DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 13:54:01 UTC
Update Date	2025-03-25 00:29:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02047851
Frequency	0.6
Structure
Chemical Formula	C₂₆H₃₈N₁₀O₂₃P₄
Molecular Mass	982.1062
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OC2C(O)C(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)C2O)C(O)C1O
InChI Key	QELCBOKXYFNBCG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	purine nucleotides
Subclass	purine ribonucleotides
Direct Parent	purine ribonucleoside triphosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds cyclitols and derivatives cyclopentanols dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidines and pyrimidine derivatives tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam purine ribonucleoside triphosphate organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound cyclitol or derivatives cyclic alcohol cyclopentanol oxacycle dialkyl phosphate organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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