RefMet Compound Details

MW structure37586 (View MW Metabolite Database details)
RefMet name2-Phenylaminoadenosine
Systematic name2-[6-amino-2-(phenylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESc1ccc(cc1)Nc1nc(c2c(n1)n(cn2)C1C(C(C(CO)O1)O)O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass358.138953 (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
FormulaC16H18N6O4View other entries in RefMet with this formula
InChIInChI=1S/C16H18N6O4/c17-13-10-14(21-16(20-13)19-8-4-2-1-3-5-8)22(7-18-10)15-12(25)11(24)9(6-23)26-15/h1-5,7,9,11-12,15,23-25H,6H2,
(H3,17,19,20,21)
InChIKeySCNILGOVBBRMBK-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassPurine ribonucleosides
Pubchem CID1585
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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