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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2007-05-23 15:45:00 UTC

Update Date

2022-03-07 02:49:32 UTC

HMDB ID

HMDB0006557

Secondary Accession Numbers

HMDB0012186
HMDB0062621
HMDB06557
HMDB12186
HMDB62621

Metabolite Identification

Common Name

ADP-glucose

Description

ADP-glucose, also known as ADPG or ADP-a-D-glucose, belongs to the class of organic compounds known as purine nucleotide sugars. These are purine nucleotides bound to a saccharide derivative through the terminal phosphate group. ADP-glucose exists in all living organisms, ranging from bacteria to humans. In humans, ADP-glucose is involved in the ticlopidine metabolism pathway. ADP-glucose has been detected, but not quantified in, several different foods, such as half-highbush blueberries (Vaccinium angustifolium X Vaccinium corymbosum), radishes (Raphanus sativus), lemon grasses (Cymbopogon citratus), figs (Ficus carica), and nectarines (Prunus persica var. nucipersica). This could make ADP-glucose a potential biomarker for the consumption of these foods. ADP-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 ADP-glucose.

Structure

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


  Mrv1652309042000322D          

 38 41  0  0  0  0            999 V2000
 9997.1051 9997.8355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8943 9997.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.4041 9999.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.1183 9999.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.8319 9999.6859    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10001.7455 9999.1639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.6591 9999.6880    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.3727 9999.2786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.799910001.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.513510002.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.7999 9998.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.2312 9999.2786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.231210000.9272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.244610000.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.069510000.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.419410000.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.244310000.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.801310000.9262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.086810000.5137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.0868 9999.6886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.8013 9999.2762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10005.5158 9999.6886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10005.515810000.5137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.0178 9999.7683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6053 9998.4987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.4303 9998.4987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.6852 9999.2833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.3315 9999.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.5246 9999.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2696 9999.0123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8216 9998.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.6286 9998.5707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.8835 9999.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.6372 9999.6909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.551010000.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.744110000.6829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9993.972510000.4101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3516 9999.2783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  9 10  1  0  0  0  0
 18 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  8  1  1  0  0  0
 18  9  1  6  0  0  0
 23 13  1  1  0  0  0
 22 12  1  6  0  0  0
 21 11  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 25  1  1  1  0  0  0
 27  3  1  6  0  0  0
 26  2  1  1  0  0  0
 28 29  2  0  0  0  0
 33 28  1  0  0  0  0
 35 36  2  0  0  0  0
 28 36  1  0  0  0  0
 34 35  1  0  0  0  0
 33 34  1  0  0  0  0
 29 37  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 38 34  1  6  0  0  0
 38 25  1  0  0  0  0
 24 38  1  0  0  0  0
M  END

HMDB0006557
     RDKit          3D
ADP-glucose
 63 66  0  0  0  0  0  0  0  0999 V2000
  -10.0029    0.5276   -1.7002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9908   -0.1381   -0.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3032   -0.9835   -0.0061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3336   -1.5796    0.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -1.3358    0.5414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6955   -0.4977   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6602    0.1071   -1.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0079    0.9003   -2.0866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6814    0.8034   -1.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4579   -0.0611   -0.8193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347   -0.2540   -0.1994 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2635   -1.1651   -0.4832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052   -0.6529    0.4176 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9267   -1.1074    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4524   -0.8269   -0.9790 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522    0.7189   -1.0540 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.8213    1.4495   -2.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1850    1.5774    0.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436    0.7716   -1.8077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344    1.5765   -0.7600 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9639    2.6350   -0.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918    2.2680   -1.6061 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3371    0.4302    0.3384 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    0.1410    0.0289 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4093    0.3662    1.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7617    0.4583    0.8871 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1493    1.8057    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5248    1.7365    0.0368 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2160   -0.6084   -0.0646 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4050   -1.1406    0.4790 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2521   -1.7596   -0.2097 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5625   -2.4198   -1.3987 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8066   -1.3195   -0.3015 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0850   -2.0376    0.6496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9701   -0.6590    1.7425 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6950    0.4757    2.5161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4480   -0.5791    1.3153 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0652    0.5199    1.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5442    0.2054   -2.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2385    1.5066   -1.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6704   -2.2547    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9220    1.3147   -2.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6799    0.7585   -0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3121    0.4837    0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -0.6791    1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -2.2269    0.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    1.1748    1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7849    3.2097   -1.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9511    0.7822   -0.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2838    0.3877    1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0342    2.5968    1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6386    2.0480   -0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7147    2.3562   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4869   -0.2224   -1.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7612   -1.8207   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4046   -2.4789    0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3228   -3.3669   -1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3832   -1.5015   -1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5511   -1.8407    1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663   -1.5736    2.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6607    1.2486    1.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8695   -1.5578    1.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9927    1.3073    1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 13 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  7  2  1  0
 37 11  1  0
 10  6  1  0
 33 24  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  9 42  1  0
 11 43  1  1
 13 44  1  6
 14 45  1  0
 14 46  1  0
 18 47  1  0
 22 48  1  0
 24 49  1  6
 26 50  1  1
 27 51  1  0
 27 52  1  0
 28 53  1  0
 29 54  1  6
 30 55  1  0
 31 56  1  1
 32 57  1  0
 33 58  1  6
 34 59  1  0
 35 60  1  1
 36 61  1  0
 37 62  1  6
 38 63  1  0
M  END


  Mrv1652309042000322D          

 38 41  0  0  0  0            999 V2000
 9997.1051 9997.8355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.8943 9997.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.4041 9999.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.1183 9999.2745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.8319 9999.6859    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10001.7455 9999.1639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.6591 9999.6880    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10003.3727 9999.2786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.799910001.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.513510002.1626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.7999 9998.4536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.2312 9999.2786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10006.231210000.9272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.244610000.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.069510000.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.419410000.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.244310000.4013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.801310000.9262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.086810000.5137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.0868 9999.6886    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10004.8013 9999.2762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10005.5158 9999.6886    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
10005.515810000.5137    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.0178 9999.7683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.6053 9998.4987    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
 9998.4303 9998.4987    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.6852 9999.2833    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9995.3315 9999.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.5246 9999.7970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9994.2696 9999.0123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9994.8216 9998.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.6286 9998.5707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9995.8835 9999.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9996.6372 9999.6909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9996.551010000.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9995.744110000.6829    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9993.972510000.4101    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.3516 9999.2783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  7 15  1  0  0  0  0
  9 10  1  0  0  0  0
 18 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  8  1  1  0  0  0
 18  9  1  6  0  0  0
 23 13  1  1  0  0  0
 22 12  1  6  0  0  0
 21 11  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 24 27  1  0  0  0  0
 25  1  1  1  0  0  0
 27  3  1  6  0  0  0
 26  2  1  1  0  0  0
 28 29  2  0  0  0  0
 33 28  1  0  0  0  0
 35 36  2  0  0  0  0
 28 36  1  0  0  0  0
 34 35  1  0  0  0  0
 33 34  1  0  0  0  0
 29 37  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 38 34  1  6  0  0  0
 38 25  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006557

