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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2007-05-23 02:47:31 UTC

Update Date

2021-09-14 15:47:20 UTC

HMDB ID

HMDB0006369

Secondary Accession Numbers

HMDB06369

Metabolite Identification

Common Name

ADP-Mannose

Description

ADP-Mannose, also known as apd-D-mannose or ADP-man, 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-Mannose has been detected, but not quantified in, several different foods, such as persian limes (Citrus latifolia), gentiana luteas (Gentiana lutea), apricots (Prunus armeniaca), green beans (Phaseolus vulgaris), and mountain yams (Dioscorea pentaphylla). This could make ADP-mannose a potential biomarker for the consumption of these foods. ADP-Mannose 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 small amount of articles have been published on ADP-Mannose.

Structure

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


  Mrv1652309042000322D          

 38 41  0  0  1  0            999 V2000
   19.1384   -6.1910    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.7171   -6.3380    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.6260   -7.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4750   -5.2235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5897   -5.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5322   -7.3775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0488   -6.8218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8915   -6.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7342   -6.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5646   -4.5929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3977   -7.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3854   -5.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7267   -3.4354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4753   -5.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2008   -7.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8015   -6.9441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2333   -5.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5846   -8.8314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5846  -10.1592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0896   -8.6703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750   -9.9078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0896  -11.1452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8432   -6.7124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3571   -7.3790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6275   -6.9686    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8410   -8.0472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.9812   -5.8973    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8964   -5.0766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.3129   -6.3810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1432   -4.7398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2957   -6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5599   -6.0441    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.0584   -3.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8040   -9.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0661   -9.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8040   -9.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0896  -10.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750   -9.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  1 16  2  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  2 17  2  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 30  1  0  0  0  0
  4 32  1  0  0  0  0
 23  5  1  6  0  0  0
 24  6  1  6  0  0  0
  7 31  1  0  0  0  0
 32  8  1  1  0  0  0
 27  9  1  6  0  0  0
 28 10  1  1  0  0  0
 29 11  1  6  0  0  0
 13 33  1  0  0  0  0
 26 18  1  1  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 35  2  0  0  0  0
 19 36  1  0  0  0  0
 20 34  2  0  0  0  0
 20 38  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 31  1  1  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  6  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END

HMDB0006369
     RDKit          3D
ADP-Mannose
 63 66  0  0  0  0  0  0  0  0999 V2000
   -8.6707   -3.0735   -0.1894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2677   -1.7269   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2132   -0.8046    0.2949 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8493    0.4714    0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5626    0.8808    0.2587 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5864    0.0234   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9630   -1.3163   -0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8409   -1.9734   -0.5327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7845   -1.1044   -0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2687    0.1121   -0.3019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5289    1.3453   -0.3066 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3247    1.2098   -0.9291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3042    1.4209   -0.0030 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8670    0.1734    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5017    0.3264    1.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169   -0.8810    0.1788 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.7391   -1.7135   -0.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0492    0.0787   -1.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221   -1.8139    0.9030 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479   -2.0680   -0.2040 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.2272   -2.0209   -1.6219 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4116   -3.5579    0.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8461   -0.8835    0.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5141   -0.3457   -0.9267 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0409    0.8611   -0.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7175    0.7049    0.6426 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8132    1.9506    1.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    3.0059    0.7755 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9979   -0.0514    0.4542 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6451   -0.2243    1.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5726   -1.4549   -0.0339 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6625   -2.2119   -0.4333 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6966   -1.2814   -1.2367 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4070   -0.7670   -2.2770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8534    2.5210    0.8202 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8834    3.6488   -0.0395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3338    2.0951    0.9450 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1024    3.2870    0.9643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0975   -3.6424    0.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5293   -3.5061   -1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5828    1.2323    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7730   -1.4157   -0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1457    2.0343   -1.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186    1.8048   -0.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864   -0.7609    0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4636    0.1505    1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532    0.9099   -0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6908   -4.0773   -0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425   -0.3357   -1.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0975   -0.0178    1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710    2.2314    1.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5446    1.7232    2.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2604    3.8014    1.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6697    0.3841   -0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5221    0.1807    1.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0425   -1.9234    0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4576   -3.1985   -0.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2578   -2.2742   -1.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1249    0.0823   -2.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3884    2.7380    1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4347    3.4267   -0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4552    1.5377    1.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5631    4.0723    0.6871 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  6
 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  1
 38 63  1  0
M  END


