DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:50 UTC
Update Date	2025-03-25 00:54:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207716
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₆Cl₂N₅O₁₁P₃
Molecular Mass	556.9436
SMILES	Nc1ncnc2c1ncn2C1CC(O)C(OP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C1O
InChI Key	MDQBWXOFQWPYJZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	nucleoside and nucleotide analogues
Subclass	cyclopentyl nucleosides
Direct Parent	cyclopentyl nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,3-substituted cyclopentyl purine nucleosides alkyl chlorides azacyclic compounds bisphosphonates cyclitols and derivatives cyclopentanols 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 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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