DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:28 UTC
Update Date	2025-03-25 00:53:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202305
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₈N₃O₆+
Molecular Mass	406.1973
SMILES	C[N+]1(C)CCCCC1C(=O)Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	DDBADPOGDGOURP-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 heteromonocyclic compounds
Alternative Parents	acylaminobenzoic acid and derivatives alpha amino acid amides alpha amino acids amines anilides azacyclic compounds 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 piperidinecarboxamides piperidines secondary carboxylic acid amides tetraalkylammonium salts
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound benzoyl n-arylamide benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt piperidine organoheterocyclic compound n-acyl-alpha amino acid or derivatives acylaminobenzoic acid or derivatives alpha-amino acid amide tetraalkylammonium salt azacycle n-acyl-alpha-amino acid piperidinecarboxamide hippuric acid or derivatives quaternary ammonium salt benzoic acid or derivatives glutamic acid or derivatives carboxamide group anilide secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine 2-piperidinecarboxamide organooxygen compound

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