DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:50 UTC
Update Date	2025-03-25 00:59:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02237473
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₄N₈O₁₃P₂
Molecular Mass	634.0938
SMILES	Nc1ccn(C2OC(COP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C3OP(=O)(O)OC32)c(=O)n1
InChI Key	LJHHUKZVVBGPEZ-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 dialkyl phosphates dioxaphospholanes heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams 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 dialkyl phosphate organic oxygen compound phosphoric acid ester secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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