Marvin  01201111532D          

 20 22  0  0  1  0            999 V2000
    0.9372   -1.0517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2227   -1.4642    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9371   -2.7017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -1.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362   -1.2093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9212   -1.8768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4362   -2.5442    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6912   -3.3290    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2062   -3.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6911   -4.6639    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4361   -5.4485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9882   -6.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4757   -4.4089    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1432   -4.8939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4758   -3.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2226   -2.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4919   -2.7017    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9372   -0.2267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7462   -1.8768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 19  1  2  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2 17  1  0  0  0  0
 17  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  1  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 17 18  1  0  0  0  0
  7 20  1  0  0  0  0
M  END
> <ID>
CHEBI:40304

> <NAME>
8-hydroxy-2'-deoxyguanosine

> <DEFINITION>
Guanosine substituted at the purine 8-position by a hydroxy group. It is used as a biomarker of oxidative DNA damage.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:61068

> <SYNONYM>
8-Oxoguanosine; 8-Oxo-dG; 8-Oxo-7-hydrodeoxyguanosine; 8-Oxo-7,8-dihydro-2'-deoxyguanosine; 8-oxo-2'-dG; 8-Oxo-2'-deoxyguanine; 8-OHdG; 8-Hydroxydeoxyguanosine; 8-HYDROXY-2'-DEOXYGUANOSINE; 7,8-Dihydro-2'-deoxy-8-oxoguanosine

> <IUPAC_NAME>
2'-deoxy-8-oxoguanosine; 2'-deoxy-8-hydroxyguanosine

> <FORMULA>
C10H13N5O5

> <MASS>
283.24070

> <MONOISOTOPIC_MASS>
283.09167

> <CHARGE>
0

> <SMILES>
Nc1nc2n([C@H]3C[C@H](O)[C@@H](CO)O3)c(O)nc2c(=O)[nH]1

> <INCHI>
InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1

> <INCHIKEY>
HCAJQHYUCKICQH-VPENINKCSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5994628

> <CAS_REGISTRY_NUMBER>
88847-89-6

> <REAXYS_REGISTRY_NUMBER>
4882818

> <CHEMIDPLUS>
88847-89-6

> <DRUGBANK_ACCESSION>
DB02502

> <PDBECHEM_ACCESSION>
8HG

> <WIKIPEDIA_ACCESSION>
8-Oxo-2'-deoxyguanosine

> <PUBMED_CITATION>
20081197; 11559029; 9778313

$$$$