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1

> <INCHI_KEY>
WFPZSXYXPSUOPY-ROYWQJLOSA-N

> <FORMULA>
C16H25N5O15P2

> <MOLECULAR_WEIGHT>
589.3417

> <EXACT_MASS>
589.082238179

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
48.68525373620978

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid

> <ALOGPS_LOGP>
-1.76

> <JCHEM_LOGP>
-6.7725679530330645

> <ALOGPS_LOGS>
-2.09

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.107282857130618

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7298676687415737

> <JCHEM_PKA_STRONGEST_BASIC>
3.9931246302818533

> <JCHEM_POLAR_SURFACE_AREA>
311.74999999999994

> <JCHEM_REFRACTIVITY>
117.08579999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.84e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adp glucose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006557
     RDKit          3D
ADP-glucose
 63 66  0  0  0  0  0  0  0  0999 V2000
  -10.0029    0.5276   -1.7002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9908   -0.1381   -0.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3032   -0.9835   -0.0061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3336   -1.5796    0.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -1.3358    0.5414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6955   -0.4977   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6602    0.1071   -1.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0079    0.9003   -2.0866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6814    0.8034   -1.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4579   -0.0611   -0.8193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347   -0.2540   -0.1994 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2635   -1.1651   -0.4832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052   -0.6529    0.4176 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9267   -1.1074    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4524   -0.8269   -0.9790 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522    0.7189   -1.0540 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.8213    1.4495   -2.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1850    1.5774    0.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436    0.7716   -1.8077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344    1.5765   -0.7600 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9639    2.6350   -0.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918    2.2680   -1.6061 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3371    0.4302    0.3384 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    0.1410    0.0289 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4093    0.3662    1.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7617    0.4583    0.8871 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1493    1.8057    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5248    1.7365    0.0368 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2160   -0.6084   -0.0646 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4050   -1.1406    0.4790 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2521   -1.7596   -0.2097 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5625   -2.4198   -1.3987 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8066   -1.3195   -0.3015 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0850   -2.0376    0.6496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9701   -0.6590    1.7425 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6950    0.4757    2.5161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4480   -0.5791    1.3153 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0652    0.5199    1.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5442    0.2054   -2.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2385    1.5066   -1.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6704   -2.2547    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9220    1.3147   -2.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6799    0.7585   -0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3121    0.4837    0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -0.6791    1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -2.2269    0.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    1.1748    1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7849    3.2097   -1.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9511    0.7822   -0.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2838    0.3877    1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0342    2.5968    1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6386    2.0480   -0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7147    2.3562   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4869   -0.2224   -1.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7612   -1.8207   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4046   -2.4789    0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3228   -3.3669   -1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3832   -1.5015   -1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5511   -1.8407    1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663   -1.5736    2.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6607    1.2486    1.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8695   -1.5578    1.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9927    1.3073    1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 13 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  7  2  1  0
 37 11  1  0
 10  6  1  0
 33 24  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  9 42  1  0
 11 43  1  1
 13 44  1  6
 14 45  1  0
 14 46  1  0
 18 47  1  0
 22 48  1  0
 24 49  1  6
 26 50  1  1
 27 51  1  0
 27 52  1  0
 28 53  1  0
 29 54  1  6
 30 55  1  0
 31 56  1  1
 32 57  1  0
 33 58  1  6
 34 59  1  0
 35 60  1  1
 36 61  1  0
 37 62  1  6
 38 63  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  O   UNK     0    8661.2638662.626   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8664.6038662.611   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0    8665.5548666.080   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8666.8878665.312   0.000  0.00  0.00           O+0
HETATM    5  P   UNK     0    8668.2208666.080   0.000  0.00  0.00           P+0
HETATM    6  O   UNK     0    8669.9258665.106   0.000  0.00  0.00           O+0
HETATM    7  P   UNK     0    8671.6308666.084   0.000  0.00  0.00           P+0
HETATM    8  O   UNK     0    8672.9628665.320   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0    8675.6268669.937   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0    8676.9598670.704   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0    8675.6268663.780   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0    8678.2988665.320   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0    8678.2988668.397   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0    8670.8578667.424   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0    8672.3968667.424   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0    8667.4508667.416   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0    8668.9898667.416   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0    8675.6298668.396   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0    8674.2958667.626   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0    8674.2958666.085   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8675.6298665.316   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8676.9638666.085   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0    8676.9638667.626   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0    8662.9678666.234   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0    8662.1978663.864   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0    8663.7378663.864   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0    8664.2128665.329   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0    8657.9528666.608   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0    8656.4468666.288   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0    8655.9708664.823   0.000  0.00  0.00           N+0
HETATM   31  C   UNK     0    8657.0008663.679   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0    8658.5078663.999   0.000  0.00  0.00           N+0
HETATM   33  C   UNK     0    8658.9838665.463   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0    8660.3898666.090   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0    8660.2298667.621   0.000  0.00  0.00           C+0
HETATM   36  N   UNK     0    8658.7228667.941   0.000  0.00  0.00           N+0
HETATM   37  N   UNK     0    8655.4158667.432   0.000  0.00  0.00           N+0
HETATM   38  C   UNK     0    8661.7238665.319   0.000  0.00  0.00           C+0
CONECT    1   25                                                            
CONECT    2   26                                                            
CONECT    3    4   27                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   16   17                                             
CONECT    6    5    7                                                       
CONECT    7    6    8   14   15                                             
CONECT    8    7   20                                                       
CONECT    9   10   18                                                       
CONECT   10    9                                                            
CONECT   11   21                                                            
CONECT   12   22                                                            
CONECT   13   23                                                            
CONECT   14    7                                                            
CONECT   15    7                                                            
CONECT   16    5                                                            
CONECT   17    5                                                            
CONECT   18   23   19    9                                                  
CONECT   19   18   20                                                       
CONECT   20   21   19    8                                                  
CONECT   21   20   22   11                                                  
CONECT   22   21   23   12                                                  
CONECT   23   18   22   13                                                  
CONECT   24   27   38                                                       
CONECT   25   26    1   38                                                  
CONECT   26   25   27    2                                                  
CONECT   27   26   24    3                                                  
CONECT   28   29   33   36                                                  
CONECT   29   28   37   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   28   34   32                                                  
CONECT   34   35   33   38                                                  
CONECT   35   36   34                                                       
CONECT   36   35   28                                                       
CONECT   37   29                                                            
CONECT   38   34   25   24                                                  
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

