DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 17:22:32 UTC
Update Date	2025-03-25 01:49:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02531092
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₇F₃N₁₀O₁₇P₂S
Molecular Mass	936.1486
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(NC5OC(CO)C(O)C5O)nc(SCCC(F)(F)F)nc43)C(O)C2O)C(O)C1O
InChI Key	WTRIJQHUOJOJPG-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	alkyl fluorides alkylarylthioethers azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organofluorides organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols secondary alkylarylamines sulfenyl compounds tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine alkylarylthioether organosulfur compound organohalogen compound aryl thioether pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound alkyl halide primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol sulfenyl compound azacycle tetrahydrofuran alkyl fluoride organofluoride heteroaromatic compound secondary amine organic pyrophosphate secondary aliphatic/aromatic amine oxacycle organic oxygen compound phosphoric acid ester thioether monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

Showing information for DMID02531092