data_LMN
#

_chem_comp.id                                   LMN
_chem_comp.name                                 "Lauryl Maltose Neopentyl Glycol"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C47 H88 O22"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        "2,2-didecylpropane-1,3-bis-b-D-maltopyranoside"
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2012-09-12
_chem_comp.pdbx_modified_date                   2020-06-17
_chem_comp.pdbx_ambiguous_flag                  N
_chem_comp.pdbx_release_status                  REL
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       1005.188
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    LMN
_chem_comp.pdbx_model_coordinates_details       ?
_chem_comp.pdbx_model_coordinates_missing_flag  N
_chem_comp.pdbx_ideal_coordinates_details       Corina
_chem_comp.pdbx_ideal_coordinates_missing_flag  N
_chem_comp.pdbx_model_coordinates_db_code       4B4A
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 EBI
#   #
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.alt_atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.charge
_chem_comp_atom.pdbx_align
_chem_comp_atom.pdbx_aromatic_flag
_chem_comp_atom.pdbx_leaving_atom_flag
_chem_comp_atom.pdbx_stereo_config
_chem_comp_atom.model_Cartn_x
_chem_comp_atom.model_Cartn_y
_chem_comp_atom.model_Cartn_z
_chem_comp_atom.pdbx_model_Cartn_x_ideal
_chem_comp_atom.pdbx_model_Cartn_y_ideal
_chem_comp_atom.pdbx_model_Cartn_z_ideal
_chem_comp_atom.pdbx_component_atom_id
_chem_comp_atom.pdbx_component_comp_id
_chem_comp_atom.pdbx_ordinal
LMN  C1    C1    C  0  1  N  N  S  12.238  57.734  36.655   -3.290    1.577   0.324  C1    LMN    1  
LMN  O1    O1    O  0  1  N  N  N  11.640  56.459  36.738   -2.186    1.039   1.053  O1    LMN    2  
LMN  C2    C2    C  0  1  N  N  S  11.174  58.728  36.216   -4.223    2.319   1.285  C2    LMN    3  
LMN  O2    O2    O  0  1  N  N  N   9.988  58.541  36.980   -3.525    3.418   1.875  O2    LMN    4  
LMN  C3    C3    C  0  1  N  N  S  11.705  60.142  36.397   -5.435    2.842   0.506  C3    LMN    5  
LMN  O3    O3    O  0  1  N  N  N  11.067  61.022  35.477   -6.345    3.474   1.408  O3    LMN    6  
LMN  C4    C4    C  0  1  N  N  R  13.222  60.189  36.230   -6.129    1.665  -0.186  C4    LMN    7  
LMN  O4    O4    O  0  1  N  N  N  13.941  60.271  37.468   -7.218    2.150  -0.974  O4    LMN    8  
LMN  C5    C5    C  0  1  N  N  S  13.769  59.072  35.346   -5.123    0.949  -1.090  C5    LMN    9  
LMN  O5    O5    O  0  1  N  N  N  13.326  57.761  35.748   -4.007    0.516  -0.309  O5    LMN   10  
LMN  C6    C6    C  0  1  N  N  N  13.423  59.247  33.885   -5.793   -0.264  -1.739  C6    LMN   11  
LMN  O6    O6    O  0  1  N  N  N  14.408  58.673  33.037   -4.886   -0.874  -2.659  O6    LMN   12  
LMN  CAA   CAA   C  0  1  N  N  N  11.173  43.733  39.982    5.490   11.187   1.049  CAA   LMN   13  
LMN  CAB   CAB   C  0  1  N  N  N  15.408  45.868  36.072   -5.524  -11.239   1.169  CAB   LMN   14  
LMN  OAI   OAI   O  0  1  N  N  N  12.678  65.260  39.919   -8.729   -1.850   0.159  OAI   LMN   15  