COMPND    HMDB0006557
HETATM    1  N1  UNL     1     -10.003   0.528  -1.700  1.00  0.00           N  
HETATM    2  C1  UNL     1      -8.991  -0.138  -0.987  1.00  0.00           C  
HETATM    3  N2  UNL     1      -9.303  -0.984  -0.006  1.00  0.00           N  
HETATM    4  C2  UNL     1      -8.334  -1.580   0.753  1.00  0.00           C  
HETATM    5  N3  UNL     1      -7.021  -1.336   0.541  1.00  0.00           N  
HETATM    6  C3  UNL     1      -6.695  -0.498  -0.442  1.00  0.00           C  
HETATM    7  C4  UNL     1      -7.660   0.107  -1.216  1.00  0.00           C  
HETATM    8  N4  UNL     1      -7.008   0.900  -2.087  1.00  0.00           N  
HETATM    9  C5  UNL     1      -5.681   0.803  -1.851  1.00  0.00           C  
HETATM   10  N5  UNL     1      -5.458  -0.061  -0.819  1.00  0.00           N  
HETATM   11  C6  UNL     1      -4.235  -0.254  -0.199  1.00  0.00           C  
HETATM   12  O1  UNL     1      -3.263  -1.165  -0.483  1.00  0.00           O  
HETATM   13  C7  UNL     1      -2.305  -0.653   0.418  1.00  0.00           C  
HETATM   14  C8  UNL     1      -0.927  -1.107   0.344  1.00  0.00           C  
HETATM   15  O2  UNL     1      -0.452  -0.827  -0.979  1.00  0.00           O  
HETATM   16  P1  UNL     1       0.152   0.719  -1.054  1.00  0.00           P  
HETATM   17  O3  UNL     1      -0.821   1.449  -2.071  1.00  0.00           O  
HETATM   18  O4  UNL     1       0.185   1.577   0.362  1.00  0.00           O  
HETATM   19  O5  UNL     1       1.644   0.772  -1.808  1.00  0.00           O  
HETATM   20  P2  UNL     1       2.734   1.577  -0.760  1.00  0.00           P  
HETATM   21  O6  UNL     1       1.964   2.635  -0.028  1.00  0.00           O  
HETATM   22  O7  UNL     1       3.992   2.268  -1.606  1.00  0.00           O  
HETATM   23  O8  UNL     1       3.337   0.430   0.338  1.00  0.00           O  
HETATM   24  C9  UNL     1       4.661   0.141   0.029  1.00  0.00           C  
HETATM   25  O9  UNL     1       5.409   0.366   1.178  1.00  0.00           O  
HETATM   26  C10 UNL     1       6.762   0.458   0.887  1.00  0.00           C  
HETATM   27  C11 UNL     1       7.149   1.806   0.297  1.00  0.00           C  
HETATM   28  O10 UNL     1       8.525   1.737   0.037  1.00  0.00           O  
HETATM   29  C12 UNL     1       7.216  -0.608  -0.065  1.00  0.00           C  
HETATM   30  O11 UNL     1       8.405  -1.141   0.479  1.00  0.00           O  
HETATM   31  C13 UNL     1       6.252  -1.760  -0.210  1.00  0.00           C  
HETATM   32  O12 UNL     1       6.563  -2.420  -1.399  1.00  0.00           O  
HETATM   33  C14 UNL     1       4.807  -1.320  -0.302  1.00  0.00           C  
HETATM   34  O13 UNL     1       4.085  -2.038   0.650  1.00  0.00           O  
HETATM   35  C15 UNL     1      -2.970  -0.659   1.743  1.00  0.00           C  
HETATM   36  O14 UNL     1      -2.695   0.476   2.516  1.00  0.00           O  
HETATM   37  C16 UNL     1      -4.448  -0.579   1.315  1.00  0.00           C  
HETATM   38  O15 UNL     1      -5.065   0.520   1.836  1.00  0.00           O  
HETATM   39  H1  UNL     1     -10.544   0.205  -2.498  1.00  0.00           H  
HETATM   40  H2  UNL     1     -10.238   1.507  -1.330  1.00  0.00           H  
HETATM   41  H3  UNL     1      -8.670  -2.255   1.508  1.00  0.00           H  
HETATM   42  H4  UNL     1      -4.922   1.315  -2.416  1.00  0.00           H  
HETATM   43  H5  UNL     1      -3.680   0.759  -0.099  1.00  0.00           H  
HETATM   44  H6  UNL     1      -2.312   0.484   0.147  1.00  0.00           H  
HETATM   45  H7  UNL     1      -0.262  -0.679   1.064  1.00  0.00           H  
HETATM   46  H8  UNL     1      -0.897  -2.227   0.484  1.00  0.00           H  
HETATM   47  H9  UNL     1      -0.007   1.175   1.187  1.00  0.00           H  
HETATM   48  H10 UNL     1       3.785   3.210  -1.873  1.00  0.00           H  
HETATM   49  H11 UNL     1       4.951   0.782  -0.827  1.00  0.00           H  
HETATM   50  H12 UNL     1       7.284   0.388   1.856  1.00  0.00           H  
HETATM   51  H13 UNL     1       7.034   2.597   1.072  1.00  0.00           H  
HETATM   52  H14 UNL     1       6.639   2.048  -0.638  1.00  0.00           H  
HETATM   53  H15 UNL     1       8.715   2.356  -0.719  1.00  0.00           H  
HETATM   54  H16 UNL     1       7.487  -0.222  -1.073  1.00  0.00           H  
HETATM   55  H17 UNL     1       8.761  -1.821  -0.111  1.00  0.00           H  
HETATM   56  H18 UNL     1       6.405  -2.479   0.622  1.00  0.00           H  
HETATM   57  H19 UNL     1       6.323  -3.367  -1.354  1.00  0.00           H  
HETATM   58  H20 UNL     1       4.383  -1.501  -1.313  1.00  0.00           H  
HETATM   59  H21 UNL     1       4.551  -1.841   1.523  1.00  0.00           H  
HETATM   60  H22 UNL     1      -2.766  -1.574   2.339  1.00  0.00           H  
HETATM   61  H23 UNL     1      -2.661   1.249   1.870  1.00  0.00           H  
HETATM   62  H24 UNL     1      -4.869  -1.558   1.474  1.00  0.00           H  
HETATM   63  H25 UNL     1      -4.993   1.307   1.199  1.00  0.00           H  
CONECT    1    2   39   40
CONECT    2    3    3    7
CONECT    3    4
CONECT    4    5    5   41
CONECT    5    6
CONECT    6    7    7   10
CONECT    7    8
CONECT    8    9    9
CONECT    9   10   42
CONECT   10   11
CONECT   11   12   37   43
CONECT   12   13
CONECT   13   14   35   44
CONECT   14   15   45   46
CONECT   15   16
CONECT   16   17   17   18   19
CONECT   18   47
CONECT   19   20
CONECT   20   21   21   22   23
CONECT   22   48
CONECT   23   24
CONECT   24   25   33   49
CONECT   25   26
CONECT   26   27   29   50
CONECT   27   28   51   52
CONECT   28   53
CONECT   29   30   31   54
CONECT   30   55
CONECT   31   32   33   56
CONECT   32   57
CONECT   33   34   58
CONECT   34   59
CONECT   35   36   37   60
CONECT   36   61
CONECT   37   38   62
CONECT   38   63
END

HMDB0006557
     RDKit          3D
ADP-glucose
 63 66  0  0  0  0  0  0  0  0999 V2000
  -10.0029    0.5276   -1.7002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9908   -0.1381   -0.9869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3032   -0.9835   -0.0061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3336   -1.5796    0.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0205   -1.3358    0.5414 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6955   -0.4977   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6602    0.1071   -1.2156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0079    0.9003   -2.0866 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6814    0.8034   -1.8515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4579   -0.0611   -0.8193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347   -0.2540   -0.1994 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.2635   -1.1651   -0.4832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052   -0.6529    0.4176 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9267   -1.1074    0.3442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4524   -0.8269   -0.9790 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522    0.7189   -1.0540 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.8213    1.4495   -2.0709 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1850    1.5774    0.3624 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436    0.7716   -1.8077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7344    1.5765   -0.7600 P   0  0  0  0  0  5  0  0  0  0  0  0
    1.9639    2.6350   -0.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918    2.2680   -1.6061 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3371    0.4302    0.3384 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6610    0.1410    0.0289 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4093    0.3662    1.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7617    0.4583    0.8871 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1493    1.8057    0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5248    1.7365    0.0368 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2160   -0.6084   -0.0646 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4050   -1.1406    0.4790 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2521   -1.7596   -0.2097 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5625   -2.4198   -1.3987 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8066   -1.3195   -0.3015 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0850   -2.0376    0.6496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9701   -0.6590    1.7425 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6950    0.4757    2.5161 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4480   -0.5791    1.3153 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0652    0.5199    1.8360 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5442    0.2054   -2.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2385    1.5066   -1.3305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6704   -2.2547    1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9220    1.3147   -2.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6799    0.7585   -0.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3121    0.4837    0.1468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2621   -0.6791    1.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -2.2269    0.4843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0069    1.1748    1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7849    3.2097   -1.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9511    0.7822   -0.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2838    0.3877    1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0342    2.5968    1.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6386    2.0480   -0.6384 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7147    2.3562   -0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4869   -0.2224   -1.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7612   -1.8207   -0.1113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4046   -2.4789    0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3228   -3.3669   -1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3832   -1.5015   -1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5511   -1.8407    1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7663   -1.5736    2.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6607    1.2486    1.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8695   -1.5578    1.4740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9927    1.3073    1.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 13 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
  7  2  1  0
 37 11  1  0
 10  6  1  0
 33 24  1  0
  1 39  1  0
  1 40  1  0
  4 41  1  0
  9 42  1  0
 11 43  1  1
 13 44  1  6
 14 45  1  0
 14 46  1  0
 18 47  1  0
 22 48  1  0
 24 49  1  6
 26 50  1  1
 27 51  1  0
 27 52  1  0
 28 53  1  0
 29 54  1  6
 30 55  1  0
 31 56  1  1
 32 57  1  0
 33 58  1  6
 34 59  1  0
 35 60  1  1
 36 61  1  0
 37 62  1  6
 38 63  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Adenosine diphosphate glucose	ChEBI
Adenosine diphosphoglucose	ChEBI
Adenosine pyrophosphateglucose	ChEBI
ADPG	ChEBI
ADPglucose	ChEBI
ADP-alpha-D-Glucose	Kegg
Adenosine diphosphoric acid glucose	Generator
ADP-a-D-Glucose	Generator
ADP-Α-D-glucose	Generator
Adenosine 5'-(trihydrogen diphosphate) glucopyranosyl ester	HMDB
Adenosine 5'-(trihydrogen diphosphate) p'-alpha-delta-glucopyranosyl ester	HMDB
Adenosine 5'-(trihydrogen pyrophosphate) mono-D-glucosyl ester	HMDB
Adenosine 5'-(trihydrogen pyrophosphate) mono-delta-glucosyl ester	HMDB
Adenosine 5'-diphosphoglucose	HMDB
Adenosine 5'-pyrophosphate a-delta-glucosyl ester	HMDB
Adenosine 5'-pyrophosphate alpha-D-glucosyl ester	HMDB
Adenosine 5'-pyrophosphate alpha-delta-glucosyl ester	HMDB
Adenosine 5'-pyrophosphate glucosyl ester	HMDB
Adenosine 5'-pyrophosphate mono-D-glucosyl ester	HMDB
Adenosine 5'-pyrophosphate mono-delta-glucosyl ester	HMDB
Adenosine diphosphate D-glucose	HMDB
Adenosine pyrophosphate-glucose	HMDB
Adenosine-5'-diphosphate-glucose	HMDB
ADP-D-Glucose	HMDB
ADP Glucose	HMDB
Diphosphate glucose, adenosine	HMDB
Diphosphoglucose, adenosine	HMDB
Glucose, ADP	HMDB
Glucose, adenosine diphosphate	HMDB
Pyrophosphateglucose, adenosine	HMDB
Adenosine 5'-(trihydrogen pyrophosphate) mono-alpha-D-glucosyl ester	HMDB
Adenosine 5'-(trihydrogen pyrophosphate) mono-α-D-glucosyl ester	HMDB
Adenosine 5’-(trihydrogen pyrophosphate) mono-D-glucosyl ester	HMDB
Adenosine 5’-(trihydrogen pyrophosphate) mono-α-D-glucosyl ester	HMDB
Adenosine 5’-diphosphoglucose	HMDB
Adenosine 5’-pyrophosphate mono-D-glucosyl ester	HMDB
ADP-Glucose	HMDB

