DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:10 UTC
Update Date	2025-03-21 18:04:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00053149
Frequency	61.0
Structure
Chemical Formula	C₂₁H₂₇N₉O₁₃P₂
Molecular Mass	675.1204
SMILES	Nc1ncnc2c1ccn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O
InChI Key	KYHXGNKQYQCOSV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside diphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives pyrrolo[2,3-d]pyrimidines pyrrolopyrimidine nucleosides and nucleotides secondary alcohols substituted pyrroles tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate substituted pyrrole imidazopyrimidine pyrimidine pyrrolopyrimidine saccharide organic oxide pyrrolo[2,3-d]pyrimidine purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound pyrrolopyrimidine ribonucleoside organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate pyrrole secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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