DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:45:10 UTC
Update Date	2025-03-21 18:00:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00027043
Frequency	150.6
Structure
Chemical Formula	C₁₂H₂₄N₂O₃
Molecular Mass	244.1787
SMILES	CC(C)CC(NC(=O)CC(N)C(C)C)C(=O)O
InChI Key	BJVGWDXIQSEVRC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids beta amino acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids 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 carboxylic acid fatty amide fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives methyl-branched fatty acid n-acyl-alpha-amino acid carboxamide group branched fatty acid n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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