DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 11:51:59 UTC
Update Date	2025-03-24 21:22:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01758810
Frequency	0.7
Structure
Chemical Formula	C₂₀H₂₈Cl₂N₈O₁₉P₄
Molecular Mass	877.9798
SMILES	Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c(=O)n1
InChI Key	PIXDJAYUOGVLAK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl chlorides azacyclic compounds bisphosphonates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organochlorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate alkyl chloride organochloride monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine organohalogen compound pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound alkyl halide imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol bisphosphonate carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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