LMN  OAJ   OAJ   O  0  1  N  N  N   0.867  61.737  37.162    8.715    1.754   0.185  OAJ   LMN   16  
LMN  OAL   OAL   O  0  1  N  N  N   4.113  52.932  34.825    4.834    0.781  -2.709  OAL   LMN   17  
LMN  OAN   OAN   O  0  1  N  N  N   4.208  58.946  35.775    6.315   -3.521   1.398  OAN   LMN   18  
LMN  OAP   OAP   O  0  1  N  N  N   6.857  58.438  36.397    4.637   -1.467   2.292  OAP   LMN   19  
LMN  OAQ   OAQ   O  0  1  N  N  N  15.424  65.069  39.238  -10.490    0.054  -3.106  OAQ   LMN   20  
LMN  OAR   OAR   O  0  1  N  N  N  -0.571  60.799  35.594   10.465   -0.123  -3.101  OAR   LMN   21  
LMN  OAS   OAS   O  0  1  N  N  N  17.338  63.405  37.923  -10.762    2.901  -3.137  OAS   LMN   22  
LMN  OAT   OAT   O  0  1  N  N  N  -0.385  58.731  32.993   10.713   -2.972  -3.167  OAT   LMN   23  
LMN  OAU   OAU   O  0  1  N  N  N  15.065  62.224  35.740   -8.910    4.325  -1.486  OAU   LMN   24  
LMN  OAV   OAV   O  0  1  N  N  N   0.063  56.750  35.901    8.846   -4.400  -1.538  OAV   LMN   25  
LMN  CAW   CAW   C  0  1  N  N  N  11.584  45.182  39.803    4.942   10.069   1.938  CAW   LMN   26  
LMN  CAX   CAX   C  0  1  N  N  N  13.985  46.087  36.516   -4.971  -10.114   2.046  CAX   LMN   27  
LMN  CAY   CAY   C  0  1  N  N  N  11.064  45.810  38.517    4.389    8.944   1.061  CAY   LMN   28  
LMN  CAZ   CAZ   C  0  1  N  N  N  13.253  47.112  35.673   -4.423   -8.996   1.157  CAZ   LMN   29  
LMN  CBA   CBA   C  0  1  N  N  N  11.692  47.163  38.154    3.841    7.826   1.950  CBA   LMN   30  
LMN  CBB   CBB   C  0  1  N  N  N  13.838  48.506  35.749   -3.869   -7.872   2.034  CBB   LMN   31  
LMN  CBC   CBC   C  0  1  N  N  N  11.329  48.318  39.086    3.287    6.702   1.073  CBC   LMN   32  
LMN  CBD   CBD   C  0  1  N  N  N  13.479  49.393  34.572   -3.321   -6.754   1.145  CBD   LMN   33  
LMN  CBE   CBE   C  0  1  N  N  N  11.652  49.714  38.545    2.739    5.584   1.962  CBE   LMN   34  
LMN  CBF   CBF   C  0  1  N  N  N  12.003  49.406  34.214   -2.768   -5.629   2.022  CBF   LMN   35  
LMN  CBG   CBG   C  0  1  N  N  N  10.945  50.853  39.281    2.186    4.459   1.085  CBG   LMN   36  
LMN  CBH   CBH   C  0  1  N  N  N  11.513  50.759  33.727   -2.220   -4.511   1.133  CBH   LMN   37  
LMN  CBI   CBI   C  0  1  N  N  N  11.262  52.244  38.762    1.638    3.341   1.974  CBI   LMN   38  
LMN  CBJ   CBJ   C  0  1  N  N  N  11.696  51.879  34.746   -1.667   -3.386   2.010  CBJ   LMN   39  
LMN  CBK   CBK   C  0  1  N  N  N  10.339  52.776  37.663    1.084    2.217   1.097  CBK   LMN   40  
LMN  CBL   CBL   C  0  1  N  N  N  11.146  53.207  34.285   -1.118   -2.269   1.121  CBL   LMN   41  
LMN  CBM   CBM   C  0  1  N  N  N  12.618  63.908  39.482   -9.749   -1.173  -0.578  CBM   LMN   42  
LMN  CBN   CBN   C  0  1  N  N  N   1.902  60.850  36.763    9.731    1.079  -0.559  CBN   LMN   43  
LMN  CBP   CBP   C  0  1  N  N  N   4.071  53.982  35.787    5.741    0.190  -1.776  CBP   LMN   44  
LMN  CBQ   CBQ   C  0  1  N  N  N  10.641  54.228  37.291    0.536    1.099   1.986  CBQ   LMN   45  
LMN  CBR   CBR   C  0  1  N  N  N   9.865  53.635  35.000   -0.565   -1.144   1.998  CBR   LMN   46  
