DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:53 UTC
Update Date	2025-03-25 00:54:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207857
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₈N₇O₁₈P₃
Molecular Mass	771.0704
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4cc(O)c(O)cc43)C(O)C2O)C(O)C1O
InChI Key	XFVOSCYZRWBXJI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	benzimidazole ribonucleosides and ribonucleotides
Subclass	benzimidazole ribonucleosides and ribonucleotides
Direct Parent	benzimidazole ribonucleosides and ribonucleotides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids azacyclic compounds benzenoids benzimidazoles heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purine ribonucleoside triphosphates purines and purine derivatives pyrimidines and pyrimidine derivatives secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate 1-hydroxy-2-unsubstituted benzenoid monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound benzimidazole imidazole organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol azacycle 1-ribofuranosylbenzimidazole tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative benzenoid purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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