  Mrv1652309042000322D          

 38 41  0  0  1  0            999 V2000
   19.1384   -6.1910    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.7171   -6.3380    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.6260   -7.7936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.4750   -5.2235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5897   -5.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5322   -7.3775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0488   -6.8218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8915   -6.5279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7342   -6.2341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5646   -4.5929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3977   -7.2017    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3854   -5.8543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.7267   -3.4354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4753   -5.4380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2008   -7.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8015   -6.9441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2333   -5.6697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5846   -8.8314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5846  -10.1592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0896   -8.6703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750   -9.9078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0896  -11.1452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8432   -6.7124    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.3571   -7.3790    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.6275   -6.9686    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.8410   -8.0472    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.9812   -5.8973    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.8964   -5.0766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.3129   -6.3810    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.1432   -4.7398    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.2957   -6.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5599   -6.0441    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   21.0584   -3.9192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8040   -9.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0661   -9.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8040   -9.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0896  -10.3203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3750   -9.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  1 16  2  0  0  0  0
  2  7  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  2 17  2  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4 30  1  0  0  0  0
  4 32  1  0  0  0  0
 23  5  1  6  0  0  0
 24  6  1  6  0  0  0
  7 31  1  0  0  0  0
 32  8  1  1  0  0  0
 27  9  1  6  0  0  0
 28 10  1  1  0  0  0
 29 11  1  6  0  0  0
 13 33  1  0  0  0  0
 26 18  1  1  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 35  2  0  0  0  0
 19 36  1  0  0  0  0
 20 34  2  0  0  0  0
 20 38  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 31  1  1  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 32  1  0  0  0  0
 30 33  1  6  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0006369

> <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-RYRBFGMPSA-N

> <FORMULA>
C16H25N5O15P2

> <MOLECULAR_WEIGHT>
589.3417

> <EXACT_MASS>
589.082238179

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
63

> <JCHEM_AVERAGE_POLARIZABILITY>
49.609896171703504

> <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,3S,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-mannose

