DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:16 UTC
Update Date	2025-03-25 00:46:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156412
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₆N₃O₅+
Molecular Mass	304.1867
SMILES	C[N+](C)(C)CCOC(=O)CCNC(=O)CCC(N)C(=O)O
InChI Key	ORHXSQYIIGRTKP-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	acyl cholines alpha amino acids amines beta amino acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives monoalkylamines n-acyl amines organic cations organic oxides organic salts organopnictogen compounds 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 organic cation organic salt tetraalkylammonium salt quaternary ammonium salt carboxamide group n-acyl-amine beta amino acid or derivatives secondary carboxylic acid amide organic oxygen compound carboxylic acid ester acyl choline dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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