DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:57:47 UTC
Update Date	2025-03-21 18:05:26 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00056911
Frequency	61.8
Structure
Chemical Formula	C₂₀H₂₄N₈O₅
Molecular Mass	456.187
SMILES	Nc1nc(N)c2c(n1)NCC1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CN21
InChI Key	TWJHHKBLARIYLP-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 imidazopyrazines imidolactams n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylimidazolidines primary amines pyrimidines and pyrimidine derivatives secondary alkylarylamines secondary carboxylic acid amides
Substituents	imidazolidine monocyclic benzene moiety carbonyl group carboxylic acid phenylimidazolidine imidazopyrazine amino acid benzoyl benzamide pyrimidine organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine imidolactam organoheterocyclic compound n-acyl-alpha amino acid or derivatives 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 dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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