DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:14:31 UTC
Update Date	2025-03-25 00:59:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02234469
Frequency	0.5
Structure
Chemical Formula	C₁₂H₂₄N₃O₄+
Molecular Mass	274.1761
SMILES	C[N+](C)(C)CCCCC(=O)NC(CC(N)=O)C(=O)O
InChI Key	HTKFILSNLKGEFE-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	asparagine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amines carbonyl compounds carboxylic acids fatty acids and conjugates hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides tetraalkylammonium salts
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives organic cation organic salt n-acyl-alpha amino acid or derivatives tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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