DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:20 UTC
Update Date	2025-03-25 00:51:18 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186098
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃N₅O₇S
Molecular Mass	347.0536
SMILES	Nc1ncnc2ncn(C3OC(CO)C(O)C3OS(=O)(=O)O)c12
InChI Key	BTLHOUZCKHQWDD-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	alkyl sulfates azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles nucleoside and nucleotide analogues organic oxides organopnictogen compounds oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfuric acid monoesters tetrahydrofurans
Substituents	sulfuric acid monoester monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole alkyl sulfate organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle organic oxygen compound secondary alcohol sulfate-ester hydrocarbon derivative primary amine purine organic nitrogen compound sulfuric acid ester amine organooxygen compound

Showing information for DMID02186098