DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:03 UTC
Update Date	2025-03-25 00:46:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02155923
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₄N₃O₆+
Molecular Mass	318.166
SMILES	C[N+](C)(C)C(CCC(=O)C(=O)O)NC(=O)CCC(N)C(=O)O
InChI Key	URPUYOOKSUXZNY-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 alpha-hydroxy ketones alpha-keto acids and derivatives carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic cations organic oxides organic salts organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides short-chain keto acids and derivatives tetraalkylammonium salts
Substituents	fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid glutamine or derivatives fatty amide short-chain keto acid alpha-hydroxy ketone ketone organic oxide organonitrogen compound alpha-keto acid alpha-amino acid organopnictogen compound organic cation organic salt tetraalkylammonium salt carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound keto acid dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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