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0006369
     RDKit          3D
ADP-Mannose
 63 66  0  0  0  0  0  0  0  0999 V2000
   -8.6707   -3.0735   -0.1894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2677   -1.7269   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2132   -0.8046    0.2949 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8493    0.4714    0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5626    0.8808    0.2587 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5864    0.0234   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9630   -1.3163   -0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8409   -1.9734   -0.5327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7845   -1.1044   -0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2687    0.1121   -0.3019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5289    1.3453   -0.3066 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3247    1.2098   -0.9291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3042    1.4209   -0.0030 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8670    0.1734    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5017    0.3264    1.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169   -0.8810    0.1788 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.7391   -1.7135   -0.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0492    0.0787   -1.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221   -1.8139    0.9030 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479   -2.0680   -0.2040 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.2272   -2.0209   -1.6219 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4116   -3.5579    0.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8461   -0.8835    0.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5141   -0.3457   -0.9267 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0409    0.8611   -0.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7175    0.7049    0.6426 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8132    1.9506    1.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    3.0059    0.7755 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9979   -0.0514    0.4542 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6451   -0.2243    1.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5726   -1.4549   -0.0339 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6625   -2.2119   -0.4333 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6966   -1.2814   -1.2367 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4070   -0.7670   -2.2770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8534    2.5210    0.8202 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8834    3.6488   -0.0395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3338    2.0951    0.9450 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1024    3.2870    0.9643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0975   -3.6424    0.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5293   -3.5061   -1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5828    1.2323    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7730   -1.4157   -0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1457    2.0343   -1.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186    1.8048   -0.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864   -0.7609    0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4636    0.1505    1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532    0.9099   -0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6908   -4.0773   -0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425   -0.3357   -1.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0975   -0.0178    1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710    2.2314    1.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5446    1.7232    2.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2604    3.8014    1.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6697    0.3841   -0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5221    0.1807    1.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0425   -1.9234    0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4576   -3.1985   -0.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2578   -2.2742   -1.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1249    0.0823   -2.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3884    2.7380    1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4347    3.4267   -0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4552    1.5377    1.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5631    4.0723    0.6871 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  6
 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  1
 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  P   UNK     0      35.725 -11.557   0.000  0.00  0.00           P+0
HETATM    2  P   UNK     0      33.072 -11.831   0.000  0.00  0.00           P+0
HETATM    3  O   UNK     0      29.169 -14.548   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      38.220  -9.751   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      27.234 -11.064   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      25.260 -13.771   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      31.824 -12.734   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      37.131 -12.185   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      42.437 -11.637   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      42.121  -8.573   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      39.942 -13.443   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      34.319 -10.928   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      40.557  -6.413   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      36.354 -10.151   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      33.975 -13.078   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      35.096 -12.962   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      32.169 -10.583   0.000  0.00  0.00           O+0
HETATM   18  N   UNK     0      27.225 -16.485   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0      27.225 -18.964   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0      24.434 -16.185   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0      23.100 -18.495   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0      24.434 -20.804   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      27.707 -12.530   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      26.800 -13.774   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      29.171 -13.008   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      27.703 -15.021   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      41.032 -11.008   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      40.873  -9.476   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      39.784 -11.911   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      39.467  -8.848   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      30.419 -12.105   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      38.378 -11.282   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      39.309  -7.316   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      25.767 -16.955   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      28.123 -17.725   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      25.767 -18.495   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      24.434 -19.265   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      23.100 -16.955   0.000  0.00  0.00           C+0
CONECT    1    8   12   14   16                                             
CONECT    2    7   12   15   17                                             
CONECT    3   25   26                                                       
CONECT    4   30   32                                                       
CONECT    5   23                                                            
CONECT    6   24                                                            
CONECT    7    2   31                                                       
CONECT    8    1   32                                                       
CONECT    9   27                                                            
CONECT   10   28                                                            
CONECT   11   29                                                            
CONECT   12    1    2                                                       
CONECT   13   33                                                            
CONECT   14    1                                                            
CONECT   15    2                                                            
CONECT   16    1                                                            
CONECT   17    2                                                            
CONECT   18   26   34   35                                                  
CONECT   19   35   36                                                       
CONECT   20   34   38                                                       
CONECT   21   37   38                                                       
CONECT   22   37                                                            
CONECT   23    5   24   25                                                  
CONECT   24    6   23   26                                                  
CONECT   25    3   23   31                                                  
CONECT   26    3   18   24                                                  
CONECT   27    9   28   29                                                  
CONECT   28   10   27   30                                                  
CONECT   29   11   27   32                                                  
CONECT   30    4   28   33                                                  
CONECT   31    7   25                                                       
CONECT   32    4    8   29                                                  
CONECT   33   13   30                                                       
CONECT   34   18   20   36                                                  
CONECT   35   18   19                                                       
CONECT   36   19   34   37                                                  
CONECT   37   21   22   36                                                  
CONECT   38   20   21                                                       
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

