DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:15 UTC
Update Date	2025-03-25 00:47:17 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160744
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₅N₇O₁₆P₂
Molecular Mass	669.0833
SMILES	Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(OP(=O)(O)OCC3OC(n4ccc(=O)[nH]c4=O)C(O)C3O)C2O)c(=O)[nH]1
InChI Key	XXMBTOFPUNNKKX-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	azacyclic compounds dialkyl phosphates heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles lactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside 3',5'-bisphosphates purine ribonucleoside monophosphates purines and purine derivatives pyrimidine ribonucleoside monophosphates pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound organoheterocyclic compound azole n-substituted imidazole purine ribonucleoside 3',5'-bisphosphate ribonucleoside 3'-phosphate alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound oxacycle dialkyl phosphate pyrimidine ribonucleoside monophosphate 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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