
 UDP-glucose

 60 62  0  0  0  0  0  0  0  0999 V2000
    7.8609   -1.8539    6.0134 C   0  0  0  0  0
    6.8451   -1.5356    5.2087 C   0  0  0  0  0
    5.7010   -2.3111    5.1139 N   0  0  0  0  0
    5.5854   -3.4982    5.8180 C   0  0  0  0  0
    4.5833   -4.2100    5.7847 O   0  0  0  0  0
    6.6467   -3.8322    6.6152 N   0  0  0  0  0
    7.7736   -3.0859    6.8082 C   0  0  0  0  0
    8.6617   -3.4060    7.5858 O   0  0  0  0  0
    4.6207   -1.9644    4.1797 C   0  0  0  0  0
    3.1890   -1.8762    4.7837 C   0  0  0  0  0
    2.5797   -0.7090    4.0168 C   0  0  0  0  0
    3.8021    0.1881    3.8738 C   0  0  0  0  0
    4.8916   -0.6965    3.5558 O   0  0  0  0  0
    3.7239    1.2872    2.8227 C   0  0  0  0  0
    4.9613    1.9849    2.7019 O   0  0  0  0  0
    5.5256    2.8530    3.9239 P   0  0  0  0  0
    4.5243    3.7413    4.5823 O   0  0  0  0  0
    6.1082    1.7710    4.9483 O   0  0  0  0  0
    6.8227    3.5540    3.3538 O   0  0  0  0  0
    7.8294    4.4284    4.1990 P   0  0  0  0  0
    8.4426    3.8030    5.4070 O   0  0  0  0  0
    8.9128    4.8298    3.0846 O   0  0  0  0  0
    7.0588    5.8084    4.4543 O   0  0  0  0  0
    7.6074    6.7198    5.3918 C   0  0  0  0  0
    8.8865    7.3926    4.8637 C   0  0  0  0  0
    8.5360    8.0851    3.5384 C   0  0  0  0  0
    7.3987    9.0916    3.7504 C   0  0  0  0  0
    6.2174    8.4802    4.5422 C   0  0  0  0  0
    6.6556    7.7382    5.6990 O   0  0  0  0  0
    5.2119    9.5446    5.0207 C   0  0  0  0  0
    5.7912   10.5159    5.8916 O   0  0  0  0  0
    7.9545   10.2297    4.4368 O   0  0  0  0  0
    9.6889    8.7830    3.0378 O   0  0  0  0  0
    9.9614    6.4536    4.6563 O   0  0  0  0  0
    2.0838   -1.1379    2.7505 O   0  0  0  0  0
    3.1751   -1.5512    6.1805 O   0  0  0  0  0
    8.7541   -1.2508    6.1045 H   0  0  0  0  0
    6.9040   -0.6370    4.6012 H   0  0  0  0  0
    6.5684   -4.6815    7.1512 H   0  0  0  0  0
    4.6278   -2.7109    3.3763 H   0  0  0  0  0
    2.6334   -2.8089    4.6421 H   0  0  0  0  0
    1.7748   -0.1966    4.5537 H   0  0  0  0  0
    4.0227    0.6304    4.8511 H   0  0  0  0  0
    2.9260    2.0008    3.0510 H   0  0  0  0  0
    3.5232    0.8591    1.8354 H   0  0  0  0  0
    5.8563    1.9800    5.8679 H   0  0  0  0  0
    9.6770    5.2806    3.5095 H   0  0  0  0  0
    7.8225    6.1839    6.3226 H   0  0  0  0  0
    9.2542    8.1396    5.5781 H   0  0  0  0  0
    8.2530    7.3526    2.7744 H   0  0  0  0  0
    7.0431    9.4670    2.7837 H   0  0  0  0  0
    5.6749    7.7833    3.8916 H   0  0  0  0  0
    4.3995    9.0684    5.5797 H   0  0  0  0  0
    4.7798   10.0735    4.1659 H   0  0  0  0  0
    6.6955   10.6894    5.5505 H   0  0  0  0  0
    8.7930   10.4147    3.9580 H   0  0  0  0  0
   10.4063    8.1197    3.0018 H   0  0  0  0  0
   10.3010    6.2317    5.5522 H   0  0  0  0  0
    1.2780   -1.6608    2.9133 H   0  0  0  0  0
    3.4395   -2.3688    6.6450 H   0  0  0  0  0
  1  2  2  0  0  0
  1  7  1  0  0  0
  1 37  1  0  0  0
  2  3  1  0  0  0
  2 38  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  1  0  0  0
  6 39  1  0  0  0
  7  8  2  0  0  0
  9 13  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 12 14  1  0  0  0
 12 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  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 46  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 47  1  0  0  0
 23 24  1  0  0  0
 24 29  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  1  0  0  0
 25 34  1  0  0  0
 25 49  1  0  0  0
 26 27  1  0  0  0
 26 33  1  0  0  0
 26 50  1  0  0  0
 27 28  1  0  0  0
 27 32  1  0  0  0
 27 51  1  0  0  0
 28 29  1  0  0  0
 28 30  1  0  0  0
 28 52  1  0  0  0
 30 31  1  0  0  0
 30 53  1  0  0  0
 30 54  1  0  0  0
 31 55  1  0  0  0
 32 56  1  0  0  0
 33 57  1  0  0  0
 34 58  1  0  0  0
 35 59  1  0  0  0
 36 60  1  0  0  0
M  END

>  <Chemical Name>
UDP-glucose

>  <PubChem CID>
8629

>  <Formula>
C15H24N2O17P2

>  <Molecular Weight>
566.302000

>  <IUPAC Name>
[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate

>  <XlogP>
-6.300

>  <Hydrogen Bond Donors>
9

>  <Hydrogen Bond Acceptors>
17

>  <Canonical SMILES>
C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O

>  <Isomeric SMILES>
C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

>  <InChI Std. ID>
InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1

>  <InChI Key>
HSCJRCZFDFQWRP-JZMIEXBBSA-N