COMPND    HMDB0006369
HETATM    1  N1  UNL     1      -8.671  -3.073  -0.189  1.00  0.00           N  
HETATM    2  C1  UNL     1      -8.268  -1.727  -0.033  1.00  0.00           C  
HETATM    3  N2  UNL     1      -9.213  -0.805   0.295  1.00  0.00           N  
HETATM    4  C2  UNL     1      -8.849   0.471   0.435  1.00  0.00           C  
HETATM    5  N3  UNL     1      -7.563   0.881   0.259  1.00  0.00           N  
HETATM    6  C3  UNL     1      -6.586   0.023  -0.061  1.00  0.00           C  
HETATM    7  C4  UNL     1      -6.963  -1.316  -0.209  1.00  0.00           C  
HETATM    8  N4  UNL     1      -5.841  -1.973  -0.533  1.00  0.00           N  
HETATM    9  C5  UNL     1      -4.784  -1.104  -0.590  1.00  0.00           C  
HETATM   10  N5  UNL     1      -5.269   0.112  -0.302  1.00  0.00           N  
HETATM   11  C6  UNL     1      -4.529   1.345  -0.307  1.00  0.00           C  
HETATM   12  O1  UNL     1      -3.325   1.210  -0.929  1.00  0.00           O  
HETATM   13  C7  UNL     1      -2.304   1.421  -0.003  1.00  0.00           C  
HETATM   14  C8  UNL     1      -1.867   0.173   0.633  1.00  0.00           C  
HETATM   15  O2  UNL     1      -0.502   0.326   1.088  1.00  0.00           O  
HETATM   16  P1  UNL     1       0.317  -0.881   0.179  1.00  0.00           P  
HETATM   17  O3  UNL     1      -0.739  -1.714  -0.541  1.00  0.00           O  
HETATM   18  O4  UNL     1       1.049   0.079  -1.099  1.00  0.00           O  
HETATM   19  O5  UNL     1       1.422  -1.814   0.903  1.00  0.00           O  
HETATM   20  P2  UNL     1       2.748  -2.068  -0.204  1.00  0.00           P  
HETATM   21  O6  UNL     1       2.227  -2.021  -1.622  1.00  0.00           O  
HETATM   22  O7  UNL     1       3.412  -3.558   0.190  1.00  0.00           O  
HETATM   23  O8  UNL     1       3.846  -0.883   0.175  1.00  0.00           O  
HETATM   24  C9  UNL     1       4.514  -0.346  -0.927  1.00  0.00           C  
HETATM   25  O9  UNL     1       5.041   0.861  -0.549  1.00  0.00           O  
HETATM   26  C10 UNL     1       5.717   0.705   0.643  1.00  0.00           C  
HETATM   27  C11 UNL     1       5.813   1.951   1.491  1.00  0.00           C  
HETATM   28  O10 UNL     1       6.361   3.006   0.775  1.00  0.00           O  
HETATM   29  C12 UNL     1       6.998  -0.051   0.454  1.00  0.00           C  
HETATM   30  O11 UNL     1       7.645  -0.224   1.697  1.00  0.00           O  
HETATM   31  C13 UNL     1       6.573  -1.455  -0.034  1.00  0.00           C  
HETATM   32  O12 UNL     1       7.663  -2.212  -0.433  1.00  0.00           O  
HETATM   33  C14 UNL     1       5.697  -1.281  -1.237  1.00  0.00           C  
HETATM   34  O13 UNL     1       6.407  -0.767  -2.277  1.00  0.00           O  
HETATM   35  C15 UNL     1      -2.853   2.521   0.820  1.00  0.00           C  
HETATM   36  O14 UNL     1      -2.883   3.649  -0.039  1.00  0.00           O  
HETATM   37  C16 UNL     1      -4.334   2.095   0.945  1.00  0.00           C  
HETATM   38  O15 UNL     1      -5.102   3.287   0.964  1.00  0.00           O  
HETATM   39  H1  UNL     1      -9.098  -3.642   0.559  1.00  0.00           H  
HETATM   40  H2  UNL     1      -8.529  -3.506  -1.131  1.00  0.00           H  
HETATM   41  H3  UNL     1      -9.583   1.232   0.708  1.00  0.00           H  
HETATM   42  H4  UNL     1      -3.773  -1.416  -0.826  1.00  0.00           H  
HETATM   43  H5  UNL     1      -5.146   2.034  -1.007  1.00  0.00           H  
HETATM   44  H6  UNL     1      -1.419   1.805  -0.594  1.00  0.00           H  
HETATM   45  H7  UNL     1      -1.986  -0.761   0.203  1.00  0.00           H  
HETATM   46  H8  UNL     1      -2.464   0.150   1.656  1.00  0.00           H  
HETATM   47  H9  UNL     1       1.353   0.910  -0.640  1.00  0.00           H  
HETATM   48  H10 UNL     1       3.691  -4.077  -0.579  1.00  0.00           H  
HETATM   49  H11 UNL     1       3.942  -0.336  -1.857  1.00  0.00           H  
HETATM   50  H12 UNL     1       5.097  -0.018   1.315  1.00  0.00           H  
HETATM   51  H13 UNL     1       4.871   2.231   1.951  1.00  0.00           H  
HETATM   52  H14 UNL     1       6.545   1.723   2.356  1.00  0.00           H  
HETATM   53  H15 UNL     1       6.260   3.801   1.405  1.00  0.00           H  
HETATM   54  H16 UNL     1       7.670   0.384  -0.301  1.00  0.00           H  
HETATM   55  H17 UNL     1       8.522   0.181   1.706  1.00  0.00           H  
HETATM   56  H18 UNL     1       6.043  -1.923   0.842  1.00  0.00           H  
HETATM   57  H19 UNL     1       7.458  -3.198  -0.363  1.00  0.00           H  
HETATM   58  H20 UNL     1       5.258  -2.274  -1.526  1.00  0.00           H  
HETATM   59  H21 UNL     1       6.125   0.082  -2.637  1.00  0.00           H  
HETATM   60  H22 UNL     1      -2.388   2.738   1.770  1.00  0.00           H  
HETATM   61  H23 UNL     1      -2.435   3.427  -0.915  1.00  0.00           H  
HETATM   62  H24 UNL     1      -4.455   1.538   1.881  1.00  0.00           H  
HETATM   63  H25 UNL     1      -4.563   4.072   0.687  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

