DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:44 UTC
Update Date	2025-03-25 00:57:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223864
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₆N₁₀O₃
Molecular Mass	442.2189
SMILES	NC(=O)CCC(NC(=O)c1ccc(NCC2CNc3nc(N)nc(N)c3N2)cc1)C(N)=O
InChI Key	WTOJVPVQCUZOSU-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 azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids and derivatives fatty amides heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidolactams n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalkylamines primary amines primary carboxylic acid amides pyrimidines and pyrimidine derivatives secondary alkylarylamines secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group glutamine or derivatives fatty amide benzoyl benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound imidolactam organoheterocyclic compound n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives secondary amine carboxamide group secondary aliphatic/aromatic amine secondary carboxylic acid amide organic oxygen compound phenylalkylamine hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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