DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:48 UTC
Update Date	2025-03-25 00:58:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230539
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₅Cl₂N₆O₁₂P₃
Molecular Mass	656.012
SMILES	CN1CCN(c2ncnc3c2ncn3C2OC(COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C2O)CC1
InChI Key	DJIIDKFNIQWONF-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	1,2-diols alkyl chlorides aminopyrimidines and derivatives azacyclic compounds bisphosphonates dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-arylpiperazines n-methylpiperazines n-substituted imidazoles organic oxides organochlorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives secondary alcohols tetrahydrofurans trialkylamines
Substituents	purine ribonucleoside monophosphate alkyl chloride organochloride monosaccharide pentose-5-phosphate imidazopyrimidine saccharide organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound 1,2-diol alcohol azacycle n-alkylpiperazine heteroaromatic compound tertiary aliphatic amine aminopyrimidine monoalkyl phosphate hydrocarbon derivative amine pentose phosphate organohalogen compound pyrimidine organic oxide piperazine aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide dialkylarylamine imidolactam tertiary amine azole n-substituted imidazole bisphosphonate tetrahydrofuran n-methylpiperazine oxacycle organic oxygen compound phosphoric acid ester 1,4-diazinane secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative n-arylpiperazine alkyl phosphate organooxygen compound

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