DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:10:20 UTC
Update Date	2025-03-25 00:57:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02225155
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₁N₇O₇
Molecular Mass	459.1502
SMILES	Nc1nc(Nc2ccc(C(=O)NCC(=O)O)cc2)c2ncn(C3OC(CO)C(O)C3O)c2n1
InChI Key	TXZHEDFUCHPQLG-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	acyl glycines
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines purine nucleosides purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary amines secondary carboxylic acid amides tetrahydrofurans
Substituents	monocyclic benzene moiety carboxylic acid benzoyl monosaccharide imidazopyrimidine saccharide organonitrogen compound alpha-amino acid organoheterocyclic compound alcohol azacycle purine nucleoside heteroaromatic compound n-acylglycine secondary carboxylic acid amide hydrocarbon derivative primary amine amine carbonyl group amino acid benzamide pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound primary alcohol imidolactam azole n-substituted imidazole tetrahydrofuran hippuric acid or derivatives benzoic acid or derivatives secondary amine carboxamide group oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol benzenoid purine organic nitrogen compound organooxygen compound

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