DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 04:45:37 UTC
Update Date	2025-03-24 14:02:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00736095
Frequency	2.1
Structure
Chemical Formula	C₂₈H₄₀F₃N₇O₁₄P₂S₂
Molecular Mass	881.1502
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2C(O)C(O)C(N3C=CCC(C(N)=O)=C3)C2O)C(O)C1O
InChI Key	JBIDNWZIQFWJAH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-aminoalcohols alkyl fluorides alkylarylthioethers amino acids and derivatives aminocyclitols and derivatives azacyclic compounds carbonyl compounds carboxylic acids and derivatives cyclopentanols dialkylthioethers dihydropyridines enamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles n-substituted nicotinamides organic oxides organic pyrophosphates organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates primary carboxylic acid amides purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alkylarylamines sulfenyl compounds tetrahydrofurans trialkylamines vinylogous amides
Substituents	amino acid or derivatives purine ribonucleoside monophosphate nicotinamide monosaccharide pentose-5-phosphate imidazopyrimidine aryl thioether saccharide purine ribonucleoside diphosphate organonitrogen compound dihydropyridine organoheterocyclic compound alcohol vinylogous amide sulfenyl compound azacycle 1,2-aminoalcohol alkyl fluoride dialkylthioether heteroaromatic compound tertiary aliphatic amine cyclitol or derivatives organic pyrophosphate secondary aliphatic/aromatic amine thioether monoalkyl phosphate hydrocarbon derivative amine enamine primary carboxylic acid amide carbonyl group pentose phosphate alkylarylthioether organosulfur compound carboxylic acid derivative organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam tertiary amine azole n-substituted imidazole aminocyclitol or derivatives tetrahydrofuran organofluoride cyclic alcohol secondary amine carboxamide group cyclopentanol n-substituted nicotinamide oxacycle organic oxygen compound phosphoric acid ester secondary alcohol purine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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