DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:45:48 UTC
Update Date	2025-03-25 00:48:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02168849
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₅N₂O₄+
Molecular Mass	261.1809
SMILES	CC(C)CC(NC(=O)C(O)C[N+](C)(C)C)C(=O)O
InChI Key	DFYODIRNAQYYBY-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 cholines hydrocarbon derivatives hydroxy fatty acids leucine and derivatives methyl-branched fatty acids monocarboxylic acids and derivatives n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds secondary alcohols secondary carboxylic acid amides short-chain hydroxy acids and derivatives tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid short-chain hydroxy acid fatty acid alpha-amino acid or derivatives carboxylic acid derivative organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid organic cation organic salt n-acyl-alpha amino acid or derivatives alcohol methyl-branched fatty acid tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group branched fatty acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound choline secondary alcohol hybrid peptide hydrocarbon derivative organic nitrogen compound amine organooxygen compound

Showing information for DMID02168849