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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-08-12 19:25:22 UTC

Update Date

2021-09-14 15:48:15 UTC

HMDB ID

HMDB0003369

Secondary Accession Numbers

HMDB03369

Metabolite Identification

Common Name

CDP-glucose

Description

CDP-glucose, also known as CDP-D-glucose or CDP-GLC, belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. CDP-glucose has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make CDP-glucose a potential biomarker for the consumption of these foods. CDP-glucose is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on CDP-glucose.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI


  Mrv0541 02231219422D          

 36 38  0  0  1  0            999 V2000
   26.6177  -10.3971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.0696   -9.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9372   -9.9056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3682  -11.1684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.3514   -8.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7918   -8.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2754  -10.3858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.5364  -11.1684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.8559  -11.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3551   -8.0560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6367   -9.2886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7918   -8.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4891   -9.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0637  -11.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0735   -7.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6686   -9.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0735   -6.8196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8444   -9.8648    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   22.0239   -9.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8444  -10.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8444   -8.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1959   -9.8648    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   20.3754   -9.8610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1921  -10.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1959   -8.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6608  -10.2693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9425   -9.8610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6608  -11.0899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2316  -10.2732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9425  -11.5057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.3754  -11.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2316  -11.0936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.5284   -9.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9425  -12.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5284  -11.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8970  -10.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 26 23  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  1  1  0  0  0
 30 34  1  1  0  0  0
 32 35  1  6  0  0  0
 33 36  1  0  0  0  0
  7  8  1  0  0  0  0
 12 15  1  0  0  0  0
 30 32  1  0  0  0  0
M  END

HMDB0003369
     RDKit          3D
CDP-glucose
 61 63  0  0  0  0  0  0  0  0999 V2000
   -9.6016   -1.8166    0.5792 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3081   -1.3559    0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7640   -0.2246    0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4902    0.2162    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7646   -0.4389   -0.5238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4662   -0.0488   -0.9567 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4280   -0.4631   -0.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146    0.1934   -0.6057 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3269    0.5093    0.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694   -0.6187    1.1421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141   -0.1282    2.3446 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.3794    1.0547    3.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3776   -1.3893    3.4506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    0.3715    1.7298 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9527   -0.6713    2.2064 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6184   -0.1135    3.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -2.2185    2.5279 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1105   -0.7228    0.9753 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2406    0.5132    0.3716 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5225    1.0240    0.5028 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4805    0.0792    0.1028 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7873    0.8440   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8241    0.0215   -0.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1144   -0.5805   -1.1915 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5727   -1.8422   -0.9193 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1119    0.2505   -1.9450 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7333    1.4698   -2.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729    0.4613   -1.1031 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9735   -0.5746   -1.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380    1.5046   -1.2098 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5424    1.4649   -2.6034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2526    1.4669   -0.9589 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9552    2.0864   -1.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3304   -1.5479   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6608   -2.1866   -1.9453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5530   -1.9854   -0.7148 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4696   -1.2970    0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7645   -2.6821    1.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3223    0.3156    1.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0717    1.1004    0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2287   -0.3727   -1.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167   -0.4404   -1.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8491    1.1820    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217    1.1146    0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253   -2.0691    3.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859   -2.5025    1.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5412    1.2177    0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5786   -0.6285    0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0277    1.3377    0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6941    1.6606   -0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0012    0.0756   -1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0053   -0.7246   -1.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1339   -2.3622   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7876   -0.2915   -2.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    2.1978   -1.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3564    1.4044   -1.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274   -1.2292   -1.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2658    2.3796   -0.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3975    1.3572   -3.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3924    1.9118    0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5790    2.7410   -1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  8 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  2  0
 34 36  1  0
 36  2  2  0
 32  6  1  0
 28 19  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  4 40  1  0
  6 41  1  6
  8 42  1  6
  9 43  1  0
  9 44  1  0
 13 45  1  0
 17 46  1  0
 19 47  1  1
 21 48  1  1
 22 49  1  0
 22 50  1  0
 23 51  1  0
 24 52  1  6
 25 53  1  0
 26 54  1  6
 27 55  1  0
 28 56  1  6
 29 57  1  0
 30 58  1  1
 31 59  1  0
 32 60  1  1
 33 61  1  0
M  END


