DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:47 UTC
Update Date	2025-03-25 00:48:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168797
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₆N₃O₃+
Molecular Mass	260.1969
SMILES	CC(C)CC(NC(=O)C(CN)[N+](C)(C)C)C(=O)O
InChI Key	XKIUXNWUUHZYQS-UHFFFAOYSA-O
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 amines 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-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 acid alpha-amino acid or derivatives 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 alpha-amino acid amide tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group branched fatty acid beta amino acid or derivatives alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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