DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:52 UTC
Update Date	2025-03-25 00:54:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02207825
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₇N₅O₁₅P₂
Molecular Mass	651.0979
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(c3ccc(O)c(O)c3)C(O)C2O)C(O)C1O
InChI Key	APQVEMAPBMOFAW-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids azacyclic compounds benzene and substituted derivatives dialkyl ethers 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 secondary alcohols tetrahydrofurans
Substituents	monocyclic benzene moiety ether pentose phosphate purine ribonucleoside monophosphate 1-hydroxy-2-unsubstituted benzenoid monosaccharide pentose-5-phosphate imidazopyrimidine dialkyl ether pyrimidine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol azacycle tetrahydrofuran heteroaromatic compound 1-hydroxy-4-unsubstituted benzenoid organic pyrophosphate oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol phenol hydrocarbon derivative purine benzenoid primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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