DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:00 UTC
Update Date	2025-03-21 18:28:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00074181
Frequency	40.1
Structure
Chemical Formula	C₂₀H₂₂N₆O₆
Molecular Mass	442.1601
SMILES	Nc1nc2c([nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1CC2=O
InChI Key	AAWIQASXXVGCGZ-UHFFFAOYSA-N
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 heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids aniline and substituted anilines aryl alkyl ketones azacyclic compounds benzoyl derivatives carboxylic acids dialkylarylamines dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazoles imidazopiperidines imidazopyridines n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylimidazolidines primary amines secondary carboxylic acid amides vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone phenylimidazolidine amino acid benzoyl imidazopyridine benzamide ketone organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine organoheterocyclic compound azole n-acyl-alpha amino acid or derivatives vinylogous amide azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines heteroaromatic compound benzoic acid or derivatives glutamic acid or derivatives carboxamide group secondary carboxylic acid amide imidazopiperidine organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound aryl ketone

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