DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:47 UTC
Update Date	2025-03-21 18:05:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054524
Frequency	59.0
Structure
Chemical Formula	C₁₃H₁₆N₆O₇
Molecular Mass	368.108
SMILES	NC(C(=O)O)C(=O)Nc1ncnc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	AUSCURTXHNBBEI-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	1,3-dicarbonyl compounds alpha amino acid amides alpha amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkylamines monocarboxylic acids and derivatives monosaccharides n-arylamides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary carboxylic acid amides tetrahydrofurans
Substituents	carbonyl group carboxylic acid monosaccharide n-arylamide alpha-amino acid or derivatives imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound alpha-amino acid organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol alpha-amino acid amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound carboxamide group oxacycle secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary aliphatic amine purine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound

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