DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:57 UTC
Update Date	2025-03-25 00:52:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194231
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₄N₆O₁₁P₂
Molecular Mass	514.0978
SMILES	CN(C)c1nc(=O)c2ncn(C3OC(COP(=O)(O)OP(=O)(O)OCCN)C(O)C3O)c2[nH]1
InChI Key	JNXZMFVCNPGTFZ-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	1,2-diols aminopyrimidines and derivatives azacyclic compounds dialkylarylamines heteroaromatic compounds hydrocarbon derivatives hypoxanthines imidazoles monoalkyl phosphates monoalkylamines monosaccharides n-substituted imidazoles organic oxides organic pyrophosphates organonitrogen compounds organopnictogen compounds oxacyclic compounds pentose phosphates phosphoethanolamines purine ribonucleoside monophosphates purines and purine derivatives pyrimidones secondary alcohols tetrahydrofurans vinylogous amides
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine phosphoethanolamine saccharide organic oxide purine ribonucleoside diphosphate aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound dialkylarylamine organoheterocyclic compound azole 1,2-diol n-substituted imidazole alcohol vinylogous amide azacycle tetrahydrofuran heteroaromatic compound organic pyrophosphate aminopyrimidine oxacycle organic oxygen compound phosphoric acid ester monoalkyl phosphate secondary alcohol hypoxanthine hydrocarbon derivative purine primary aliphatic amine organic nitrogen compound organic phosphoric acid derivative alkyl phosphate organooxygen compound

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