DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:52:17 UTC
Update Date	2025-03-21 18:03:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00044029
Frequency	77.0
Structure
Chemical Formula	C₁₇H₂₆Cl₂F₃N₅O₁₅P₄S₂
Molecular Mass	854.9146
SMILES	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)C(O)C1O
InChI Key	ZDMLOKRHKRYOMX-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 alkyl fluorides alkylarylthioethers azacyclic compounds bisphosphonates dialkylthioethers heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organochlorides organofluorides organophosphorus compounds organopnictogen compounds oxacyclic compounds pentose phosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans
Substituents	purine ribonucleoside monophosphate alkyl chloride organochloride monosaccharide pentose-5-phosphate imidazopyrimidine aryl thioether saccharide organonitrogen compound organophosphorus compound organophosphonic acid derivative organoheterocyclic compound 1,2-diol alcohol sulfenyl compound azacycle alkyl fluoride dialkylthioether heteroaromatic compound secondary aliphatic/aromatic amine thioether monoalkyl phosphate hydrocarbon derivative amine pentose phosphate alkylarylthioether organosulfur compound organohalogen compound pyrimidine organic oxide aromatic heteropolycyclic compound imidazole organopnictogen compound alkyl halide imidolactam azole n-substituted imidazole bisphosphonate 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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