Marvin  01220712032D          

 32 34  0  0  1  0            999 V2000
    2.8984    4.8093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839    4.3968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8983    3.1593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    3.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6128    4.3968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    4.6517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8824    3.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    3.3168    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6524    2.5320    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1674    1.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6523    1.1971    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4369    1.4521    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1044    0.9671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4370    2.2771    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1044    2.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.8578    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.4289    0.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7144    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3973    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1838    3.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693    3.1593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8984    5.6343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 32  1  2  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2 30  1  0  0  0  0
 30  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 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 29  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 12 14  1  0  0  0  0
 14 15  1  6  0  0  0
 16 18  1  0  0  0  0
 18 17  2  0  0  0  0
 18 20  1  0  0  0  0
 18 19  1  0  0  0  0
 20 22  1  0  0  0  0
 22 21  2  0  0  0  0
 22 24  1  0  0  0  0
 22 23  1  0  0  0  0
 24 27  1  0  0  0  0
 27 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 16  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
> <ID>
CHEBI:15996

> <NAME>
GTP

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42934; CHEBI:5234; CHEBI:13342; CHEBI:24451

> <SYNONYM>
H4gtp; GUANOSINE-5'-TRIPHOSPHATE; guanosine triphosphate; guanosine 5'-triphosphoric acid; Guanosine 5'-triphosphate; GTP; 5'-GTP

> <IUPAC_NAME>
guanosine 5'-(tetrahydrogen triphosphate)

> <FORMULA>
C10H16N5O14P3

> <MASS>
523.18062

> <MONOISOTOPIC_MASS>
522.99066

> <CHARGE>
0

> <SMILES>
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O

> <INCHI>
InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

> <INCHIKEY>
XKMLYUALXHKNFT-UUOKFMHZSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
74004

> <CAS_REGISTRY_NUMBER>
86-01-1

> <CHEMIDPLUS>
86-01-1

> <DRUGBANK_ACCESSION>
DB04137

> <KEGG_COMPOUND_ACCESSION>
C00044

> <KNAPSACK_ACCESSION>
C00007223

> <PDBECHEM_ACCESSION>
GTP

> <PUBMED_CITATION>
24904988

$$$$