DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:43 UTC
Update Date	2025-03-25 01:01:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02248724
Frequency	0.5
Structure
Chemical Formula	C₂₄H₂₅N₆O₆+
Molecular Mass	493.183
SMILES	Cc1ncc(C[n+]2cccc(C(=O)Nc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c2)c(N)n1
InChI Key	RDWMPZVGJQQUDH-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	alpha amino acids amino acids aromatic anilides azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives hydroxypyridines imidolactams methylpyridines n-acyl-alpha amino acids nicotinamides organic cations organic oxides organopnictogen compounds primary amines pyridinecarboxylic acids and derivatives pyrimidines and pyrimidine derivatives secondary carboxylic acid amides vinylogous amides
Substituents	pyridine carboxylic acid or derivatives monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid nicotinamide benzoyl benzamide pyrimidine aromatic anilide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation imidolactam organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound hydroxypyridine benzoic acid or derivatives methylpyridine glutamic acid or derivatives carboxamide group secondary carboxylic acid amide pyridine organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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