Ketcher 01302416052D 1   1.00000     0.00000     0

 21 23  0     1  0            999 V2000
   15.5882  -19.0257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5882  -20.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7222  -20.5257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7221  -21.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5881  -22.0256    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4541  -21.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4541  -20.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4052  -20.2167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9930  -21.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4052  -21.8347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7142  -22.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1264  -23.5948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7141  -24.4040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4050  -25.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0742  -26.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651  -24.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4742  -24.6828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6652  -23.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4742  -22.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7222  -18.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3877  -22.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  2  7  2  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  7  1  0     0  0
  6 10  1  0     0  0
  7  8  1  0     0  0
  8  9  2  0     0  0
  9 10  1  0     0  0
 11 10  1  1     0  0
 11 12  1  0     0  0
 11 18  1  0     0  0
 12 13  1  0     0  0
 13 14  1  1     0  0
 13 16  1  0     0  0
 14 15  1  0     0  0
 16 17  1  6     0  0
 16 18  1  0     0  0
 18 19  1  6     0  0
  1 20  1  0     0  0
 19 21  1  0     0  0
M  END
> <ID>
CHEBI:229469

> <NAME>
N(6),2'-O-dimethyladenosine

> <DEFINITION>
A methyladenosine compound in which two methyl groups are attached to N6 of the adenine nucleobase and O2 of the sugar.

> <STAR>
3

> <SYNONYM>
N6,O2'-dimethyladenosine; N(6),2'-O-dimethyladenosine; N(6),O(2)-dimethyladenosine; m(6)Am; (2R,3R,4R,5R)-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)-9H-purin-9-yl]tetrahydrofuran-3-ol; (2R,3R,4R,5R)-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)-9H-purin-9-yl]oxolan-3-ol

> <IUPAC_NAME>
N-methyl-2'-O-methyladenosine

> <FORMULA>
C12H17N5O4

> <MASS>
295.299

> <MONOISOTOPIC_MASS>
295.12805

> <CHARGE>
0

> <SMILES>
CNC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3OC)C2=NC=N1

> <INCHI>
InChI=1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8-,9-,12-/m1/s1

> <INCHIKEY>
GRYSXUXXBDSYRT-WOUKDFQISA-N

> <CAS_REGISTRY_NUMBER>
57817-83-1

> <PUBMED_CITATION>
22355643; 30778204; 30874375; 34362929; 34545078; 34893620; 34902250; 36689652; 37643007

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