DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:40 UTC
Update Date	2025-03-25 00:59:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239324
Frequency	0.5
Structure
Chemical Formula	C₂₀H₃₀N₈O₂₀P₄
Molecular Mass	826.0527
SMILES	Cn1c(=N)ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(OP(=O)(O)O)C3O)C(O)C2O)c1=O
InChI Key	OOVQGGPEXBPJJO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
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 2',5'-bisphosphates purines and purine derivatives pyrimidine ribonucleoside triphosphates pyrimidones secondary alcohols tetrahydrofurans ureas
Substituents	pyrimidine ribonucleoside triphosphate pentose phosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine urea saccharide organic oxide aromatic heteropolycyclic compound imidazole purine ribonucleoside 2',5'-bisphosphate organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol carbonic acid derivative azacycle tetrahydrofuran 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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