DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:46 UTC
Update Date	2025-03-25 01:02:02 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02253391
Frequency	0.5
Structure
Chemical Formula	C₁₉H₁₉N₇O₇
Molecular Mass	457.1346
SMILES	Nc1nc2c(c(=O)[nH]1)N1CN(c3ccc(C(=O)NC(CC(=O)O)C(=O)O)cc3)C(=O)C1CN2
InChI Key	ZSZHMHCLYOTBGG-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	aspartic acid and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acylaminobenzoic acid and derivatives alpha amino acids amino acids azacyclic compounds benzoyl derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazolidinones imidazopyrazines imidolactams lactams n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylimidazolidines primary amines pterins and derivatives pyrimidones secondary alkylarylamines secondary carboxylic acid amides tertiary carboxylic acid amides vinylogous amides
Substituents	imidazolidine monocyclic benzene moiety lactam carboxylic acid phenylimidazolidine imidazopyrazine benzoyl imidazolidinone organonitrogen compound alpha-amino acid organoheterocyclic compound n-acyl-alpha amino acid or derivatives vinylogous amide acylaminobenzoic acid or derivatives pterin azacycle n-acyl-alpha-amino acid heteroaromatic compound secondary aliphatic/aromatic amine secondary carboxylic acid amide aspartic acid or derivatives dicarboxylic acid or derivatives hydrocarbon derivative primary amine amine carbonyl group amino acid pyrimidone benzamide pyrimidine organic oxide aromatic heteropolycyclic compound tertiary carboxylic acid amide organopnictogen compound dialkylarylamine imidolactam hippuric acid or derivatives benzoic acid or derivatives secondary amine carboxamide group beta amino acid or derivatives organic oxygen compound benzenoid organic nitrogen compound organooxygen compound

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