DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:18 UTC
Update Date	2025-03-21 18:38:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00123059
Frequency	21.0
Structure
Chemical Formula	C₁₀H₂₂N₃O₃+
Molecular Mass	232.1656
SMILES	C[N+](C)(C)CCNC(=O)CCC(N)C(=O)O
InChI Key	UJGIVCSPTLIWPQ-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	glutamine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids amines carbonyl compounds carboxylic acids fatty acids and conjugates hydrocarbon derivatives monoalkylamines monocarboxylic acids and 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 organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acyl-amine 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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