DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:51 UTC
Update Date	2025-03-21 18:00:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00026312
Frequency	145.7
Structure
Chemical Formula	C₁₀H₁₄N₆O₆S
Molecular Mass	346.0696
SMILES	Nc1ncnc2c1ncn2C1OC(COS(N)(=O)=O)C(O)C1O
InChI Key	GNZLUJQJDPRUTD-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	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organic sulfuric acids and derivatives organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	monosaccharide imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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