DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:38 UTC
Update Date	2025-03-25 00:51:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189071
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₇N₂O₃+
Molecular Mass	259.2016
SMILES	CC(C)CC(NC(=O)CC(C)[N+](C)(C)C)C(=O)O
InChI Key	XKZBQWXJXAETTC-UHFFFAOYSA-O
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 amines carbonyl compounds carboxylic acids hydrocarbon derivatives leucine and derivatives methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
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 organic cation organic salt n-acyl-alpha amino acid or derivatives methyl-branched fatty acid tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group branched fatty acid n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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