DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:20 UTC
Update Date	2025-03-21 18:28:58 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00074944
Frequency	39.5
Structure
Chemical Formula	C₁₁H₂₂N₃O₄+
Molecular Mass	260.1605
SMILES	CC(C(=O)NC(CCC(N)=O)C(=O)O)[N+](C)(C)C
InChI Key	ODCJLNCSNAYJDN-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	alanine and derivatives alpha amino acid amides alpha amino acids amines carbonyl compounds carboxylic acids fatty acids and conjugates fatty amides glutamine and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives 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 glutamine or derivatives fatty amide fatty acid alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt n-acyl-alpha amino acid or derivatives alpha-amino acid amide tetraalkylammonium salt n-acyl-alpha-amino acid quaternary ammonium salt carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound alanine or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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