DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:21 UTC
Update Date	2025-03-25 00:45:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149600
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₇N₅O₁₂P₂S
Molecular Mass	505.007
SMILES	Nc1ncnc2c1ncn2C1OC(COS(=O)(=O)OP(=O)(O)O)C(CP(=O)(O)O)C1O
InChI Key	STGMLMGVCSAOQL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine 3'-deoxyribonucleosides
Direct Parent	purine 3'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl sulfates azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organic phosphoric acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole alkyl sulfate organonitrogen compound organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol organic sulfuric acid or derivatives azacycle tetrahydrofuran heteroaromatic compound oxacycle purine 3'-deoxyribonucleoside organic oxygen compound secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine organooxygen compound

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