DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:29:38 UTC
Update Date	2025-03-21 18:41:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00133280
Frequency	18.9
Structure
Chemical Formula	C₁₂H₂₄N₃O₅+
Molecular Mass	290.171
SMILES	C[N+](C)(C)C(CCC(=O)O)NC(=O)CCC(N)C(=O)O
InChI Key	BQCZASRUWBZXKV-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 carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acids and conjugates hydrocarbon derivatives monoalkylamines n-acyl amines organic cations organic oxides organic salts organonitrogen compounds 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 carboxamide group n-acyl-amine secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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