Chemical Formula

C₁₆H₂₅N₅O₁₅P₂

Average Molecular Weight

589.3417

Monoisotopic Molecular Weight

589.082238179

IUPAC Name

[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid

Traditional Name

adp glucose

CAS Registry Number

2140-58-1

SMILES

NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1

InChI Identifier

InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1

InChI Key

WFPZSXYXPSUOPY-ROYWQJLOSA-N

Chemical Taxonomy

Description

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

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine nucleotide sugars

Direct Parent

Purine nucleotide sugars

Alternative Parents

Substituents

Purine nucleotide sugar
Purine ribonucleoside diphosphate
Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-aminopurine
Monosaccharide phosphate
Organic pyrophosphate
Imidazopyrimidine
Purine
Aminopyrimidine
Monoalkyl phosphate
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Imidolactam
Alkyl phosphate
Pyrimidine
Tetrahydrofuran
Azole
Imidazole
Heteroaromatic compound
Secondary alcohol
Organoheterocyclic compound
Azacycle
Polyol
Oxacycle
Organic oxide
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Amine
Organonitrogen compound
Primary alcohol
Primary amine
Organooxygen compound
Organopnictogen compound
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

alpha-D-glucoside (CHEBI:15751 )
ADP-aldose (CHEBI:15751 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0006557)

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
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)

Equine

Horse (FooDB: FOOD00378)

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)

Herb and spice mixture

Curry powder (FooDB: FOOD00678)

Vegetable

Cabbage

Onion-family vegetable

Root vegetable

Shoot vegetable

Leaf vegetable

Common beet (FooDB: FOOD00025)
Endive (FooDB: FOOD00048)
Rocket salad (ssp.) (FooDB: FOOD00077)
Swamp cabbage (FooDB: FOOD00091)
Lettuce (FooDB: FOOD00095)
Garden cress (FooDB: FOOD00099)
Spinach (FooDB: FOOD00178)
Swiss chard (FooDB: FOOD00237)
Chicory leaves (FooDB: FOOD00250)
Garland chrysanthemum (FooDB: FOOD00333)
Corn salad (FooDB: FOOD00340)
Jute (FooDB: FOOD00389)
Lambsquarters (FooDB: FOOD00394)
Malabar spinach (FooDB: FOOD00404)
New Zealand spinach (FooDB: FOOD00415)
Yautia (FooDB: FOOD00510)
Ostrich fern (FooDB: FOOD00556)
Romaine lettuce (FooDB: FOOD00888)
Iceberg lettuce (FooDB: FOOD00973)
Pea shoots (FooDB: FOOD00975)
Yau choy (FooDB: FOOD00976)
Water spinach (FooDB: FOOD00977)

Fruit vegetable

Pepper (FooDB: FOOD00040)
Olive (FooDB: FOOD00121)
Avocado (FooDB: FOOD00130)
Garden tomato (FooDB: FOOD00171)
Cherry tomato (FooDB: FOOD00172)
Garden tomato (var.) (FooDB: FOOD00173)
Eggplant (FooDB: FOOD00174)
Pepper (C. baccatum) (FooDB: FOOD00231)
Pepper (C. chinense) (FooDB: FOOD00232)
Pepper (Capsicum) (FooDB: FOOD00233)
Groundcherry (FooDB: FOOD00371)
Pepper (C. frutescens) (FooDB: FOOD00428)
Mexican groundcherry (FooDB: FOOD00491)
Pepper (C. pubescens) (FooDB: FOOD00849)
Green bell pepper (FooDB: FOOD00877)
Yellow bell pepper (FooDB: FOOD00878)
Orange bell pepper (FooDB: FOOD00879)
Red bell pepper (FooDB: FOOD00880)
Italian sweet red pepper (FooDB: FOOD00881)
Jalapeno pepper (FooDB: FOOD00955)
Cubanelle pepper (FooDB: FOOD00971)

Tuber

Stalk vegetable

Other vegetable

Giant butterbur (FooDB: FOOD00314)
Carob (FooDB: FOOD00321)
Chinese water chestnut (FooDB: FOOD00332)
Horseradish tree (FooDB: FOOD00379)
Sacred lotus (FooDB: FOOD00402)
Nopal (FooDB: FOOD00416)
Okra (FooDB: FOOD00420)
Sesbania flower (FooDB: FOOD00469)
Agave (FooDB: FOOD00563)
Narrowleaf cattail (FooDB: FOOD00564)
Heart of palm (FooDB: FOOD00718)
Tree fern (FooDB: FOOD00797)

Mushroom

Castanospermum australe (FooDB: FOOD00893)
Gentiana lutea (FooDB: FOOD00894)
Juniperus communis (FooDB: FOOD00895)
Albizia gummifera (FooDB: FOOD00896)

Fruit

Tropical fruit

Citrus

Lime (FooDB: FOOD00053)
Lemon (FooDB: FOOD00054)
Pummelo (FooDB: FOOD00055)
Mandarin orange (Clementine, Tangerine) (FooDB: FOOD00056)
Sweet orange (FooDB: FOOD00057)
Grapefruit/Pummelo hybrid (FooDB: FOOD00255)
Grapefruit (FooDB: FOOD00256)
Persian lime (FooDB: FOOD00543)
Sour orange (FooDB: FOOD00918)
Mikan (FooDB: FOOD00932)
Clementine (FooDB: FOOD00959)