HMDB0006369
     RDKit          3D
ADP-Mannose
 63 66  0  0  0  0  0  0  0  0999 V2000
   -8.6707   -3.0735   -0.1894 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2677   -1.7269   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2132   -0.8046    0.2949 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8493    0.4714    0.4353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5626    0.8808    0.2587 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5864    0.0234   -0.0610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9630   -1.3163   -0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8409   -1.9734   -0.5327 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7845   -1.1044   -0.5897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2687    0.1121   -0.3019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5289    1.3453   -0.3066 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3247    1.2098   -0.9291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3042    1.4209   -0.0030 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8670    0.1734    0.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5017    0.3264    1.0880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3169   -0.8810    0.1788 P   0  0  0  0  0  5  0  0  0  0  0  0
   -0.7391   -1.7135   -0.5413 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0492    0.0787   -1.0994 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221   -1.8139    0.9030 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479   -2.0680   -0.2040 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.2272   -2.0209   -1.6219 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4116   -3.5579    0.1897 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8461   -0.8835    0.1748 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5141   -0.3457   -0.9267 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0409    0.8611   -0.5491 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7175    0.7049    0.6426 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8132    1.9506    1.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    3.0059    0.7755 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9979   -0.0514    0.4542 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6451   -0.2243    1.6973 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5726   -1.4549   -0.0339 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6625   -2.2119   -0.4333 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6966   -1.2814   -1.2367 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4070   -0.7670   -2.2770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8534    2.5210    0.8202 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8834    3.6488   -0.0395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3338    2.0951    0.9450 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.1024    3.2870    0.9643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0975   -3.6424    0.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5293   -3.5061   -1.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5828    1.2323    0.7082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7730   -1.4157   -0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1457    2.0343   -1.0072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4186    1.8048   -0.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864   -0.7609    0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4636    0.1505    1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3532    0.9099   -0.6398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6908   -4.0773   -0.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425   -0.3357   -1.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0975   -0.0178    1.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8710    2.2314    1.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5446    1.7232    2.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2604    3.8014    1.4045 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6697    0.3841   -0.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5221    0.1807    1.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0425   -1.9234    0.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4576   -3.1985   -0.3626 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2578   -2.2742   -1.5264 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1249    0.0823   -2.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3884    2.7380    1.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4347    3.4267   -0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4552    1.5377    1.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5631    4.0723    0.6871 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  6
 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  1
 38 63  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Adenosine diphosphate-mannose	ChEBI
ADPmannose	ChEBI
APD-D-mannose	ChEBI
Adenosine diphosphoric acid-mannose	Generator
ADP-Man	MeSH

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,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphinic acid

Traditional Name

adp-mannose

CAS Registry Number

28447-34-9

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-RYRBFGMPSA-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

ADP-aldose (CHEBI:28845 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0006369)

Source

Endogenous

Endogenous (HMDB: HMDB0006369)

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

Mannose Metabolism (PathBank: SMP0012444)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