LMN  CBS   CBS   C  0  1  N  N  N  10.917  55.928  35.610   -1.141    0.521   0.227  CBS   LMN   47  
LMN  CBT   CBT   C  0  1  N  N  N   8.618  55.339  36.419    1.102   -0.580   0.224  CBT   LMN   48  
LMN  OBV   OBV   O  0  1  N  N  N   8.165  56.291  35.473    2.151   -1.091   1.048  OBV   LMN   49  
LMN  OBX   OBX   O  0  1  N  N  N   6.075  55.248  35.663    3.964   -0.579  -0.329  OBX   LMN   50  
LMN  OBY   OBY   O  0  1  N  N  N  13.363  62.269  38.033   -8.962    1.014   0.082  OBY   LMN   51  
LMN  OBZ   OBZ   O  0  1  N  N  N   2.396  58.813  35.676    8.923   -1.110   0.073  OBZ   LMN   52  
LMN  OCB   OCB   O  0  1  N  N  N   2.650  56.562  35.352    7.172   -2.218  -1.000  OCB   LMN   53  
LMN  CCC   CCC   C  0  1  N  N  S  13.622  63.635  38.388   -9.223    0.183  -1.051  CCC   LMN   54  
LMN  CCD   CCD   C  0  1  N  N  S   1.301  59.626  36.121    9.193   -0.268  -1.049  CCD   LMN   55  
LMN  CCF   CCF   C  0  1  N  N  S   4.695  55.255  35.260    5.075   -1.018  -1.113  CCF   LMN   56  
LMN  CCH   CCH   C  0  1  N  N  S   4.711  57.753  35.182    5.397   -2.898   0.496  CCH   LMN   57  
LMN  CCJ   CCJ   C  0  1  N  N  S   6.823  56.289  35.063    3.252   -1.636   0.317  CCJ   LMN   58  
LMN  CCL   CCL   C  0  1  N  N  R   6.210  57.640  35.414    4.191   -2.369   1.278  CCL   LMN   59  
LMN  CCM   CCM   C  0  1  N  N  N   9.985  54.785  36.019   -0.017   -0.026   1.109  CCM   LMN   60  
LMN  CCN   CCN   C  0  1  N  N  R  15.103  63.737  38.817  -10.270    0.854  -1.944  CCN   LMN   61  
LMN  CCO   CCO   C  0  1  N  N  R   0.383  59.957  34.932   10.236   -0.936  -1.949  CCO   LMN   62  
LMN  CCQ   CCQ   C  0  1  N  N  R   4.024  56.528  35.766    6.087   -1.727  -0.210  CCQ   LMN   63  
LMN  CCR   CCR   C  0  1  N  N  S  14.492  61.427  38.032   -8.439    2.303  -0.247  CCR   LMN   64  
LMN  CCS   CCS   C  0  1  N  N  S   2.070  57.729  34.836    8.390   -2.390  -0.273  CCS   LMN   65  
LMN  CCT   CCT   C  0  1  N  N  R  15.957  63.442  37.545   -9.761    2.237  -2.363  CCT   LMN   66  
LMN  CCU   CCU   C  0  1  N  N  R  -0.323  58.673  34.422    9.716   -2.309  -2.386  CCU   LMN   67  
LMN  CCV   CCV   C  0  1  N  N  S  15.594  62.005  37.054   -9.455    3.059  -1.108  CCV   LMN   68  
LMN  CCW   CCW   C  0  1  N  N  S   0.522  57.385  34.700    9.400   -3.144  -1.142  CCW   LMN   69  
LMN  H1    H1    H  0  1  N  N  N  12.591  58.036  37.652   -2.923    2.270  -0.433  H1    LMN   70  
LMN  H4    H4    H  0  1  N  N  N  13.429  61.122  35.686   -6.504    0.971   0.566  H4    LMN   71  
LMN  H5    H5    H  0  1  N  N  N  14.866  59.103  35.428   -4.780    1.633  -1.866  H5    LMN   72  
LMN  H2    H2    H  0  1  N  N  N  10.962  58.567  35.149   -4.559    1.638   2.066  H2    LMN   73  
LMN  HO2   HO2   H  0  1  N  N  N   9.329  59.165  36.700   -2.742    3.160   2.381  HO2   LMN   74  
LMN  H3    H3    H  0  1  N  N  N  11.470  60.462  37.423   -5.104    3.562  -0.243  H3    LMN   75  
LMN  HO3   HO3   H  0  1  N  N  N  11.403  61.903  35.595   -5.968    4.226   1.885  HO3   LMN   76  
