DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:54 UTC
Update Date	2025-03-25 00:50:23 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02180587
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₆N₃O₆+
Molecular Mass	320.1816
SMILES	C[N+](C)(C)CC(O)C(CC(=O)O)NC(=O)CCC(N)C(=O)O
InChI Key	YJPXFQULOBVXKQ-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	1,2-aminoalcohols alpha amino acids amines beta amino acids and derivatives carbonyl compounds carboxylic acids cholines dicarboxylic acids and derivatives hydrocarbon derivatives hydroxy fatty acids monoalkylamines n-acyl amines 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 glutamine or derivatives fatty amide fatty acid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hydroxy fatty acid organic cation organic salt alcohol tetraalkylammonium salt 1,2-aminoalcohol quaternary ammonium salt carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide organic oxygen compound choline secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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