DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:09 UTC
Update Date	2025-03-25 00:47:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160530
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₅N₅O₆S
Molecular Mass	345.0743
SMILES	Nc1ncnc2c1ncn2C1OC(CO)C(CS(=O)(=O)O)C1O
InChI Key	OOIFEQKDDKQWHY-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	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams n-substituted imidazoles organic oxides organopnictogen compounds organosulfonic acids oxacyclic compounds primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols sulfonyls tetrahydrofurans
Substituents	organosulfonic acid or derivatives organosulfonic acid imidazopyrimidine organosulfur compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle purine 3'-deoxyribonucleoside sulfonyl organic oxygen compound organic sulfonic acid or derivatives secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound amine organooxygen compound

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