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

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	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	49.61 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]+	196.375	30932474
DeepCCS	[M-H]-	194.55	30932474
DeepCCS	[M-2H]-	228.077	30932474
DeepCCS	[M+Na]+	201.98	30932474
AllCCS	[M+H]+	220.2	32859911
AllCCS	[M+H-H2O]+	218.9	32859911
AllCCS	[M+NH4]+	221.3	32859911
AllCCS	[M+Na]+	221.7	32859911
AllCCS	[M-H]-	211.9	32859911
AllCCS	[M+Na-2H]-	212.9	32859911
AllCCS	[M+HCOO]-	214.0	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
ADP-Mannose	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-Mannose	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-Mannose	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-Mannose,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-Mannose,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-Mannose,1TMS,isomer #3	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4644.1	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,2TMS,isomer #12	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O[Si](C)(C)C	4454.9	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,2TMS,isomer #16	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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	4479.5	Semi standard non polar	33892256
ADP-Mannose,2TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4462.5	Semi standard non polar	33892256
ADP-Mannose,2TMS,isomer #18	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4470.8	Semi standard non polar	33892256
ADP-Mannose,2TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4533.3	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,2TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4518.6	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,2TMS,isomer #23	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[Si](C)(C)C	4494.0	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,3TMS,isomer #32	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O[Si](C)(C)C	4283.6	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,3TMS,isomer #41	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[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	4325.5	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,3TMS,isomer #45	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O[Si](C)(C)C	4352.7	Semi standard non polar	33892256
ADP-Mannose,3TMS,isomer #46	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O[Si](C)(C)C	4339.2	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,3TMS,isomer #52	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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	4307.9	Semi standard non polar	33892256
ADP-Mannose,3TMS,isomer #53	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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[Si](C)(C)C	4310.9	Semi standard non polar	33892256
ADP-Mannose,3TMS,isomer #54	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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	4372.3	Semi standard non polar	33892256
ADP-Mannose,3TMS,isomer #55	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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	4359.3	Semi standard non polar	33892256
ADP-Mannose,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[Si](C)(C)C)[C@@H](O)[C@H]1O	4427.0	Semi standard non polar	33892256
ADP-Mannose,3TMS,isomer #57	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4301.7	Semi standard non polar	33892256
ADP-Mannose,3TMS,isomer #58	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4353.7	Semi standard non polar	33892256
ADP-Mannose,3TMS,isomer #59	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4339.9	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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)[C@H]1O[Si](C)(C)C	4393.6	Semi standard non polar	33892256
ADP-Mannose,3TMS,isomer #61	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4360.2	Semi standard non polar	33892256
ADP-Mannose,3TMS,isomer #62	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4346.9	Semi standard non polar	33892256
ADP-Mannose,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)[C@@H](O[Si](C)(C)C)[C@H]1O	4390.9	Semi standard non polar	33892256
ADP-Mannose,3TMS,isomer #64	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4402.3	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,3TMS,isomer #67	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4433.8	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,3TMS,isomer #72	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[Si](C)(C)C	4372.4	Semi standard non polar	33892256
ADP-Mannose,3TMS,isomer #73	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[Si](C)(C)C)O[Si](C)(C)C	4361.6	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,4TMS,isomer #101	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O[Si](C)(C)C	4308.3	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,4TMS,isomer #105	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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	4206.9	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #106	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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	4242.5	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #107	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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	4225.9	Semi standard non polar	33892256
ADP-Mannose,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[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C	4304.0	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #109	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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[Si](C)(C)C	4245.2	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,4TMS,isomer #110	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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[Si](C)(C)C)O[Si](C)(C)C	4230.2	Semi standard non polar	33892256
ADP-Mannose,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[Si](C)(C)C)[C@H]1O	4305.1	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #112	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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	4292.9	Semi standard non polar	33892256
ADP-Mannose,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[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O)[C@H]1O	4367.1	Semi standard non polar	33892256
ADP-Mannose,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[Si](C)(C)C)[C@@H](O)[C@H]1O	4354.5	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #115	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[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	4316.3	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #116	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4235.5	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #117	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4218.6	Semi standard non polar	33892256
ADP-Mannose,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)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4297.1	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #119	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4262.8	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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)[C@H]1O[Si](C)(C)C	4348.9	Semi standard non polar	33892256
ADP-Mannose,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)[C@H]1O[Si](C)(C)C	4335.4	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #122	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4305.5	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #123	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4270.3	Semi standard non polar	33892256
ADP-Mannose,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)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O	4345.7	Semi standard non polar	33892256
ADP-Mannose,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)[C@@H](O[Si](C)(C)C)[C@H]1O	4333.8	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #126	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4306.3	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,4TMS,isomer #128	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4374.1	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #129	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4363.1	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,4TMS,isomer #137	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[Si](C)(C)C)O[Si](C)(C)C	4285.5	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #138	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-Mannose,4TMS,isomer #139	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-Mannose,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-Mannose,4TMS,isomer #140	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[Si](C)(C)C	4317.5	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,4TMS,isomer #65	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O[Si](C)(C)C	4186.0	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,4TMS,isomer #69	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[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	4207.7	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,4TMS,isomer #73	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O[Si](C)(C)C	4223.4	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #74	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O[Si](C)(C)C	4207.9	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,4TMS,isomer #80	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[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[Si](C)(C)C	4211.4	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,4TMS,isomer #91	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[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	4263.4	Semi standard non polar	33892256
ADP-Mannose,4TMS,isomer #92	C[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[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	4249.3	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,4TMS,isomer #98	C[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O[Si](C)(C)C	4276.9	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4847.6	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O[Si](C)(C)C(C)(C)C	4810.3	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)[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	4840.5	Semi standard non polar	33892256
ADP-Mannose,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4841.9	Semi standard non polar	33892256
ADP-Mannose,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4846.1	Semi standard non polar	33892256
ADP-Mannose,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4891.6	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](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)O[C@H](CO)[C@H]1O	4878.9	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,2TBDMS,isomer #23	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[Si](C)(C)C(C)(C)C	4859.7	Semi standard non polar	33892256
ADP-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose,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-Mannose 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-Mannose GC-MS (1 TMS) - 70eV, Positive	splash10-002f-4962806000-df9abf69e8ae4578384a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS ("ADP-Mannose,1TMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_1_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - ADP-Mannose GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-15	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 10V, Positive-QTOF	splash10-000i-0910420000-27805e2d6ad7a442c5d2	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 20V, Positive-QTOF	splash10-000i-0910000000-1590d9c92bcfbc642e73	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 40V, Positive-QTOF	splash10-000i-1900000000-414ac1fe7ca63f813788	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 10V, Negative-QTOF	splash10-001r-1901470000-87135b749d5ca483d796	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 20V, Negative-QTOF	splash10-001i-2901000000-6325c842eb1176a1987c	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 40V, Negative-QTOF	splash10-0563-3900000000-50ee3d43313355499d5d	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 10V, Negative-QTOF	splash10-000i-0000090000-494b86dfa2b4e6fc0ac1	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 20V, Negative-QTOF	splash10-0570-5421970000-431fd452ea842be1eb27	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 40V, Negative-QTOF	splash10-0a4i-2922610000-bc7320a1bf5a6bf0dc76	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 10V, Positive-QTOF	splash10-0006-0000090000-46811e8e339262e18415	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 20V, Positive-QTOF	splash10-000l-0841490000-f709931b7e24d70dc4f3	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - ADP-Mannose 40V, Positive-QTOF	splash10-000i-2921000000-17d11c3948611bf9ff8b	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
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, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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
Predicted 1D NMR	¹³C 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