  Mrv0541 02231219422D          

 36 38  0  0  1  0            999 V2000
   26.6177  -10.3971    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.0696   -9.2999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.9372   -9.9056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3682  -11.1684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.3514   -8.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7918   -8.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2754  -10.3858    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   25.5364  -11.1684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.8559  -11.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.3551   -8.0560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.6367   -9.2886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7918   -8.0598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4891   -9.8648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0637  -11.8376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0735   -7.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6686   -9.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0735   -6.8196    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8444   -9.8648    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   22.0239   -9.8648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8444  -10.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8444   -8.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1959   -9.8648    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   20.3754   -9.8610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1921  -10.7273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1959   -8.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6608  -10.2693    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9425   -9.8610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6608  -11.0899    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.2316  -10.2732    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   18.9425  -11.5057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   20.3754  -11.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2316  -11.0936    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   17.5284   -9.8610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9425  -12.3262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5284  -11.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8970  -10.3904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  6  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  1  0  0  0
  8 14  1  6  0  0  0
 10 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  2  0  0  0  0
 19 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  2  0  0  0  0
 26 23  1  6  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  6  0  0  0
 29 32  1  0  0  0  0
 29 33  1  1  0  0  0
 30 34  1  1  0  0  0
 32 35  1  6  0  0  0
 33 36  1  0  0  0  0
  7  8  1  0  0  0  0
 12 15  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0003369

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1

> <INCHI_KEY>
CGPHZDRCVSLMCF-JZMIEXBBSA-N

> <FORMULA>
C15H25N3O16P2

> <MOLECULAR_WEIGHT>
565.317

> <EXACT_MASS>
565.071004791

> <JCHEM_ACCEPTOR_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
45.941490450985455

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid

> <ALOGPS_LOGP>
-1.36

> <JCHEM_LOGP>
-5.6687219669634725

> <ALOGPS_LOGS>
-1.30

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.158312053500531

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7346226959637967

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5844091015948797

> <JCHEM_POLAR_SURFACE_AREA>
300.82

> <JCHEM_REFRACTIVITY>
108.43499999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.86e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
cytidine diphosphate glucose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0003369
     RDKit          3D
CDP-glucose
 61 63  0  0  0  0  0  0  0  0999 V2000
   -9.6016   -1.8166    0.5792 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3081   -1.3559    0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7640   -0.2246    0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4902    0.2162    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7646   -0.4389   -0.5238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4662   -0.0488   -0.9567 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4280   -0.4631   -0.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146    0.1934   -0.6057 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3269    0.5093    0.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694   -0.6187    1.1421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141   -0.1282    2.3446 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.3794    1.0547    3.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3776   -1.3893    3.4506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    0.3715    1.7298 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9527   -0.6713    2.2064 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6184   -0.1135    3.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -2.2185    2.5279 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1105   -0.7228    0.9753 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2406    0.5132    0.3716 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5225    1.0240    0.5028 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4805    0.0792    0.1028 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7873    0.8440   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8241    0.0215   -0.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1144   -0.5805   -1.1915 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5727   -1.8422   -0.9193 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1119    0.2505   -1.9450 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7333    1.4698   -2.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729    0.4613   -1.1031 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9735   -0.5746   -1.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380    1.5046   -1.2098 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5424    1.4649   -2.6034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2526    1.4669   -0.9589 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9552    2.0864   -1.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3304   -1.5479   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6608   -2.1866   -1.9453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5530   -1.9854   -0.7148 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4696   -1.2970    0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7645   -2.6821    1.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3223    0.3156    1.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0717    1.1004    0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2287   -0.3727   -1.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167   -0.4404   -1.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8491    1.1820    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217    1.1146    0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253   -2.0691    3.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859   -2.5025    1.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5412    1.2177    0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5786   -0.6285    0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0277    1.3377    0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6941    1.6606   -0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0012    0.0756   -1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0053   -0.7246   -1.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1339   -2.3622   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7876   -0.2915   -2.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    2.1978   -1.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3564    1.4044   -1.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274   -1.2292   -1.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2658    2.3796   -0.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3975    1.3572   -3.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3924    1.9118    0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5790    2.7410   -1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  8 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  2  0
 34 36  1  0
 36  2  2  0
 32  6  1  0
 28 19  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  4 40  1  0
  6 41  1  6
  8 42  1  6
  9 43  1  0
  9 44  1  0
 13 45  1  0
 17 46  1  0
 19 47  1  1
 21 48  1  1
 22 49  1  0
 22 50  1  0
 23 51  1  0
 24 52  1  6
 25 53  1  0
 26 54  1  6
 27 55  1  0
 28 56  1  6
 29 57  1  0
 30 58  1  1
 31 59  1  0
 32 60  1  1
 33 61  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      49.686 -19.408   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      50.530 -17.360   0.000  0.00  0.00           N+0
HETATM    3  O   UNK     0      48.416 -18.490   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      49.221 -20.848   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      49.189 -16.577   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      51.878 -16.605   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      47.181 -19.387   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      47.668 -20.848   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      50.131 -22.083   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      49.196 -15.038   0.000  0.00  0.00           N+0
HETATM   11  O   UNK     0      47.855 -17.339   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      51.878 -15.045   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      45.713 -18.414   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      46.786 -22.097   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      50.537 -14.262   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      44.181 -18.414   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      50.537 -12.730   0.000  0.00  0.00           N+0
HETATM   18  P   UNK     0      42.643 -18.414   0.000  0.00  0.00           P+0
HETATM   19  O   UNK     0      41.111 -18.414   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      42.643 -20.024   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      42.643 -16.797   0.000  0.00  0.00           O+0
HETATM   22  P   UNK     0      39.566 -18.414   0.000  0.00  0.00           P+0
HETATM   23  O   UNK     0      38.034 -18.407   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      39.559 -20.024   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      39.566 -16.797   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      36.700 -19.169   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      35.359 -18.407   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      36.700 -20.701   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      34.032 -19.177   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      35.359 -21.477   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      38.034 -21.477   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      34.032 -20.708   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      32.720 -18.407   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      35.359 -23.009   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      32.720 -21.477   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0      31.541 -19.395   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7                                                       
CONECT    4    1    8    9                                                  
CONECT    5    2   10   11                                                  
CONECT    6    2   12                                                       
CONECT    7    3   13    8                                                  
CONECT    8    4   14    7                                                  
CONECT    9    4                                                            
CONECT   10    5   15                                                       
CONECT   11    5                                                            
CONECT   12    6   15                                                       
CONECT   13    7   16                                                       
CONECT   14    8                                                            
CONECT   15   10   17   12                                                  
CONECT   16   13   18                                                       
CONECT   17   15                                                            
CONECT   18   16   19   20   21                                             
CONECT   19   18   22                                                       
CONECT   20   18                                                            
CONECT   21   18                                                            
CONECT   22   19   23   24   25                                             
CONECT   23   22   26                                                       
CONECT   24   22                                                            
CONECT   25   22                                                            
CONECT   26   23   27   28                                                  
CONECT   27   26   29                                                       
CONECT   28   26   30   31                                                  
CONECT   29   27   32   33                                                  
CONECT   30   28   34   32                                                  
CONECT   31   28                                                            
CONECT   32   29   35   30                                                  
CONECT   33   29   36                                                       
CONECT   34   30                                                            
CONECT   35   32                                                            
CONECT   36   33                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   76    0
END

