DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:13:15 UTC
Update Date	2025-03-25 01:45:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02509943
Frequency	0.5
Structure
Chemical Formula	C₂₁H₃₄N₁₀O₂₄P₆
Molecular Mass	996.0173
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O[PH](=O)(=O)O[PH](O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2CP(=O)(O)O)C(O)C1O
InChI Key	XUNJLGRCPIIWMP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine 3'-deoxyribonucleosides
Direct Parent	purine 3'-deoxyribonucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic phosphonic acids and derivatives organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound imidolactam organophosphonic acid derivative organoheterocyclic compound purine ribonucleoside triphosphate azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound oxacycle purine 3'-deoxyribonucleoside 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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