DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:10 UTC
Update Date	2025-03-25 00:47:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160544
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₉Cl₂N₅O₁₁P₂
Molecular Mass	552.9933
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OCC(O)C(Cl)(Cl)P(=O)(O)O)C(O)C1O
InChI Key	SWPZLGMVCFMDBK-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 chlorohydrins dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monosaccharides n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organochlorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	chlorohydrin pentose phosphate purine ribonucleoside monophosphate alkyl chloride organochloride monosaccharide pentose-5-phosphate 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 azacycle tetrahydrofuran halohydrin heteroaromatic compound oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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