DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:05:14 UTC
Update Date	2025-03-25 00:55:39 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02213505
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₄N₆O₆
Molecular Mass	456.1757
SMILES	CNc1nc(=O)c2c([nH]1)CC1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CN21
InChI Key	ZKBYSESPNZGOIT-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 azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylimidazolidines pyrimidones pyrroles pyrrolopyrimidines secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety carbonyl group carboxylic acid phenylimidazolidine amino acid benzoyl pyrimidone benzamide pyrimidine pyrrolopyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine organoheterocyclic compound 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 secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound pyrrole dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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