Pome

Berry

Black crowberry (FooDB: FOOD00075)
Strawberry (FooDB: FOOD00083)
Black huckleberry (FooDB: FOOD00084)
Sea-buckthornberry (FooDB: FOOD00087)
Mulberry (FooDB: FOOD00116)
Black mulberry (FooDB: FOOD00117)
Black chokeberry (FooDB: FOOD00136)
Blackcurrant (FooDB: FOOD00155)
Redcurrant (FooDB: FOOD00156)
Gooseberry (FooDB: FOOD00157)
Cloudberry (FooDB: FOOD00161)
Red raspberry (FooDB: FOOD00162)
Black raspberry (FooDB: FOOD00163)
Black elderberry (FooDB: FOOD00166)
Rowanberry (FooDB: FOOD00176)
Vaccinium (Blueberry, Cranberry, Huckleberry) (FooDB: FOOD00188)
Lowbush blueberry (FooDB: FOOD00189)
Sparkleberry (FooDB: FOOD00190)
Highbush blueberry (FooDB: FOOD00191)
American cranberry (FooDB: FOOD00192)
Bilberry (FooDB: FOOD00193)
Lingonberry (FooDB: FOOD00194)
Muscadine grape (FooDB: FOOD00203)
Common grape (FooDB: FOOD00204)
Arctic blackberry (FooDB: FOOD00207)
Bayberry (FooDB: FOOD00209)
Elliott's blueberry (FooDB: FOOD00210)
Canada blueberry (FooDB: FOOD00211)
Bog bilberry (FooDB: FOOD00212)
Buffalo currant (FooDB: FOOD00213)
European cranberry (FooDB: FOOD00217)
Deerberry (FooDB: FOOD00218)
Cascade huckleberry (FooDB: FOOD00220)
Oval-leaf huckleberry (FooDB: FOOD00221)
Evergreen huckleberry (FooDB: FOOD00222)
Red huckleberry (FooDB: FOOD00223)
Summer grape (FooDB: FOOD00227)
Fox grape (FooDB: FOOD00228)
Half-highbush blueberry (FooDB: FOOD00248)
Jostaberry (FooDB: FOOD00257)
Sweet rowanberry (FooDB: FOOD00265)
Skunk currant (FooDB: FOOD00267)
Squashberry (FooDB: FOOD00344)
Elderberry (FooDB: FOOD00358)
Grape (FooDB: FOOD00369)
Alaska blueberry (FooDB: FOOD00380)
Loganberry (FooDB: FOOD00400)
Ohelo berry (FooDB: FOOD00419)
Salmonberry (FooDB: FOOD00456)
Strawberry guava (FooDB: FOOD00482)
Boysenberry (FooDB: FOOD00542)
Chinese bayberry (FooDB: FOOD00852)
Saskatoon berry (FooDB: FOOD00884)
Nanking cherry (FooDB: FOOD00885)
Rabbiteye blueberry (FooDB: FOOD00898)
Blackberry (FooDB: FOOD00906)
Partridge berry (FooDB: FOOD00931)
Green grape (FooDB: FOOD00964)
Red grape (FooDB: FOOD00965)
Black plum (FooDB: FOOD00966)
Black raisin (FooDB: FOOD00968)
Chinese plum (FooDB: FOOD00978)
Green plum (FooDB: FOOD00979)
Wampee (FooDB: FOOD00980)
Goji (FooDB: FOOD00982)
Monk fruit (FooDB: FOOD00983)
Hawthorn (FooDB: FOOD00985)
Lantern fruit (FooDB: FOOD00986)
Cape gooseberry (FooDB: FOOD00988)

Other fruit

Fig (FooDB: FOOD00081)
Date (FooDB: FOOD00135)
Jujube (FooDB: FOOD00388)

Drupe

Prunus (Cherry, Plum) (FooDB: FOOD00143)
Apricot (FooDB: FOOD00144)
Sweet cherry (FooDB: FOOD00145)
Sour cherry (FooDB: FOOD00146)
European plum (FooDB: FOOD00147)
Peach (FooDB: FOOD00149)
Nectarine (FooDB: FOOD00229)
Peach (var.) (FooDB: FOOD00230)
Common chokecherry (FooDB: FOOD00562)

Nut

Cashew nut (FooDB: FOOD00011)
Peanut (FooDB: FOOD00016)
Brazil nut (FooDB: FOOD00024)
Pecan nut (FooDB: FOOD00044)
Chestnut (FooDB: FOOD00045)
Common hazelnut (FooDB: FOOD00062)
Black walnut (FooDB: FOOD00093)
Common walnut (FooDB: FOOD00094)
Pine nut (FooDB: FOOD00138)
Pistachio (FooDB: FOOD00140)
Almond (FooDB: FOOD00148)
Macadamia nut (M. tetraphylla) (FooDB: FOOD00225)
Japanese walnut (FooDB: FOOD00240)
Acorn (FooDB: FOOD00282)
Beech nut (FooDB: FOOD00299)
Butternut (FooDB: FOOD00316)
Chinese chestnut (FooDB: FOOD00331)
European chestnut (FooDB: FOOD00363)
Hazelnut (FooDB: FOOD00376)
Hickory nut (FooDB: FOOD00377)
Japanese chestnut (FooDB: FOOD00385)
Pili nut (FooDB: FOOD00432)
Colorado pinyon (FooDB: FOOD00433)
Macadamia nut (FooDB: FOOD00525)
Walnut (FooDB: FOOD00608)

Cereal and cereal product

Cereal

Cereal product

Pasta (FooDB: FOOD00273)
Bulgur (FooDB: FOOD00741)
Semolina (FooDB: FOOD00745)
Flour (FooDB: FOOD00799)

Dough

Sourdough (FooDB: FOOD00275)

Leavened bread

Flat bread

Other bread

Potato bread (FooDB: FOOD00811)

Sweet bread

Raisin bread (FooDB: FOOD00817)

Pulse

Pea

Lentil

Lentils (FooDB: FOOD00098)

Other pulse

Lupine (FooDB: FOOD00104)
White lupine (FooDB: FOOD00403)

Bean

Green lentil (FooDB: FOOD00970)

Gourd

Watermelon (FooDB: FOOD00052)
Muskmelon (FooDB: FOOD00064)
Cucumber (FooDB: FOOD00065)
Cucurbita (FooDB: FOOD00066)
Bitter gourd (FooDB: FOOD00115)
Winter squash (FooDB: FOOD00283)
Butternut squash (FooDB: FOOD00317)
Calabash (FooDB: FOOD00318)
Chayote (FooDB: FOOD00325)
Towel gourd (FooDB: FOOD00492)
Wax gourd (FooDB: FOOD00499)
Tinda (FooDB: FOOD00559)
Horned melon (FooDB: FOOD00761)
Sunburst squash (pattypan squash) (FooDB: FOOD00874)
Green zucchini (FooDB: FOOD00875)
Yellow zucchini (FooDB: FOOD00876)
Japanese pumpkin (FooDB: FOOD00886)
Acorn squash (FooDB: FOOD00972)
Cantaloupe melon (FooDB: FOOD00984)

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)
Robusta coffee (FooDB: FOOD00060)

Soy

Soy bean (FooDB: FOOD00085)

Soy product

Soy sauce (FooDB: FOOD00694)
Miso (FooDB: FOOD00695)
Tofu (FooDB: FOOD00696)
Soy milk (FooDB: FOOD00736)
Soy cream (FooDB: FOOD00784)

Dish

Other dish

Taco shell (FooDB: FOOD00991)
Tostada shell (FooDB: FOOD00992)

Tea

Herbal tea

Hibiscus tea (FooDB: FOOD00723)
Greenthread tea (FooDB: FOOD00820)

Baking good

Wrapper

Wonton wrapper (FooDB: FOOD00818)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

Amino Sugar and Nucleotide Sugar Metabolism II (PathBank: SMP0000906)
Amino Sugar and Nucleotide Sugar Metabolism III (PathBank: SMP0000914)
Starch and Sucrose Metabolism (PathBank: SMP0000958)
Secondary Metabolites: Trehalose Biosynthesis and Metabolism (PathBank: SMP0000984)

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

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M-H]-	Astarita_neg	218.7	30932474
[M-H]-	MetCCS_test_neg	215.1	30932474
[M+H]+	MetCCS_train_pos	214.514	30932474
[M-H]-	Not Available	217.1	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000170
[M+H]+	Not Available	216.5	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000170

