DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 16:10:18 UTC
Update Date	2025-03-25 01:20:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02362748
Frequency	0.5
Structure
Chemical Formula	C₂₂H₃₉F₃N₅O₃₀P₇S₂
Molecular Mass	1190.9237
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OC2C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C2OP(=O)(O)O)C(O)C1O
InChI Key	TXGGMDJHKLEZSK-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-diols alkyl fluorides alkylarylthioethers azacyclic compounds dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams inositol phosphates monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans
Substituents	purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine aryl thioether saccharide purine ribonucleoside diphosphate organonitrogen compound organoheterocyclic compound 1,2-diol alcohol sulfenyl compound azacycle alkyl fluoride dialkylthioether heteroaromatic compound cyclitol or derivatives organic pyrophosphate secondary aliphatic/aromatic amine thioether monoalkyl phosphate hydrocarbon derivative amine pentose phosphate inositol phosphate alkylarylthioether organosulfur compound organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam azole n-substituted imidazole tetrahydrofuran organofluoride secondary amine 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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