RefMet Compound Details

MW structure38291 (View MW Metabolite Database details)
RefMet name1-Methyladenosine
Systematic name(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-imino-1-methyl-6,9-dihydro-1H-purin-9-yl)oxolane-3,4-diol
SMILESCN1C=Nc2c([n]c[n]2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N
Exact mass281.112405 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC11H15N5O4View other entries in RefMet with this formula
InChIInChI=1S/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3/t5-,7-,8-,11-/m1/s1
InChIKeyGFYLSDSUCHVORB-IOSLPCCCSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine ribonucleosides
Pubchem CID27476
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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