DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 06:02:04 UTC
Update Date	2025-03-24 16:37:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00919279
Frequency	1.6
Structure
Chemical Formula	C₁₉H₂₇N₈O₂₂P₅
Molecular Mass	873.9928
SMILES	Nc1ccn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C3OP(=O)(O)OC32)c(=O)n1
InChI Key	STIBBRLIXITSRU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols 2',3'-cyclic pyrimidine nucleotides azacyclic compounds dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole ribonucleoside 3'-phosphate alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound 1,3_dioxaphospholane 2',3'-cyclic pyrimidine ribonucleotide 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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