Predicted Molecular Properties

Property	Value	Source
Water Solubility	4.84 g/L	ALOGPS
logP	-1.8	ALOGPS
logP	-6.8	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	3.99	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	311.75 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	117.09 m³·mol⁻¹	ChemAxon
Polarizability	48.69 Å³	ChemAxon
Number of Rings	4	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]+	196.481	30932474
DeepCCS	[M-H]-	194.656	30932474
DeepCCS	[M-2H]-	228.14	30932474
DeepCCS	[M+Na]+	202.087	30932474
AllCCS	[M+H]+	218.2	32859911
AllCCS	[M+H-H2O]+	217.0	32859911
AllCCS	[M+NH4]+	219.2	32859911
AllCCS	[M+Na]+	219.5	32859911
AllCCS	[M-H]-	211.8	32859911
AllCCS	[M+Na-2H]-	212.7	32859911
AllCCS	[M+HCOO]-	213.8	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
ADP-glucose	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1	4837.7	Standard polar	33892256
ADP-glucose	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1	3424.9	Standard non polar	33892256
ADP-glucose	NC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1	4938.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4662.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4654.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O	4644.0	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4659.7	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4694.6	Semi standard non polar	33892256
ADP-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=NC2=C(N)N=CN=C21	4688.3	Semi standard non polar	33892256
ADP-glucose,1TMS,isomer #7	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[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	4733.2	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4746.8	Semi standard non polar	33892256
ADP-glucose,1TMS,isomer #9	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[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	4734.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4505.2	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4492.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1CO	4460.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4454.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4555.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4545.3	Semi standard non polar	33892256
ADP-glucose,2TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@H]2O)[C@@H](O)[C@H]1O	4586.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O	4462.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O	4470.8	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4479.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O	4533.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4512.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O	4518.7	Semi standard non polar	33892256
ADP-glucose,2TMS,isomer #21	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4560.5	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	4485.5	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4494.0	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4551.8	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4543.6	Semi standard non polar	33892256
ADP-glucose,2TMS,isomer #26	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[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[Si](C)(C)C)[C@@H](O)[C@H]1O	4590.1	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	4521.7	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4574.6	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4584.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4501.3	Semi standard non polar	33892256
ADP-glucose,2TMS,isomer #30	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[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[Si](C)(C)C)[C@H]1O	4594.5	Semi standard non polar	33892256
ADP-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=NC2=C(N)N=CN=C21	4564.0	Semi standard non polar	33892256
ADP-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=NC2=C(N)N=CN=C21	4575.8	Semi standard non polar	33892256
ADP-glucose,2TMS,isomer #33	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[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[Si](C)(C)C	4594.6	Semi standard non polar	33892256
ADP-glucose,2TMS,isomer #34	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[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	4629.5	Semi standard non polar	33892256
ADP-glucose,2TMS,isomer #35	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4664.9	Semi standard non polar	33892256
ADP-glucose,2TMS,isomer #36	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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@@H](O)[C@H]1O	4667.2	Semi standard non polar	33892256
ADP-glucose,2TMS,isomer #37	C[Si](C)(C)N(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C	4643.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4464.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4507.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4577.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4565.2	Semi standard non polar	33892256
ADP-glucose,2TMS,isomer #8	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	4600.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4485.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4347.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4336.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4396.8	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4383.0	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #13	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	4433.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4328.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4328.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4388.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4375.4	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #18	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	4449.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4321.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4324.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4362.8	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4346.4	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #22	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@H]1O	4414.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4401.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4387.3	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #25	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	4459.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4435.0	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #27	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4500.2	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #28	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	4492.2	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4479.8	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4294.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4323.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	4287.2	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4283.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4371.2	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4361.3	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #35	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	4416.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	4290.0	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4286.8	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4376.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	4367.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4333.8	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #40	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	4414.2	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4325.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1CO	4349.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1CO	4339.5	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #44	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	4409.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4352.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4339.4	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #47	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4406.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4423.7	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #49	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4491.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4393.0	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #50	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@H]2O)[C@@H](O)[C@H]1O	4481.9	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4459.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	4301.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4307.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O	4353.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O	4339.8	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #56	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O[Si](C)(C)C	4393.6	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4311.2	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O	4360.2	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	4346.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4378.6	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #60	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O[Si](C)(C)C)[C@H]1O	4390.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4372.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4359.3	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #63	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4427.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O	4402.3	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #65	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4465.3	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #66	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4452.1	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O	4433.9	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4324.2	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	4366.2	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #7	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	4434.4	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	4355.9	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #71	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[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[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4418.6	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4361.6	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4372.5	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #74	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[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[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4416.1	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4416.3	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #76	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4491.9	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #77	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4480.6	Semi standard non polar	33892256
ADP-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=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4456.9	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	4395.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4326.4	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	4405.2	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #81	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[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[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4449.2	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4445.0	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #83	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O[Si](C)(C)C)[C@H]1O	4482.7	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #84	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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@@H](O[Si](C)(C)C)[C@H]1O	4492.4	Semi standard non polar	33892256
ADP-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=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	4462.7	Semi standard non polar	33892256
ADP-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=NC2=C(N)N=CN=C21	4439.6	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #87	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O[Si](C)(C)C	4485.6	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #88	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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@@H](O)[C@H]1O[Si](C)(C)C	4495.2	Semi standard non polar	33892256
ADP-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=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4465.8	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4298.1	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #90	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4547.7	Semi standard non polar	33892256
ADP-glucose,3TMS,isomer #91	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[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	4540.0	Semi standard non polar	33892256
ADP-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=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4548.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4212.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4235.9	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #100	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4339.9	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4308.3	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #102	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4419.5	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4389.7	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4379.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4206.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O	4235.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	4218.6	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #108	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4297.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4242.5	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #11	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4313.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4225.9	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #111	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O[Si](C)(C)C	4304.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O	4262.8	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #113	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4348.9	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #114	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O[Si](C)(C)C	4335.4	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O	4305.4	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4230.2	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4245.3	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #118	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O[Si](C)(C)C)[C@H]1O	4305.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H]1O	4270.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4200.7	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #120	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4345.7	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #121	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O[Si](C)(C)C)[C@H]1O	4333.8	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@@H]1O	4306.2	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4293.0	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #124	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4367.1	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #125	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4354.5	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4316.3	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #127	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4400.1	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O	4374.1	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O	4363.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4232.5	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4250.2	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C)O[Si](C)(C)C	4237.7	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #132	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[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[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4318.7	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O)O[Si](C)(C)C	4279.2	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #134	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O[Si](C)(C)C	4361.8	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #135	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O[Si](C)(C)C	4351.1	Semi standard non polar	33892256
ADP-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=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O[Si](C)(C)C)[C@@H]1O	4315.2	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4285.5	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #138	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O[Si](C)(C)C)[C@H]1O	4350.6	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #139	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O[Si](C)(C)C)[C@H]1O	4361.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4212.6	Semi standard non polar	33892256
