65103
  -OEChem-02210610522D

 47 49  0     1  0  0  0  0  0999 V2000
    6.6648   -4.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3435   -2.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873   -0.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -3.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3452   -1.3460    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3919   -2.6534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3947   -1.0353    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5369   -3.4086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -3.4086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -5.2133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.9086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -3.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1552   -0.7596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8691    5.9486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1280    5.3044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4020    1.9172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    3.9738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.4086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2249    4.6896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4988    1.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5554    2.6330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8055   -1.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7577    0.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4838    4.0454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1430    2.5614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1765    4.9970    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.4504    1.6098    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.8134    3.3034    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.2848   -4.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4713   -2.9527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9602   -2.2822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7065    0.4055    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394   -0.3739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2493   -0.7335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794   -2.7493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825   -0.9373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.7886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.7886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7212   -1.0128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2847    6.4086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5881    4.8887    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8620    1.5016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814    3.7833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  1 15  1  0  0  0  0
  1 32  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
 10  3  1  6  0  0  0
  3 26  1  0  0  0  0
  3 35  1  0  0  0  0
  3 36  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  5 12  1  0  0  0  0
  5 15  1  0  0  0  0
  6 14  1  0  0  0  0
  6 21  2  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  7 14  2  0  0  0  0
  8 10  1  0  0  0  0
  8 16  1  1  0  0  0
  8 37  1  0  0  0  0
  9 15  1  6  0  0  0
  9 25  1  0  0  0  0
  9 38  1  0  0  0  0
 10 25  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 29  1  0  0  0  0
 17 44  1  0  0  0  0
 18 29  1  0  0  0  0
 18 45  1  0  0  0  0
 19 30  1  0  0  0  0
 19 46  1  0  0  0  0
 20 31  1  0  0  0  0
 20 47  1  0  0  0  0
 22 29  2  0  0  0  0
 23 30  2  0  0  0  0
 24 31  2  0  0  0  0
 26 30  1  0  0  0  0
 27 29  1  0  0  0  0
 27 31  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
65103

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
17

> <PUBCHEM_CACTVS_HBOND_DONOR>
7

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQO8c+AAAAAAAAAAAAAAAABAYgEAACAAAAAAAAABQAAAHgAAgCAIEADhHAgAsAUGlhAXzBdxB0GogICAdKAQFy2oAVABWIFAVCDIQAoPgEAeAMMCAAow8GAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid

> <PUBCHEM_IUPAC_NAME>
[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[[[(2R,3S,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1/f/h13,18-19,21,23H,11H2

> <PUBCHEM_CACTVS_XLOGP>
-3.71

> <PUBCHEM_OPENEYE_MF>
C10H16N5O13P3

> <PUBCHEM_OPENEYE_MW>
507.181

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O

> <PUBCHEM_CACTVS_TPSA>
274.58

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
3

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
6

> <PUBCHEM_SUBSTANCE_ID>
207063

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
002564354

> <PUBCHEM_SUBSTANCE_SYNONYM>
2'-Deoxyguanosine 5'-(tetrahydrogen triphosphate)
2'-Deoxyguanosine triphosphate
2564-35-4
5'-DGTP
Deoxy-GTP
Deoxyguanosine 5'-triphosphate
Deoxyguanosine triphosphate
EINECS 219-887-2
Guanosine 2'-deoxy-, 5'-triphosphate
Guanosine 5'-(tetrahydrogen triphosphate), 2'-deoxy- (9CI)
Guanosine, 2'-deoxy-, 5'-(tetrahydrogen triphosphate)
dGTP

> <PUBCHEM_GENERIC_REGISTRY_NAME>
2564-35-4

> <PUBCHEM_XREF_EXT_ID>
002564354

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=002564354

> <PUBCHEM_CID_ASSOCIATIONS>
65103  1

> <PUBCHEM_BONDANNOTATIONS>
1  13  8
1  15  8
10  3  6
4  13  8
4  5  8
4  6  8
5  12  8
5  15  8
6  14  8
7  12  8
7  14  8
8  16  5
9  15  6

$$$$