DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 09:48:05 UTC
Update Date	2025-03-24 20:28:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01460895
Frequency	0.9
Structure
Chemical Formula	C₂₀H₂₈N₁₀O₁₉P₄S
Molecular Mass	868.0203
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(O)(=S)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C(O)C2O)c(=O)[nH]1
InChI Key	DPDZMRPGJBBIES-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 lactams 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 pyrimidones secondary alcohols tetrahydrofurans thiophosphoric acid esters vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate thiophosphoric acid ester monosaccharide pentose-5-phosphate pyrimidone 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 vinylogous amide azacycle tetrahydrofuran purine nucleoside heteroaromatic compound 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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