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB023906

KNApSAcK ID

Not Available

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440940

PDB ID

Not Available

ChEBI ID

28845

Food Biomarker Ontology

Not Available

VMH ID

ADPMAN

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Yang H, Slupska MM, Wei YF, Tai JH, Luther WM, Xia YR, Shih DM, Chiang JH, Baikalov C, Fitz-Gibbon S, Phan IT, Conrad A, Miller JH: Cloning and characterization of a new member of the Nudix hydrolases from human and mouse. J Biol Chem. 2000 Mar 24;275(12):8844-53. [PubMed:10722730 ]
Jongkees LB: [Task, role and function of the academic hospital]. Ned Tijdschr Geneeskd. 1975 Mar 22;119(12):478-9. [PubMed:1128712 ]
Kim JS, Kim WY, Rho HW, Park JW, Park BH, Han MK, Kim UH, Kim HR: Purification and characterization of adenosine diphosphate ribose pyrophosphatase from human erythrocytes. Int J Biochem Cell Biol. 1998 May;30(5):629-38. [PubMed:9693963 ]

Showing metabocard for ADP-Mannose (HMDB0006369)

MOL for HMDB0006369 (ADP-Mannose)

3D MOL for HMDB0006369 (ADP-Mannose)

3D SDF for HMDB0006369 (ADP-Mannose)

3D-SDF for HMDB0006369 (ADP-Mannose)

PDB for HMDB0006369 (ADP-Mannose)

3D PDB for HMDB0006369 (ADP-Mannose)

SMILES for HMDB0006369 (ADP-Mannose)

INCHI for HMDB0006369 (ADP-Mannose)

Structure for HMDB0006369 (ADP-Mannose)

3D Structure for HMDB0006369 (ADP-Mannose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra