DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:52:38 UTC
Update Date	2025-03-25 00:29:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02044588
Frequency	0.6
Structure
Chemical Formula	C₂₁H₃₁N₉O₂₁P₄
Molecular Mass	869.0585
SMILES	Nc1ncnc2c1C(O)C(O)N2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)OC1CO
InChI Key	WLPMDVFAYJZEAB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside monophosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,3-dioxolanes acetals alkanolamines azacyclic compounds dialkylarylamines heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purines and purine derivatives pyrimidines and pyrimidine derivatives pyrroles pyrrolopyrimidines secondary alcohols tetrahydrofurans
Substituents	meta-dioxolane pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine pyrrolopyrimidine saccharide organic oxide acetal aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dialkylarylamine primary alcohol imidolactam organoheterocyclic compound alkanolamine azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 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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