ADP-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=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	4317.5	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #141	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4414.4	Semi standard non polar	33892256
ADP-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=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O	4388.8	Semi standard non polar	33892256
ADP-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=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C	4376.1	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C	4304.3	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #145	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4375.8	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #146	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4386.6	Semi standard non polar	33892256
ADP-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=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O[Si](C)(C)C	4345.0	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #148	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O[Si](C)(C)C)[C@H]1O	4419.4	Semi standard non polar	33892256
ADP-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=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	4391.8	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #15	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	4299.8	Semi standard non polar	33892256
ADP-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=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[C@@H]1O	4396.4	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #151	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O[Si](C)(C)C	4421.6	Semi standard non polar	33892256
ADP-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=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4392.6	Semi standard non polar	33892256
ADP-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=NC2=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C21	4397.9	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #154	C[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C32)[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	4458.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4258.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4242.5	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #18	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	4321.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4291.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4190.3	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #20	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4371.8	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #21	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	4363.4	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4327.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4209.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4207.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4253.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4240.3	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #27	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4313.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4204.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4235.8	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4217.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4217.6	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #31	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	4299.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4261.2	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4247.5	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #34	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	4322.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4296.1	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #36	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4370.9	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #37	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	4361.9	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4329.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4251.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4263.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4267.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4251.8	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #42	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	4330.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4268.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4251.2	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #45	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	4328.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4302.2	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #47	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4376.6	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #48	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	4365.8	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4326.2	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4250.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4267.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4246.5	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #52	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@H]1O	4326.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4281.8	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #54	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4364.4	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #55	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)[C@@H](O)[C@H]1O	4350.2	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4313.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4315.5	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #58	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4389.7	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #59	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	4378.7	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #6	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4330.3	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4336.7	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #61	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O[Si](C)(C)C)OP(=O)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4417.4	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4396.0	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4385.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	4188.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4186.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4248.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4235.3	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #68	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4316.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4207.8	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4206.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[C@@H]1CO	4224.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1CO	4213.2	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #72	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4288.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C	4223.2	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4207.9	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #75	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O[Si](C)(C)C	4286.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O	4280.3	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #77	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4362.2	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #78	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@H]2O)[C@@H](O)[C@H]1O[Si](C)(C)C	4354.9	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4317.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[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	4205.5	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4211.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[C@@H]1CO	4226.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]1CO	4218.9	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #83	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4289.0	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4213.4	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4225.8	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #86	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O[Si](C)(C)C)[C@H]1O	4288.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@H](O)[C@H]1O	4287.2	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #88	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4362.0	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #89	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@H]2O)[C@@H](O[Si](C)(C)C)[C@H]1O	4354.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C)[C@@H]2O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4252.0	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C)[C@H](O)[C@H]1O	4319.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C	4263.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4249.3	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #93	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4329.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)O[C@@H]1CO	4277.7	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #95	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4354.4	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #96	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@H]2O[Si](C)(C)C)[C@@H](O)[C@H]1O	4342.5	Semi standard non polar	33892256
ADP-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=NC4=C(N([Si](C)(C)C)[Si](C)(C)C)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1CO	4310.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4276.9	Semi standard non polar	33892256
ADP-glucose,4TMS,isomer #99	C[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4354.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4865.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4858.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O	4847.7	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4862.4	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4898.0	Semi standard non polar	33892256
ADP-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=NC2=C(N)N=CN=C21	4892.9	Semi standard non polar	33892256
ADP-glucose,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[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	4931.2	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4944.8	Semi standard non polar	33892256
ADP-glucose,1TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[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	4936.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4889.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4862.2	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[C@@H]1CO	4816.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4810.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O	4908.3	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4901.5	Semi standard non polar	33892256
ADP-glucose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	4899.8	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@@H]1O	4842.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@@H]1O	4846.1	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O[Si](C)(C)C(C)(C)C	4840.5	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H]1O	4891.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4891.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)[C@@H]1O	4878.8	Semi standard non polar	33892256
ADP-glucose,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)(C)C)[C@H]2O)[C@@H](O)[C@H]1O	4882.5	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4856.8	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4859.7	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O	4902.0	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O)O[Si](C)(C)C(C)(C)C	4897.1	Semi standard non polar	33892256
ADP-glucose,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[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[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O	4903.6	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O[Si](C)(C)C(C)(C)C	4897.8	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4930.4	Semi standard non polar	33892256
ADP-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=NC3=C(N)N=CN=C32)[C@@H]1O	4936.6	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4874.8	Semi standard non polar	33892256
ADP-glucose,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[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[Si](C)(C)C(C)(C)C)[C@H]1O	4930.5	Semi standard non polar	33892256
ADP-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=NC2=C(N)N=CN=C21	4927.6	Semi standard non polar	33892256
ADP-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=NC2=C(N)N=CN=C21	4933.0	Semi standard non polar	33892256
ADP-glucose,2TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[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[Si](C)(C)C(C)(C)C	4934.5	Semi standard non polar	33892256
ADP-glucose,2TBDMS,isomer #34	CC(C)(C)[Si](C)(C)OP(=O)(OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[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	4963.8	Semi standard non polar	33892256
ADP-glucose,2TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4985.5	Semi standard non polar	33892256
ADP-glucose,2TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[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)[C@@H](O)[C@H]1O	4989.6	Semi standard non polar	33892256
ADP-glucose,2TBDMS,isomer #37	CC(C)(C)[Si](C)(C)N(C1=NC=NC2=C1N=CN2[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)[Si](C)(C)C(C)(C)C	4964.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4845.0	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4872.4	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4933.9	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4924.0	Semi standard non polar	33892256
ADP-glucose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H]1O	4914.7	Semi standard non polar	33892256
ADP-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=NC4=C(N)N=CN=C43)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O)[C@H](O)[C@H]1O	4859.8	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 - ADP-glucose GC-MS (Non-derivatized) - 70eV, Positive	splash10-05di-5941580000-aa3b11c510a971dd2bae	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (1 TMS) - 70eV, Positive	splash10-05be-8925707000-bdd8b43e72abaa64441b	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS ("ADP-glucose,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-glucose GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - ADP-glucose LC-ESI-QTOF 32V, positive-QTOF	splash10-0006-0000290000-7f66f6e8af24e4839d36	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - ADP-glucose LC-ESI-QTOF 30V, positive-QTOF	splash10-004l-0000950000-739c8280d86a2f6f3b3b	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - ADP-glucose LC-ESI-QTOF 32V, negative-QTOF	splash10-002k-9248080000-875881d0c025c30eb244	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - ADP-glucose NA , negative-QTOF	splash10-003r-3900000000-64717800131918b409d1	2020-07-21	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - ADP-glucose 40V, Positive-QTOF	splash10-000i-1901000000-e41db8583774d0cca66d	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - ADP-glucose 30V, Positive-QTOF	splash10-004i-0000940000-0f0b4d7b3da79f054155	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - ADP-glucose 10V, Positive-QTOF	splash10-004i-0000900000-c6a92771658ee7a74bb5	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - ADP-glucose 20V, Positive-QTOF	splash10-004i-0401900000-e9c970aa89843c279822	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 10V, Positive-QTOF	splash10-000i-0910520000-894488255e0d2059a6ca	2015-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 20V, Positive-QTOF	splash10-000i-0910000000-af7d8977d3d229ea73ee	2015-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 40V, Positive-QTOF	splash10-000i-1900000000-39c6318a5ada8cb3ebb4	2015-09-14	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 10V, Negative-QTOF	splash10-001r-1901470000-134113735239a2586876	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 20V, Negative-QTOF	splash10-001i-1901000000-48fb3c4c1d3e3f084d3d	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 40V, Negative-QTOF	splash10-0563-3900000000-f9f285dafe2da95e8009	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 10V, Negative-QTOF	splash10-000i-0000090000-494b86dfa2b4e6fc0ac1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 20V, Negative-QTOF	splash10-0570-5421970000-431fd452ea842be1eb27	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 40V, Negative-QTOF	splash10-0a4i-2922610000-bc7320a1bf5a6bf0dc76	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 10V, Positive-QTOF	splash10-0006-0000090000-46811e8e339262e18415	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 20V, Positive-QTOF	splash10-000l-0841490000-f709931b7e24d70dc4f3	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-glucose 40V, Positive-QTOF	splash10-000i-2921000000-17d11c3948611bf9ff8b	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

