DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:32:12 UTC
Update Date	2025-03-24 22:06:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01995745
Frequency	0.6
Structure
Chemical Formula	C₂₃H₃₅Cl₃N₅O₁₉P₃
Molecular Mass	883.0205
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(OC3(CCl)OC(CCl)C(O)C3O)C(O)C(O)C2Cl)C(CP(=O)(O)O)C1O
InChI Key	PSQDNKDYQDSZGE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine deoxyribonucleotides
Direct Parent	purine 3'-deoxyribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl chlorides azacyclic compounds chlorohydrins heteroaromatic compounds hexose phosphates hydrocarbon derivatives imidazoles imidolactams ketals monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organic pyrophosphates organochlorides organophosphorus compounds organopnictogen compounds oxacyclic compounds oxanes pentose phosphates primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	chlorohydrin pentose phosphate alkyl chloride organochloride monosaccharide pentose-5-phosphate imidazopyrimidine organohalogen compound pyrimidine saccharide organic oxide acetal aromatic heteropolycyclic compound imidazole ketal organonitrogen compound organopnictogen compound organophosphorus compound alkyl halide oxane imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran halohydrin heteroaromatic compound purine 3'-deoxyribonucleoside diphosphate organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hexose phosphate hydrocarbon derivative primary amine purine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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