8977
  -OEChem-04260609152D

 43 45  0     1  0  0  0  0  0999 V2000
    6.4504    2.4965    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    6.8134    4.1900    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.1430    3.4480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7577    1.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4020    2.8038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0714    4.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4838    4.9320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1515   -2.0486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1552    0.1270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8055   -0.9567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4988    2.1891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5554    3.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.5220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.7173    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -4.0220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -4.3267    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0873    0.8029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919   -1.7667    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3947   -0.1487    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3435   -1.4594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3452   -0.4594    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4030   -3.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -3.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -3.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8620    2.3882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2933    5.5220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4814    4.6699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183   -1.7974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7212   -0.1261    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.8320    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.9020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7065    1.2921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    0.5128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7794   -1.8627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825   -0.0507    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8964   -1.1789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2493    0.1532    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -3.5220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2 12  2  0  0  0  0
  4 19  1  0  0  0  0
  5 29  1  0  0  0  0
  6 31  1  0  0  0  0
  7 30  1  0  0  0  0
 22  8  1  1  0  0  0
  8 32  1  0  0  0  0
 23  9  1  1  0  0  0
  9 33  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 13 26  2  0  0  0  0
 14 24  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 20 15  1  6  0  0  0
 15 25  1  0  0  0  0
 15 28  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 36  1  0  0  0  0
 17 24  2  0  0  0  0
 17 26  1  0  0  0  0
 18 27  1  0  0  0  0
 18 28  2  0  0  0  0
 21 19  1  6  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 22  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 25 27  2  0  0  0  0
 26 27  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
8977

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
15

> <PUBCHEM_CACTVS_HBOND_DONOR>
7

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzvAMAAAAAAAAAAAAAAAAAAWJAAAAgAAAAAAAAAEABgAAAHgAQCCAACBzhlgYFsBfMFxCoQQdxdICAgC0XEKABUAGoVECDWApAyCAeQIAPAALTAGDwMAoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

> <PUBCHEM_IUPAC_CAS_NAME>
[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

> <PUBCHEM_IUPAC_NAME>
[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[[(2S,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1/f/h13,19-20,22H,11H2

> <PUBCHEM_CACTVS_XLOGP>
-4.084

> <PUBCHEM_CACTVS_EXACT_MASS>
443.024

> <PUBCHEM_OPENEYE_MF>
C10H15N5O11P2

> <PUBCHEM_OPENEYE_MW>
443.201

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=NC2=C(N1[C@H]3[C@@H]([C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N

> <PUBCHEM_CACTVS_TPSA>
248.28

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
443.024

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
4

> <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>
152135

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000146918

> <PUBCHEM_SUBSTANCE_SYNONYM>
146-91-8
2577-83-5
GDP
GRPP
GUANOSINE DIPHOSPHATE
Guanosine 5'-(trihydrogen diphosphate)
Guanosine pyrophosphate

> <PUBCHEM_GENERIC_REGISTRY_NAME>
146-91-8
2577-83-5

> <PUBCHEM_XREF_EXT_ID>
000146918

> <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=000146918

> <PUBCHEM_CID_ASSOCIATIONS>
8977  1

> <PUBCHEM_BONDANNOTATIONS>
20  15  6
15  25  8
15  28  8
16  24  8
16  25  8
17  24  8
17  26  8
18  27  8
18  28  8
21  19  6
25  27  8
26  27  8
22  8  5
23  9  5

$$$$