Ketcher 10042111482D 1   1.00000     0.00000     0

 19 21  0     1  0            999 V2000
    9.8630   -9.8711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2116   -8.7780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3248   -5.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1390   -8.1085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1390   -6.4971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3248   -8.3040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4577   -6.8023    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5907   -8.3040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4501   -9.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4027   -9.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4044  -10.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4528  -10.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1451  -11.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -7.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7234   -7.3029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1917   -6.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3248   -6.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4577   -7.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8163  -12.3754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0     0  0
  1 12  1  0     0  0
 10  2  1  6     0  0
  3 17  2  0     0  0
  9  4  1  1     0  0
  4 14  1  0     0  0
  4 15  1  0     0  0
  5 15  2  0     0  0
  5 16  1  0     0  0
  6 14  1  0     0  0
  6 18  2  0     0  0
  7 17  1  0     0  0
  7 18  1  0     0  0
  8 18  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  1     0  0
 14 16  2  0     0  0
 16 17  1  0     0  0
 13 19  1  0     0  0
M  END
> <ID>
CHEBI:39874

> <NAME>
3'-deoxyguanosine

> <DEFINITION>
A 3'-deoxyribonucleoside having guanine as the nucleobase.

> <STAR>
3

> <SYNONYM>
9-(3-deoxy-beta-D-ribofuranosyl)guanine; 3-deoxyguanosine; 3'-dG; 3'-deoxy-guanosine; 2-amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one; 2-amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

> <IUPAC_NAME>
3'-deoxyguanosine

> <FORMULA>
C10H13N5O4

> <MASS>
267.245

> <MONOISOTOPIC_MASS>
267.09675

> <CHARGE>
0

> <SMILES>
NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)C[C@H]2O)C(=O)N1

> <INCHI>
InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1

> <INCHIKEY>
OROIAVZITJBGSM-OBXARNEKSA-N

> <CAS_REGISTRY_NUMBER>
3608-58-0

> <CHEMIDPLUS>
3608-58-0

> <DRUGBANK_ACCESSION>
DB03609

> <PDBECHEM_ACCESSION>
3DG

> <PUBMED_CITATION>
12548659; 12718408; 14347099; 14565254; 14565270; 15084127; 15715486; 15736128; 15983407; 22516671; 3486861; 6206038; 6982887; 8827435

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