COMPND    HMDB0003369
HETATM    1  N1  UNL     1      -9.602  -1.817   0.579  1.00  0.00           N  
HETATM    2  C1  UNL     1      -8.308  -1.356   0.204  1.00  0.00           C  
HETATM    3  C2  UNL     1      -7.764  -0.225   0.778  1.00  0.00           C  
HETATM    4  C3  UNL     1      -6.490   0.216   0.399  1.00  0.00           C  
HETATM    5  N2  UNL     1      -5.765  -0.439  -0.524  1.00  0.00           N  
HETATM    6  C4  UNL     1      -4.466  -0.049  -0.957  1.00  0.00           C  
HETATM    7  O1  UNL     1      -3.428  -0.463  -0.153  1.00  0.00           O  
HETATM    8  C5  UNL     1      -2.315   0.193  -0.606  1.00  0.00           C  
HETATM    9  C6  UNL     1      -1.327   0.509   0.503  1.00  0.00           C  
HETATM   10  O2  UNL     1      -0.869  -0.619   1.142  1.00  0.00           O  
HETATM   11  P1  UNL     1       0.214  -0.128   2.345  1.00  0.00           P  
HETATM   12  O3  UNL     1      -0.379   1.055   3.113  1.00  0.00           O  
HETATM   13  O4  UNL     1       0.378  -1.389   3.451  1.00  0.00           O  
HETATM   14  O5  UNL     1       1.685   0.372   1.730  1.00  0.00           O  
HETATM   15  P2  UNL     1       2.953  -0.671   2.206  1.00  0.00           P  
HETATM   16  O6  UNL     1       3.618  -0.113   3.443  1.00  0.00           O  
HETATM   17  O7  UNL     1       2.352  -2.218   2.528  1.00  0.00           O  
HETATM   18  O8  UNL     1       4.111  -0.723   0.975  1.00  0.00           O  
HETATM   19  C7  UNL     1       4.241   0.513   0.372  1.00  0.00           C  
HETATM   20  O9  UNL     1       5.523   1.024   0.503  1.00  0.00           O  
HETATM   21  C8  UNL     1       6.480   0.079   0.103  1.00  0.00           C  
HETATM   22  C9  UNL     1       7.787   0.844  -0.047  1.00  0.00           C  
HETATM   23  O10 UNL     1       8.824   0.021  -0.441  1.00  0.00           O  
HETATM   24  C10 UNL     1       6.114  -0.581  -1.191  1.00  0.00           C  
HETATM   25  O11 UNL     1       5.573  -1.842  -0.919  1.00  0.00           O  
HETATM   26  C11 UNL     1       5.112   0.251  -1.945  1.00  0.00           C  
HETATM   27  O12 UNL     1       5.733   1.470  -2.257  1.00  0.00           O  
HETATM   28  C12 UNL     1       3.873   0.461  -1.103  1.00  0.00           C  
HETATM   29  O13 UNL     1       2.973  -0.575  -1.269  1.00  0.00           O  
HETATM   30  C13 UNL     1      -2.738   1.505  -1.210  1.00  0.00           C  
HETATM   31  O14 UNL     1      -2.542   1.465  -2.603  1.00  0.00           O  
HETATM   32  C14 UNL     1      -4.253   1.467  -0.959  1.00  0.00           C  
HETATM   33  O15 UNL     1      -4.955   2.086  -1.970  1.00  0.00           O  
HETATM   34  C15 UNL     1      -6.330  -1.548  -1.067  1.00  0.00           C  
HETATM   35  O16 UNL     1      -5.661  -2.187  -1.945  1.00  0.00           O  
HETATM   36  N3  UNL     1      -7.553  -1.985  -0.715  1.00  0.00           N  
HETATM   37  H1  UNL     1     -10.470  -1.297   0.299  1.00  0.00           H  
HETATM   38  H2  UNL     1      -9.765  -2.682   1.145  1.00  0.00           H  
HETATM   39  H3  UNL     1      -8.322   0.316   1.516  1.00  0.00           H  
HETATM   40  H4  UNL     1      -6.072   1.100   0.851  1.00  0.00           H  
HETATM   41  H5  UNL     1      -4.229  -0.373  -1.994  1.00  0.00           H  
HETATM   42  H6  UNL     1      -1.817  -0.440  -1.384  1.00  0.00           H  
HETATM   43  H7  UNL     1      -1.849   1.182   1.215  1.00  0.00           H  
HETATM   44  H8  UNL     1      -0.522   1.115   0.039  1.00  0.00           H  
HETATM   45  H9  UNL     1      -0.325  -2.069   3.319  1.00  0.00           H  
HETATM   46  H10 UNL     1       1.686  -2.503   1.864  1.00  0.00           H  
HETATM   47  H11 UNL     1       3.541   1.218   0.863  1.00  0.00           H  
HETATM   48  H12 UNL     1       6.579  -0.629   0.946  1.00  0.00           H  
HETATM   49  H13 UNL     1       8.028   1.338   0.927  1.00  0.00           H  
HETATM   50  H14 UNL     1       7.694   1.661  -0.788  1.00  0.00           H  
HETATM   51  H15 UNL     1       9.001   0.076  -1.423  1.00  0.00           H  
HETATM   52  H16 UNL     1       7.005  -0.725  -1.838  1.00  0.00           H  
HETATM   53  H17 UNL     1       6.134  -2.362  -0.310  1.00  0.00           H  
HETATM   54  H18 UNL     1       4.788  -0.292  -2.862  1.00  0.00           H  
HETATM   55  H19 UNL     1       5.167   2.198  -1.948  1.00  0.00           H  
HETATM   56  H20 UNL     1       3.356   1.404  -1.393  1.00  0.00           H  
HETATM   57  H21 UNL     1       3.227  -1.229  -1.941  1.00  0.00           H  
HETATM   58  H22 UNL     1      -2.266   2.380  -0.763  1.00  0.00           H  
HETATM   59  H23 UNL     1      -3.398   1.357  -3.092  1.00  0.00           H  
HETATM   60  H24 UNL     1      -4.392   1.912   0.036  1.00  0.00           H  
HETATM   61  H25 UNL     1      -5.579   2.741  -1.544  1.00  0.00           H  
CONECT    1    2   37   38
CONECT    2    3   36   36
CONECT    3    4    4   39
CONECT    4    5   40
CONECT    5    6   34
CONECT    6    7   32   41
CONECT    7    8
CONECT    8    9   30   42
CONECT    9   10   43   44
CONECT   10   11
CONECT   11   12   12   13   14
CONECT   13   45
CONECT   14   15
CONECT   15   16   16   17   18
CONECT   17   46
CONECT   18   19
CONECT   19   20   28   47
CONECT   20   21
CONECT   21   22   24   48
CONECT   22   23   49   50
CONECT   23   51
CONECT   24   25   26   52
CONECT   25   53
CONECT   26   27   28   54
CONECT   27   55
CONECT   28   29   56
CONECT   29   57
CONECT   30   31   32   58
CONECT   31   59
CONECT   32   33   60
CONECT   33   61
CONECT   34   35   35   36
END

