DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:58:33 UTC
Update Date	2025-03-25 00:53:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02197897
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₆N₃O₇+
Molecular Mass	396.1765
SMILES	C[N+](C)(C)CC(Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)C(=O)O
InChI Key	FCSATYIVQDJWPO-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	alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic cations organic oxides organic salts organopnictogen compounds phenylalkylamines secondary alkylarylamines secondary carboxylic acid amides tetraalkylammonium salts tricarboxylic acids and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl 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 tetraalkylammonium salt n-acyl-alpha-amino acid hippuric acid or derivatives quaternary ammonium salt benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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