RefMet Compound Details

MW structure78529 (View MW Metabolite Database details)
RefMet nameN-Allyladenosine
Systematic name(2R,3R,4S,5R)-2-[6-(allylamino)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
SMILESC=CCNc1c2c(ncn1)n(cn2)[C@H]1[C@@H]([C@@H]([C@@H](CO)O1)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass307.128055 (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
FormulaC13H17N5O4View other entries in RefMet with this formula
InChIInChI=1S/C13H17N5O4/c1-2-3-14-11-8-12(16-5-15-11)18(6-17-8)13-10(21)9(20)7(4-19)22-13/h2,5-7,9-10,13,19-21H,1,3-4H2,(H,14,15,16)/t
7-,9-,10-,13-/m1/s1
InChIKeyWTYYPLSFICPDGL-QYVSTXNMSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassOther purines
Pubchem CID97078
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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