HMDB0003369
     RDKit          3D
CDP-glucose
 61 63  0  0  0  0  0  0  0  0999 V2000
   -9.6016   -1.8166    0.5792 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3081   -1.3559    0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7640   -0.2246    0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4902    0.2162    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7646   -0.4389   -0.5238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4662   -0.0488   -0.9567 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4280   -0.4631   -0.1527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146    0.1934   -0.6057 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3269    0.5093    0.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8694   -0.6187    1.1421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2141   -0.1282    2.3446 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.3794    1.0547    3.1132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3776   -1.3893    3.4506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    0.3715    1.7298 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9527   -0.6713    2.2064 P   0  0  0  0  0  5  0  0  0  0  0  0
    3.6184   -0.1135    3.4433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517   -2.2185    2.5279 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1105   -0.7228    0.9753 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2406    0.5132    0.3716 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5225    1.0240    0.5028 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4805    0.0792    0.1028 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7873    0.8440   -0.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8241    0.0215   -0.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1144   -0.5805   -1.1915 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5727   -1.8422   -0.9193 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1119    0.2505   -1.9450 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7333    1.4698   -2.2569 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8729    0.4613   -1.1031 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9735   -0.5746   -1.2694 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380    1.5046   -1.2098 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5424    1.4649   -2.6034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2526    1.4669   -0.9589 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.9552    2.0864   -1.9702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3304   -1.5479   -1.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6608   -2.1866   -1.9453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5530   -1.9854   -0.7148 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4696   -1.2970    0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7645   -2.6821    1.1447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3223    0.3156    1.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0717    1.1004    0.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2287   -0.3727   -1.9941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8167   -0.4404   -1.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8491    1.1820    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5217    1.1146    0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253   -2.0691    3.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6859   -2.5025    1.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5412    1.2177    0.8630 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5786   -0.6285    0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0277    1.3377    0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6941    1.6606   -0.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0012    0.0756   -1.4229 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0053   -0.7246   -1.8384 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1339   -2.3622   -0.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7876   -0.2915   -2.8621 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1667    2.1978   -1.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3564    1.4044   -1.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2274   -1.2292   -1.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2658    2.3796   -0.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3975    1.3572   -3.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3924    1.9118    0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5790    2.7410   -1.5440 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
  8 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
  5 34  1  0
 34 35  2  0
 34 36  1  0
 36  2  2  0
 32  6  1  0
 28 19  1  0
  1 37  1  0
  1 38  1  0
  3 39  1  0
  4 40  1  0
  6 41  1  6
  8 42  1  6
  9 43  1  0
  9 44  1  0
 13 45  1  0
 17 46  1  0
 19 47  1  1
 21 48  1  1
 22 49  1  0
 22 50  1  0
 23 51  1  0
 24 52  1  6
 25 53  1  0
 26 54  1  6
 27 55  1  0
 28 56  1  6
 29 57  1  0
 30 58  1  1
 31 59  1  0
 32 60  1  1
 33 61  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
CDP-D-Glucose	ChEBI
CDP-GLC	ChEBI
Cytidine diphosphate-glucose	MeSH, HMDB
CDP-a-D-Glucose	Generator, HMDB
CDP-Α-D-glucose	Generator, HMDB
CDP-Glucose	MeSH

Chemical Formula

C₁₅H₂₅N₃O₁₆P₂

Average Molecular Weight

565.317

Monoisotopic Molecular Weight

565.071004791

IUPAC Name

{[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[hydroxy({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy})phosphinic acid

Traditional Name

cytidine diphosphate glucose

CAS Registry Number

2906-23-2

SMILES

NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C15H25N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H2,16,17,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1

InChI Key

CGPHZDRCVSLMCF-JZMIEXBBSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Sub Class

Pyrimidine nucleotide sugars

Direct Parent

Pyrimidine nucleotide sugars

Alternative Parents

Substituents

Pyrimidine nucleotide sugar
Pyrimidine ribonucleoside diphosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Organic pyrophosphate
Aminopyrimidine
Pyrimidone
Monoalkyl phosphate
Hydropyrimidine
Monosaccharide
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Pyrimidine
Imidolactam
Alkyl phosphate
Tetrahydrofuran
Heteroaromatic compound
Secondary alcohol
Polyol
Oxacycle
Organoheterocyclic compound
Azacycle
Organic oxide
Organonitrogen compound
Hydrocarbon derivative
Organic nitrogen compound
Amine
Primary amine
Organooxygen compound
Organopnictogen compound
Alcohol
Organic oxygen compound
Primary alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

CDP-sugar (CHEBI:28942 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0003369)

Source

Endogenous

Endogenous (HMDB: HMDB0003369)

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	28.6 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-5.7	ChemAxon
logS	-1.3	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	-0.58	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	15	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	300.82 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	108.44 m³·mol⁻¹	ChemAxon
Polarizability	45.94 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	176.067	30932474
DeepCCS	[M-H]-	174.242	30932474
DeepCCS	[M-2H]-	208.08	30932474
DeepCCS	[M+Na]+	181.856	30932474
AllCCS	[M+H]+	215.1	32859911
AllCCS	[M+H-H2O]+	213.7	32859911
AllCCS	[M+NH4]+	216.4	32859911
AllCCS	[M+Na]+	216.8	32859911
AllCCS	[M-H]-	208.5	32859911
AllCCS	[M+Na-2H]-	209.5	32859911
AllCCS	[M+HCOO]-	210.7	32859911

