DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:22 UTC
Update Date	2025-03-21 18:28:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00072600
Frequency	41.2
Structure
Chemical Formula	C₁₉H₂₁N₇O₆
Molecular Mass	443.1553
SMILES	Nc1nc2c([nH]1)N1CN(c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)CC1NC2=O
InChI Key	WTKJAPWZCGKCGH-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	2-heteroaryl carboxamides 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 imidazoles lactams n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylimidazolidines primary amines purines and purine derivatives secondary carboxylic acid amides vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety carbonyl group lactam carboxylic acid phenylimidazolidine amino acid benzoyl imidazopyrimidine 2-heteroaryl carboxamide benzamide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine organoheterocyclic compound azole 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 carboxamide group secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine purine organic nitrogen compound amine organooxygen compound

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