DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:57 UTC
Update Date	2025-03-25 00:59:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237729
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈Cl₂N₅O₁₂P₃
Molecular Mass	586.9542
SMILES	Nc1ncnc2c1ncn2C1C(O)C(O)C(COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C1O
InChI Key	SZUZRBXSWVRNLW-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	1,3-substituted cyclopentyl purine nucleosides alkyl chlorides azacyclic compounds bisphosphonates cyclitols and derivatives cyclopentanols cyclopentyl nucleosides heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates n-substituted imidazoles organic oxides organochlorides organophosphorus compounds organopnictogen compounds primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives
Substituents	alkyl chloride organochloride imidazopyrimidine organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound alkyl halide imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole cyclopentyl nucleoside alcohol bisphosphonate azacycle purine nucleoside heteroaromatic compound cyclitol or derivatives cyclic alcohol cyclopentanol 1,3-substituted cyclopentyl purine nucleoside organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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