DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:18 UTC
Update Date	2025-03-25 00:50:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179189
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₈N₃O₈+
Molecular Mass	438.1871
SMILES	C[N+](C)(C)C(CCC(=O)O)C(=O)Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	PZBRAKZXWHFRKS-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 acid amides alpha amino acids amines anilides benzoyl derivatives carbonyl compounds carboxylic acids fatty amides 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 tricarboxylic acids and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide benzoyl n-arylamide tricarboxylic acid or derivatives 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 alpha-amino acid amide 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 hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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