DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:59 UTC
Update Date	2025-03-25 00:56:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219822
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₆N₃O₆+
Molecular Mass	380.1816
SMILES	C[N+](C)(C)CCC(=O)Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	UYGOHPWSUAYYFR-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	glutamic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	acylaminobenzoic acid and derivatives alpha amino acids amines anilides benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-arylamides organic cations organic oxides organic salts organopnictogen compounds secondary carboxylic acid amides tetraalkylammonium salts
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid benzoyl n-arylamide benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt n-acyl-alpha amino acid or derivatives acylaminobenzoic acid or derivatives tetraalkylammonium salt n-acyl-alpha-amino acid hippuric acid or derivatives quaternary ammonium salt benzoic acid or derivatives glutamic acid or derivatives carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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