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

DB01774

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

16500

PDB ID

Not Available

ChEBI ID

15751

Food Biomarker Ontology

Not Available

VMH ID

ADPGLC

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Tamura, Kiminori; Morozumi, Manami; Yoshino, Hiroshi; Noda, Yutaka; Suzuki, Morio. Nucleotide anhydrides. Ger. Offen. (1972), 16 pp. CODEN: GWXXBX DE 2038262 19720203 CAN 76:99993 AN 1972:99993

Material Safety Data Sheet (MSDS)

Not Available

General References

Tiessen A, Nerlich A, Faix B, Hummer C, Fox S, Trafford K, Weber H, Weschke W, Geigenberger P: Subcellular analysis of starch metabolism in developing barley seeds using a non-aqueous fractionation method. J Exp Bot. 2012 Mar;63(5):2071-87. doi: 10.1093/jxb/err408. Epub 2011 Dec 26. [PubMed:22200665 ]
Ezquer I, Li J, Ovecka M, Baroja-Fernandez E, Munoz FJ, Montero M, Diaz de Cerio J, Hidalgo M, Sesma MT, Bahaji A, Etxeberria E, Pozueta-Romero J: Microbial volatile emissions promote accumulation of exceptionally high levels of starch in leaves in mono- and dicotyledonous plants. Plant Cell Physiol. 2010 Oct;51(10):1674-93. doi: 10.1093/pcp/pcq126. Epub 2010 Aug 24. [PubMed:20739303 ]
Szecowka M, Osorio S, Obata T, Araujo WL, Rohrmann J, Nunes-Nesi A, Fernie AR: Decreasing the mitochondrial synthesis of malate in potato tubers does not affect plastidial starch synthesis, suggesting that the physiological regulation of ADPglucose pyrophosphorylase is context dependent. Plant Physiol. 2012 Dec;160(4):2227-38. doi: 10.1104/pp.112.204826. Epub 2012 Oct 12. [PubMed:23064409 ]
Uhlmann NK, Beckles DM: Storage products and transcriptional analysis of the endosperm of cultivated wheat and two wild wheat species. J Appl Genet. 2010;51(4):431-47. doi: 10.1007/BF03208873. [PubMed:21063061 ]
Li J, Baroja-Fernandez E, Bahaji A, Munoz FJ, Ovecka M, Montero M, Sesma MT, Alonso-Casajus N, Almagro G, Sanchez-Lopez AM, Hidalgo M, Zamarbide M, Pozueta-Romero J: Enhancing sucrose synthase activity results in increased levels of starch and ADP-glucose in maize (Zea mays L.) seed endosperms. Plant Cell Physiol. 2013 Feb;54(2):282-94. doi: 10.1093/pcp/pcs180. Epub 2013 Jan 3. [PubMed:23292602 ]
Bejar CM, Ballicora MA, Iglesias AA, Preiss J: ADPglucose pyrophosphorylase's N-terminus: structural role in allosteric regulation. Biochem Biophys Res Commun. 2006 Apr 28;343(1):216-21. Epub 2006 Mar 2. [PubMed:16530732 ]
Baroja-Fernandez E, Munoz FJ, Montero M, Etxeberria E, Sesma MT, Ovecka M, Bahaji A, Ezquer I, Li J, Prat S, Pozueta-Romero J: Enhancing sucrose synthase activity in transgenic potato (Solanum tuberosum L.) tubers results in increased levels of starch, ADPglucose and UDPglucose and total yield. Plant Cell Physiol. 2009 Sep;50(9):1651-62. doi: 10.1093/pcp/pcp108. Epub 2009 Jul 16. [PubMed:19608713 ]
Haferkamp I: The diverse members of the mitochondrial carrier family in plants. FEBS Lett. 2007 May 25;581(12):2375-9. Epub 2007 Feb 26. [PubMed:17321523 ]
Comparot-Moss S, Denyer K: The evolution of the starch biosynthetic pathway in cereals and other grasses. J Exp Bot. 2009;60(9):2481-92. doi: 10.1093/jxb/erp141. [PubMed:19505928 ]
Ezquer I, Li J, Ovecka M, Baroja-Fernandez E, Munoz FJ, Montero M, Diaz de Cerio J, Hidalgo M, Sesma MT, Bahaji A, Etxeberria E, Pozueta-Romero J: A suggested model for potato MIVOISAP involving functions of central carbohydrate and amino acid metabolism, as well as actin cytoskeleton and endocytosis. Plant Signal Behav. 2010 Dec;5(12):1638-41. Epub 2010 Dec 1. [PubMed:21150257 ]
Baroja-Fernandez E, Etxeberria E, Munoz FJ, Moran-Zorzano MT, Alonso-Casajus N, Gonzalez P, Pozueta-Romero J: An important pool of sucrose linked to starch biosynthesis is taken up by endocytosis in heterotrophic cells. Plant Cell Physiol. 2006 Apr;47(4):447-56. Epub 2006 Jan 24. [PubMed:16434435 ]
Fettke J, Malinova I, Albrecht T, Hejazi M, Steup M: Glucose-1-phosphate transport into protoplasts and chloroplasts from leaves of Arabidopsis. Plant Physiol. 2011 Apr;155(4):1723-34. doi: 10.1104/pp.110.168716. Epub 2010 Nov 29. [PubMed:21115809 ]
Wiedemuth K, Muller J, Kahlau A, Amme S, Mock HP, Grzam A, Hell R, Egle K, Beschow H, Humbeck K: Successive maturation and senescence of individual leaves during barley whole plant ontogeny reveals temporal and spatial regulation of photosynthetic function in conjunction with C and N metabolism. J Plant Physiol. 2005 Nov;162(11):1226-36. [PubMed:16323274 ]
Nagai YS, Sakulsingharoj C, Edwards GE, Satoh H, Greene TW, Blakeslee B, Okita TW: Control of starch synthesis in cereals: metabolite analysis of transgenic rice expressing an up-regulated cytoplasmic ADP-glucose pyrophosphorylase in developing seeds. Plant Cell Physiol. 2009 Mar;50(3):635-43. doi: 10.1093/pcp/pcp021. Epub 2009 Feb 10. [PubMed:19208694 ]
Thorneycroft D, Hosein F, Thangavelu M, Clark J, Vizir I, Burrell MM, Ainsworth C: Characterization of a gene from chromosome 1B encoding the large subunit of ADPglucose pyrophosphorylase from wheat: evolutionary divergence and differential expression of Agp2 genes between leaves and developing endosperm. Plant Biotechnol J. 2003 Jul;1(4):259-70. [PubMed:17163903 ]
Moran-Zorzano MT, Alonso-Casajus N, Munoz FJ, Viale AM, Baroja-Fernandez E, Eydallin G, Pozueta-Romero J: Occurrence of more than one important source of ADPglucose linked to glycogen biosynthesis in Escherichia coli and Salmonella. FEBS Lett. 2007 Sep 18;581(23):4423-9. Epub 2007 Aug 15. [PubMed:17719035 ]
Smith AM: Prospects for increasing starch and sucrose yields for bioethanol production. Plant J. 2008 May;54(4):546-58. doi: 10.1111/j.1365-313X.2008.03468.x. [PubMed:18476862 ]
Lunn JE, Feil R, Hendriks JH, Gibon Y, Morcuende R, Osuna D, Scheible WR, Carillo P, Hajirezaei MR, Stitt M: Sugar-induced increases in trehalose 6-phosphate are correlated with redox activation of ADPglucose pyrophosphorylase and higher rates of starch synthesis in Arabidopsis thaliana. Biochem J. 2006 Jul 1;397(1):139-48. [PubMed:16551270 ]
Eydallin G, Moran-Zorzano MT, Munoz FJ, Baroja-Fernandez E, Montero M, Alonso-Casajus N, Viale AM, Pozueta-Romero J: An Escherichia coli mutant producing a truncated inactive form of GlgC synthesizes glycogen: further evidences for the occurrence of various important sources of ADPglucose in enterobacteria. FEBS Lett. 2007 Sep 18;581(23):4417-22. Epub 2007 Aug 15. [PubMed:17719034 ]
Asencion Diez MD, Aleanzi MC, Iglesias AA, Ballicora MA: A novel dual allosteric activation mechanism of Escherichia coli ADP-glucose pyrophosphorylase: the role of pyruvate. PLoS One. 2014 Aug 7;9(8):e103888. doi: 10.1371/journal.pone.0103888. eCollection 2014. [PubMed:25102309 ]

Showing metabocard for ADP-glucose (HMDB0006557)

MOL for HMDB0006557 (ADP-glucose)

3D MOL for HMDB0006557 (ADP-glucose)

3D SDF for HMDB0006557 (ADP-glucose)

3D-SDF for HMDB0006557 (ADP-glucose)

PDB for HMDB0006557 (ADP-glucose)

3D PDB for HMDB0006557 (ADP-glucose)

SMILES for HMDB0006557 (ADP-glucose)

INCHI for HMDB0006557 (ADP-glucose)

Structure for HMDB0006557 (ADP-glucose)

3D Structure for HMDB0006557 (ADP-glucose)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra