DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:13 UTC
Update Date	2025-03-21 18:02:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00039062
Frequency	89.3
Structure
Chemical Formula	C₂₂H₂₄N₆O₉
Molecular Mass	516.1605
SMILES	O=C(O)CCC(NC(=O)c1ccc(Nc2ncnc3c2ncn3C2OC(CO)C(O)C2O)cc1)C(=O)O
InChI Key	HMWWWMWQQJEGTP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glutamic acid and derivatives heteroaromatic compounds hippuric acids and derivatives hydrocarbon derivatives imidazoles imidolactams monosaccharides n-acyl-alpha amino acids n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary amines secondary carboxylic acid amides tetrahydrofurans
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid or derivatives amino acid benzoyl monosaccharide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative benzamide pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole n-acyl-alpha amino acid or derivatives alcohol azacycle n-acyl-alpha-amino acid tetrahydrofuran purine nucleoside hippuric acid or derivatives heteroaromatic compound benzoic acid or derivatives glutamic acid or derivatives secondary amine carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid purine organic nitrogen compound organooxygen compound amine

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