DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:09:33 UTC
Update Date	2025-03-21 18:31:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00085054
Frequency	33.6
Structure
Chemical Formula	C₁₀H₁₉N₂O₅+
Molecular Mass	247.1288
SMILES	C[N+](C)(C)C(CCC(=O)NCC(=O)O)C(=O)O
InChI Key	XEPUVMWDDSPQCN-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	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amines carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides fatty acids and conjugates glutamine and derivatives hydrocarbon derivatives n-acyl amines organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide fatty acid organic oxide alpha-amino acid organonitrogen compound organopnictogen compound organic cation organic salt tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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