Predicted Retention Times

Underivatized

Chromatographic Method	Retention Time	Reference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.	2.76 minutes	32390414
Predicted by Siyang on May 30, 2022	10.7305 minutes	33406817
Predicted by Siyang using ReTip algorithm on June 8, 2022	10.05 minutes	32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid	508.2 seconds	40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid	461.6 seconds	40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid	256.6 seconds	40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid	25.1 seconds	40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid	189.0 seconds	40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	79.0 seconds	40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid	350.3 seconds	40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid	288.7 seconds	40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)	967.1 seconds	40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid	598.0 seconds	40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid	74.4 seconds	40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid	728.7 seconds	40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	218.5 seconds	40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid	366.0 seconds	40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate	1002.8 seconds	40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA	546.3 seconds	40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water	619.9 seconds	40023050

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
CDP-glucose	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	4573.4	Standard polar	33892256
CDP-glucose	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	3691.7	Standard non polar	33892256
CDP-glucose	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	4943.4	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
CDP-glucose,1TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4415.4	Semi standard non polar	33892256
CDP-glucose,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4384.2	Semi standard non polar	33892256
CDP-glucose,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O	4362.3	Semi standard non polar	33892256
CDP-glucose,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	4387.3	Semi standard non polar	33892256
CDP-glucose,1TMS,isomer #5	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4413.6	Semi standard non polar	33892256
CDP-glucose,1TMS,isomer #6	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(N)=NC1=O	4407.4	Semi standard non polar	33892256
CDP-glucose,1TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4461.7	Semi standard non polar	33892256
CDP-glucose,1TMS,isomer #8	C[Si](C)(C)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	4471.9	Semi standard non polar	33892256
CDP-glucose,1TMS,isomer #9	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4510.5	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4291.5	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4268.4	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #11	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[C@@H]1CO	4239.5	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4237.1	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #13	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4322.8	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #14	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4317.3	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4402.7	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O	4228.5	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #17	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O	4239.6	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #18	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4256.8	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #19	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O	4297.2	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4302.2	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O	4288.0	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4390.5	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #22	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	4260.7	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #23	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4271.8	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #24	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	4330.9	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4319.7	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #26	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4409.6	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #27	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	4304.3	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #28	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4345.0	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #29	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4352.4	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4290.9	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #30	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4425.4	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #31	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(N)=NC1=O	4332.3	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	4339.2	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #33	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4418.5	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #34	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C	4393.0	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4470.4	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #36	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4476.5	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #37	C[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1)[Si](C)(C)C	4436.7	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4256.5	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4298.6	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4356.3	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4341.6	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #8	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4420.1	Semi standard non polar	33892256
CDP-glucose,2TMS,isomer #9	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4257.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4166.7	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4148.2	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #11	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4195.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4187.2	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #13	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4287.8	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4145.6	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #15	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4142.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4189.8	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4177.2	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4292.4	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4136.0	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4139.6	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #20	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4159.0	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #21	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4143.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #22	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4273.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4193.5	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4183.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #25	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4298.8	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4221.8	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #27	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4330.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #28	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4327.4	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4308.8	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4108.6	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4127.4	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #31	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	4094.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4086.2	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #33	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4153.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #34	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4146.6	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #35	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4271.7	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #36	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	4098.3	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #37	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4090.8	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #38	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4161.3	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #39	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	4156.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4140.7	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #40	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4278.4	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4126.2	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #42	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[C@@H]1CO	4144.3	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #43	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1CO	4132.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #44	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4265.0	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #45	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4139.7	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4126.0	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #47	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4261.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #48	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4193.5	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #49	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4324.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4186.5	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #50	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4321.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #51	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4273.2	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #52	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	4103.4	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #53	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4106.3	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #54	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O	4134.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O	4123.0	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #56	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4256.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #57	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4111.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #58	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O	4143.4	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #59	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	4133.0	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #6	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4177.0	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #60	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4264.4	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #61	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4157.3	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #62	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4145.7	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #63	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4278.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #64	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O	4170.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #65	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4313.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #66	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4308.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #67	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O	4247.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #68	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4139.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #69	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	4164.6	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #7	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4279.5	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #70	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	4152.6	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #71	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4274.6	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #72	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4161.8	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #73	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4171.5	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #74	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4282.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #75	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4199.5	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #76	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4332.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #77	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4324.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #78	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	4280.5	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #79	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	4190.3	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4145.5	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #80	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	4196.0	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #81	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	4304.2	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #82	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4221.6	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #83	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4336.8	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #84	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4338.9	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #85	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	4290.6	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #86	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	4211.0	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #87	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4329.0	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #88	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4332.2	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #89	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4294.2	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4114.5	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #90	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4373.1	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #91	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4350.4	Semi standard non polar	33892256
CDP-glucose,3TMS,isomer #92	C[Si](C)(C)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	4359.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #1	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4045.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #10	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4044.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #100	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4181.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #101	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4125.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #102	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4237.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #103	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4181.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #104	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4175.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #105	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4040.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #106	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	4061.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #107	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	4048.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #108	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	4172.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #109	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4055.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #11	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4168.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #110	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4044.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #111	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4158.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #112	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O	4067.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #113	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4199.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #114	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4191.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #115	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O	4139.3	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #116	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4059.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #117	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4067.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #118	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4163.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #119	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	4084.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #12	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4036.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #120	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4205.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #121	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4198.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #122	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O	4136.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #123	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4072.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #124	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4198.3	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #125	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4189.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #126	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4135.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #127	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4233.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #128	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O	4173.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #129	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O	4162.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #13	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4049.