
 Cytidine triphosphate

 45 46  0  0  0  0  0  0  0  0999 V2000
   -0.6499    0.4309   -2.6507 C   0  0  0  0  0
   -0.3516   -0.7823   -2.2004 C   0  0  0  0  0
   -0.8531   -1.2531   -1.0114 N   0  0  0  0  0
   -1.7605   -0.4958   -0.2643 C   0  0  0  0  0
   -2.2816   -0.9609    0.7466 O   0  0  0  0  0
   -2.0276    0.7923   -0.6740 N   0  0  0  0  0
   -1.5195    1.2387   -1.7796 C   0  0  0  0  0
   -1.8014    2.5285   -2.1341 N   0  0  0  0  0
   -0.5344   -2.5872   -0.5236 C   0  0  0  0  0
   -1.4931   -3.7010   -0.9883 C   0  0  0  0  0
   -0.6212   -4.9291   -0.7646 C   0  0  0  0  0
    0.7644   -4.4125   -1.1875 C   0  0  0  0  0
    0.7784   -2.9806   -0.9751 O   0  0  0  0  0
    1.9419   -5.0533   -0.4527 C   0  0  0  0  0
    3.2076   -4.5457   -0.8676 O   0  0  0  0  0
    3.7964   -4.8216   -2.3278 P   0  0  0  0  0
    5.2784   -4.7227   -2.4517 O   0  0  0  0  0
    3.3114   -6.3174   -2.6524 O   0  0  0  0  0
    2.9714   -3.9505   -3.3605 O   0  0  0  0  0
    3.2341   -2.4099   -3.6251 P   0  0  0  0  0
    4.4389   -2.0480   -4.4286 O   0  0  0  0  0
    1.9058   -2.0049   -4.4355 O   0  0  0  0  0
    3.0776   -1.6456   -2.2498 O   0  0  0  0  0
    3.3313   -0.0900   -2.1011 P   0  0  0  0  0
    2.5453    0.8037   -2.9966 O   0  0  0  0  0
    3.0832    0.1879   -0.5482 O   0  0  0  0  0
    4.9101    0.0836   -2.2314 O   0  0  0  0  0
   -0.6493   -5.3205    0.6050 O   0  0  0  0  0
   -1.8363   -3.6398   -2.3798 O   0  0  0  0  0
   -0.2727    0.8309   -3.5808 H   0  0  0  0  0
    0.2964   -1.4346   -2.7677 H   0  0  0  0  0
   -2.1913    3.0685   -1.3679 H   0  0  0  0  0
   -1.0894    3.0270   -2.6556 H   0  0  0  0  0
   -0.4897   -2.5709    0.5739 H   0  0  0  0  0
   -2.4211   -3.7071   -0.4101 H   0  0  0  0  0
   -0.9097   -5.7922   -1.3739 H   0  0  0  0  0
    0.8719   -4.5435   -2.2681 H   0  0  0  0  0
    1.9313   -6.1423   -0.5657 H   0  0  0  0  0
    1.8776   -4.8338    0.6183 H   0  0  0  0  0
    4.0900   -6.9075   -2.6806 H   0  0  0  0  0
    2.1214   -1.8367   -5.3739 H   0  0  0  0  0
    2.1385    0.2781   -0.3296 H   0  0  0  0  0
    5.2205    0.0930   -3.1569 H   0  0  0  0  0
   -1.5450   -5.6576    0.7963 H   0  0  0  0  0
   -1.1135   -3.1947   -2.8555 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  2  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 29  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 16 19  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 20 23  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
 24 27  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 42  1  0  0  0
 27 43  1  0  0  0
 28 44  1  0  0  0
 29 45  1  0  0  0
M  END

>  <Chemical Name>
Cytidine triphosphate

>  <PubChem CID>
6176

>  <Formula>
C9H16N3O14P3

>  <Molecular Weight>
483.155000

>  <IUPAC Name>
[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

>  <XlogP>
-5.600

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

>  <Isomeric SMILES>
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O

>  <InChI Std. ID>
InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

>  <InChI Key>
PCDQPRRSZKQHHS-XVFCMESISA-N

