC(=O)NC(CC(C)C)C(=O)O
InChI Key	NBOZEYBWNKOILO-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	acetamides alpha amino acids carbonyl compounds carboxylic acids gamma amino acids and derivatives hydrocarbon derivatives methyl-branched fatty acids 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 carboxylic acid gamma amino acid or derivatives fatty amide fatty acid organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound acetamide n-acyl-alpha amino acid or derivatives methyl-branched fatty acid n-acyl-alpha-amino acid carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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