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #130	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4069.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #131	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	4056.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #132	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	4179.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #133	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	4070.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #134	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4205.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #135	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4195.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #136	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O[Si](C)(C)C)[C@@H]1O	4149.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #137	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4086.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #138	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4201.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #139	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4209.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #14	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4035.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #140	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	4144.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #141	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4237.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #142	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O	4185.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #143	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4175.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #144	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C	4093.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #145	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	4220.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #146	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	4224.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #147	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O[Si](C)(C)C	4181.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #148	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4247.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #149	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	4197.3	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #15	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4159.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #150	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@@H]1O	4198.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #151	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4243.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #152	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4196.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #153	C[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)O[C@H]1N1C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC1=O	4201.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #154	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C	4226.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #16	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4056.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #17	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4046.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #18	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4173.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #19	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4067.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #2	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4033.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #20	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4203.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #21	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4198.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #22	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4159.3	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #23	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4050.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #24	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4047.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #25	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4069.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #26	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4057.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #27	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4171.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #28	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4044.3	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #29	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4061.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #3	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4043.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #30	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4049.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #31	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4165.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #32	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4068.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #33	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4060.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #34	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4178.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #35	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4083.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #36	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4208.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #37	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4205.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #38	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4157.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #39	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4068.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #4	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4069.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #40	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4066.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #41	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4055.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #42	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4176.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #43	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4064.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #44	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4051.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #45	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4177.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #46	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4068.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #47	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4213.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #48	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4203.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #49	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4152.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #5	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4057.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #50	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4065.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #51	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4050.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #52	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4174.3	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #53	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4062.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #54	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4200.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #55	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4191.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #56	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4135.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #57	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4072.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #58	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4218.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #59	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4213.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #6	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	4179.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #60	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4157.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #61	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]3O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4232.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #62	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4194.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #63	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4188.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #64	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	4028.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #65	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4027.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #66	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4063.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #67	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	4054.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #68	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C=C1	4177.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #69	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4039.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #7	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4043.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #70	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	4047.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #71	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1CO	4037.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #72	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4154.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #73	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4049.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #74	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4035.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #75	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4151.3	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #76	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4069.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #77	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4202.3	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #78	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C)C=C1	4197.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #79	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4147.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #8	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4037.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #80	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4045.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #81	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	4060.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #82	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1CO	4053.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #83	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4159.6	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #84	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4050.0	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #85	C[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)O[Si](C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4061.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #86	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4156.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #87	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	4086.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #88	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4207.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #89	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C)[C@H]2O)C=C1	4202.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #9	C[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4057.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #90	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4143.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #91	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4063.1	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #92	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4050.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #93	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4169.7	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #94	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1CO	4064.8	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #95	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4195.4	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #96	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]3O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4186.2	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #97	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N([Si](C)(C)C)[Si](C)(C)C)=NC3=O)[C@H](O)[C@@H]2O)O[C@@H]1CO	4130.5	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #98	C[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4067.9	Semi standard non polar	33892256
CDP-glucose,4TMS,isomer #99	C[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O)O[Si](C)(C)C)[C@@H](O)[C@H]2O)C=C1	4191.3	Semi standard non polar	33892256
CDP-glucose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4613.2	Semi standard non polar	33892256
CDP-glucose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4589.8	Semi standard non polar	33892256
CDP-glucose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O	4568.7	Semi standard non polar	33892256
CDP-glucose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	4590.3	Semi standard non polar	33892256
CDP-glucose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4632.7	Semi standard non polar	33892256
CDP-glucose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(N)=NC1=O	4629.3	Semi standard non polar	33892256
CDP-glucose,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4685.0	Semi standard non polar	33892256
CDP-glucose,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	4694.2	Semi standard non polar	33892256
CDP-glucose,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4767.2	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4656.2	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4635.6	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[C@@H]1CO	4590.7	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4580.5	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4669.4	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4665.7	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4776.5	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@@H]1O	4613.3	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	4613.4	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4603.1	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@@H]1O	4652.8	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4660.3	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	4644.4	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4765.8	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4631.5	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4632.3	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O	4672.2	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4663.1	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C1	4776.8	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O[Si](C)(C)C(C)(C)C	4671.3	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4705.7	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C(C)(C)C)O[C@@H](N2C=CC(N)=NC2=O)[C@@H]1O	4710.8	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4635.1	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)C=C1	4818.3	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1N1C=CC(N)=NC1=O	4704.1	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #32	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C(C)(C)C)O[C@H]1N1C=CC(N)=NC1=O	4707.9	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)C=C1	4817.3	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O)OP(=O)(O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[Si](C)(C)C(C)(C)C	4742.3	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4869.7	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]2O)C=C1	4873.9	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N(C1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1)[Si](C)(C)C(C)(C)C	4790.9	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4611.4	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4630.9	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O[Si](C)(C)C(C)(C)C)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4698.4	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](OP(=O)(O)OP(=O)(OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4690.1	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C=C1	4786.3	Semi standard non polar	33892256
CDP-glucose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(N)=NC3=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4633.6	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (Non-derivatized) - 70eV, Positive	splash10-055b-4932470000-cc78435fdf80ab84337a	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (1 TMS) - 70eV, Positive	splash10-0uk9-4941706000-2564988c7dc10b34ba16	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS ("CDP-glucose,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - CDP-glucose GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 10V, Positive-QTOF	splash10-03di-0901110000-13d2effadf491f35035a	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 20V, Positive-QTOF	splash10-03di-2910000000-ed5b462d0c312d6a5bdb	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 40V, Positive-QTOF	splash10-03di-4900000000-90a7ac808c5d4858589b	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 10V, Negative-QTOF	splash10-08fr-0901160000-e111a674ae2d2089a641	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 20V, Negative-QTOF	splash10-03di-7906020000-e0153c693f7146c10732	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 40V, Negative-QTOF	splash10-0bvl-4900000000-8c5119b6eaadc19d832e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 10V, Positive-QTOF	splash10-03di-0900040000-3c275dd6786692e75a8c	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 20V, Positive-QTOF	splash10-01p9-1621930000-bee26ae88105c78462e4	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 40V, Positive-QTOF	splash10-03di-3981100000-b03d0b63bd4aa6c9d3b7	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 10V, Negative-QTOF	splash10-03di-0000090000-769bfaf73b856e460e16	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 20V, Negative-QTOF	splash10-03xr-2200950000-004d310719ae6596dd7e	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - CDP-glucose 40V, Negative-QTOF	splash10-0563-6928110000-8bd90dbd63502af05e8a	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm (predicted from logP)

