DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:58:21 UTC
Update Date	2025-03-21 18:05:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00058248
Frequency	54.3
Structure
Chemical Formula	C₁₁H₁₃N₅O₆
Molecular Mass	311.0866
SMILES	Nc1nc(C(=O)O)nc2c1ncn2C1OC(CO)C(O)C1O
InChI Key	WGIGLPJSPCWMGT-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	amino acids azacyclic compounds carboxylic acids heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monocarboxylic acids and derivatives monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidinecarboxylic acids secondary alcohols tetrahydrofurans
Substituents	carboxylic acid amino acid or derivatives amino acid monosaccharide imidazopyrimidine carboxylic acid derivative pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol pyrimidine-2-carboxylic acid azacycle tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle monocarboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound pyrimidine-2-carboxylic acid or derivatives amine organooxygen compound

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