DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:22:18 UTC
Update Date	2025-03-21 18:37:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00115906
Frequency	35.9
Structure
Chemical Formula	C₂₀H₂₈N₁₀O₁₈P₄S
Molecular Mass	852.0254
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(O)(=S)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	WTOARIOCGGGSFK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleosides
Subclass	purine nucleosides
Direct Parent	purine nucleosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds 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 thiophosphoric acid esters
Substituents	pentose phosphate purine ribonucleoside monophosphate thiophosphoric acid ester monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine organic thiophosphoric acid or derivatives saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound purine ribonucleoside triphosphate azole n-substituted imidazole alcohol azacycle tetrahydrofuran purine nucleoside heteroaromatic compound oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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