DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:19:35 UTC
Update Date	2025-03-21 18:36:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00109361
Frequency	24.5
Structure
Chemical Formula	C₂₀H₂₄N₈O₆
Molecular Mass	472.1819
SMILES	Nc1nc(=O)c2c([nH]1)NCC(CNc1ccc(C(=O)NC(=O)CCC(N)C(=O)O)cc1)N2C=O
InChI Key	KLEGLSXLNMQKED-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	glutamine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoic acids and derivatives benzoyl derivatives carbonyl compounds carboxylic acids dicarboximides heteroaromatic compounds hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-unsubstituted carboxylic acid imides organic oxides organopnictogen compounds phenylalkylamines pterins and derivatives pyrimidones secondary alkylarylamines tertiary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives amino acid benzoyl pyrimidone pyrimidine carboxylic acid imide, n-unsubstituted organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound dicarboximide organoheterocyclic compound vinylogous amide pterin azacycle heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group n-acyl-amine secondary aliphatic/aromatic amine carboxylic acid imide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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