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Cytidine diphosphate glucose

METLIN ID

6907

PubChem Compound

439244

PDB ID

Not Available

ChEBI ID

28942

Food Biomarker Ontology

Not Available

VMH ID

CDPGLC

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Ginsburg, Victor; O'Brien, Paul J.; Hall, Clara W. Enzymic synthesis of cytidine 5'-diphosphate glucose. Biocherns Biophys. Res. Communs. (1962), 7 1-4.

Material Safety Data Sheet (MSDS)

Not Available

General References

Chandra GR, Mandava N, Warthen JD Jr: Uridine diphosphate glucose:fatty acid glucosyl transferase activity of rape (Brassica napus L.) anther tissue. Biochim Biophys Acta. 1978 Oct 12;526(2):387-97. [PubMed:718943 ]
Wojciechowski ZA, Zimowski J, Zimowski JG, Lyznik A: Specificity of sterol-glucosylating enzymes from Sinapis alba and Physarum polycephalum. Biochim Biophys Acta. 1979 Oct 11;570(2):363-70. [PubMed:497231 ]
Mookerjea S: Effect of nucleotides on UDP-N-acetylglucosamine pyrophosphatase and N-acetylglucosaminyltransferase activities in microsomal membranes. Can J Biochem. 1979 Jun;57(6):557-65. [PubMed:476505 ]

Showing metabocard for CDP-glucose (HMDB0003369)

MOL for HMDB0003369 (CDP-glucose)

3D MOL for HMDB0003369 (CDP-glucose)

3D SDF for HMDB0003369 (CDP-glucose)

3D-SDF for HMDB0003369 (CDP-glucose)

PDB for HMDB0003369 (CDP-glucose)

3D PDB for HMDB0003369 (CDP-glucose)

SMILES for HMDB0003369 (CDP-glucose)

INCHI for HMDB0003369 (CDP-glucose)

Structure for HMDB0003369 (CDP-glucose)

3D Structure for HMDB0003369 (CDP-glucose)

Predicted Collision Cross Sections

Predicted Retention Times

Underivatized

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra