DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:17 UTC
Update Date	2025-03-25 01:01:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02250051
Frequency	0.5
Structure
Chemical Formula	C₁₆H₃₂N₆O₁₂P₃+
Molecular Mass	593.1286
SMILES	C[N+](C)(C)CCOP(=O)(O)O[PH](O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1CP(=O)(O)O
InChI Key	DCRZQBJJJDODAS-UHFFFAOYSA-O
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 n-substituted imidazoles organic cations organic oxides organic phosphonic acids and derivatives organic salts organophosphorus compounds organopnictogen compounds oxacyclic compounds phosphocholines primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetraalkylammonium salts tetrahydrofurans
Substituents	imidazopyrimidine pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organophosphorus compound organic cation organic salt imidolactam organophosphonic acid derivative organoheterocyclic compound azole n-substituted imidazole alcohol tetraalkylammonium salt azacycle tetrahydrofuran quaternary ammonium salt heteroaromatic compound phosphocholine oxacycle purine 3'-deoxyribonucleoside 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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