DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:36:01 UTC
Update Date	2025-03-21 17:57:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00006180
Frequency	862.6
Structure
Chemical Formula	C₁₉H₂₂N₈O₅
Molecular Mass	442.1713
SMILES	NC(=O)CCC(NC(=O)c1ccc(NCC2=Nc3c([nH]c(N)nc3=O)NC2)cc1)C(=O)O
InChI Key	NETATXYXEWOGNG-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 benzoyl derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives ketimines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines primary amines primary carboxylic acid amides propargyl-type 1,3-dipolar organic compounds pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl ketimine monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives amino acid imine fatty amide benzoyl pyrimidone pteridine benzamide pyrimidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide pterin azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives organic 1,3-dipolar compound secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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