DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:59:36 UTC
Update Date	2025-03-25 01:15:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02338426
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₉N₁₀O₂₄P₅
Molecular Mass	948.0044
SMILES	Nc1nc(=O)c2c([nH]1)[nH]c(=O)n2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	SGMIXIVNFDTSPZ-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 hypoxanthines imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles nucleoside and nucleotide analogues organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine 2',3'-dideoxyribonucleoside polyphosphates purine 2'-deoxyribonucleoside polyphosphates purine 3'-deoxyribonucleoside polyphosphates purine ribonucleoside monophosphates purine ribonucleoside polyphosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	purine 2',3'-dideoxyribonucleoside polyphosphate pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine purine 2'-deoxyribonucleoside polyphosphate purinone pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran purine nucleoside heteroaromatic compound purine 3'-deoxyribonucleoside polyphosphate purine ribonucleoside polyphosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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