DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 08:15:34 UTC
Update Date	2025-03-24 22:46:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01241407
Frequency	1.1
Structure
Chemical Formula	C₁₉H₂₈N₇O₂₄P₅
Molecular Mass	892.9874
SMILES	Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(CO)C(n3ccc(=O)[nH]c3=O)O2)C(O)C1O
InChI Key	XIMWNTLBWLTWAW-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 azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams lactams monoalkyl phosphates monosaccharides n-substituted imidazoles nucleoside and nucleotide analogues organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary alcohols primary amines purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	meta-dioxolane lactam pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine saccharide organic oxide acetal aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound primary alcohol imidolactam organoheterocyclic compound azole n-substituted imidazole alcohol vinylogous amide carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound oxacycle 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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