LMN  H6    H6    H  0  1  N  N  N  13.345  60.322  33.664   -6.067   -0.984  -0.968  H6    LMN   77  
LMN  H6A   H6A   H  0  1  N  N  N  12.456  58.761  33.687   -6.689    0.057  -2.271  H6A   LMN   78  
LMN  HBP   HBP   H  0  1  N  N  N   4.619  53.663  36.686    6.641   -0.134  -2.300  HBP   LMN   79  
LMN  HBPA  HBPA  H  0  0  N  N  N   3.022  54.182  36.049    6.007    0.922  -1.014  HBPA  LMN   80  
LMN  HBQ   HBQ   H  0  1  N  N  N  10.316  54.858  38.132    1.337    0.709   2.615  HBQ   LMN   81  
LMN  HBQA  HBQA  H  0  0  N  N  N  11.730  54.316  37.166   -0.261    1.493   2.616  HBQA  LMN   82  
LMN  HBR   HBR   H  0  1  N  N  N   9.474  52.757  35.535   -1.362   -0.749   2.628  HBR   LMN   83  
LMN  HBRA  HBRA  H  0  0  N  N  N   9.144  53.947  34.230    0.236   -1.534   2.627  HBRA  LMN   84  
LMN  HBS   HBS   H  0  1  N  N  N  10.317  56.733  35.161   -1.535   -0.280  -0.398  HBS   LMN   85  
LMN  HBSA  HBSA  H  0  0  N  N  N  11.638  55.552  34.870   -0.750    1.318  -0.407  HBSA  LMN   86  
LMN  HBT   HBT   H  0  1  N  N  N   8.698  55.820  37.405    1.492    0.216  -0.409  HBT   LMN   87  
LMN  HBTA  HBTA  H  0  0  N  N  N   7.895  54.512  36.473    0.707   -1.382  -0.401  HBTA  LMN   88  
LMN  HOAI  HOAI  H  0  0  N  N  N  12.036  65.400  40.605   -8.994   -2.719   0.490  HOAI  LMN   89  
LMN  HOAJ  HOAJ  H  0  0  N  N  N   1.248  62.508  37.566    8.986    2.617   0.528  HOAJ  LMN   90  
LMN  HO6   HO6   H  0  1  N  N  N  14.159  58.801  32.129   -5.245   -1.651  -3.109  HO6   LMN   91  
LMN  HOAL  HOAL  H  0  0  N  N  N   3.714  52.151  35.190    5.190    1.554  -3.168  HOAL  LMN   92  
LMN  HOAN  HOAN  H  0  0  N  N  N   3.272  59.005  35.624    5.942   -4.268   1.885  HOAN  LMN   93  
LMN  HOAP  HOAP  H  0  0  N  N  N   7.786  58.239  36.406    3.923   -1.093   2.827  HOAP  LMN   94  
LMN  HOAQ  HOAQ  H  0  0  N  N  N  16.337  65.108  39.497  -11.143    0.420  -3.718  HOAQ  LMN   95  
LMN  HOAR  HOAR  H  0  0  N  N  N  -1.223  61.092  34.969   11.116   -0.487  -3.716  HOAR  LMN   96  
LMN  HOAS  HOAS  H  0  0  N  N  N  17.872  63.226  37.158  -10.507    3.784  -3.437  HOAS  LMN   97  
LMN  HOAT  HOAT  H  0  0  N  N  N  -0.815  57.951  32.662   10.451   -3.849  -3.478  HOAT  LMN   98  
LMN  HOAU  HOAU  H  0  0  N  N  N  15.747  62.570  35.177   -8.688    4.897  -0.739  HOAU  LMN   99  
LMN  HOAV  HOAV  H  0  0  N  N  N  -0.861  56.545  35.818    8.622   -4.982  -0.798  HOAV  LMN  100  
LMN  HAX   HAX   H  0  1  N  N  N  13.993  46.433  37.560   -5.768   -9.719   2.677  HAX   LMN  101  
LMN  HAXA  HAXA  H  0  0  N  N  N  13.446  45.130  36.451   -4.170  -10.504   2.675  HAXA  LMN  102  
LMN  HAY   HAY   H  0  1  N  N  N   9.979  45.955  38.623    3.588    9.334   0.432  HAY   LMN  103  
LMN  HAYA  HAYA  H  0  0  N  N  N  11.261  45.110  37.692    5.186    8.549   0.431  HAYA  LMN  104  
LMN  HAZ   HAZ   H  0  1  N  N  N  12.208  47.157  36.014   -3.626   -9.391   0.527  HAZ   LMN  105  
LMN  HAZA  HAZA  H  0  0  N  N  N  13.283  46.782  34.624   -5.224   -8.606   0.529  HAZA  LMN  106  
LMN  HAA   HAA   H  0  1  N  N  N  10.075  43.663  40.003    6.287   10.792   0.419  HAA   LMN  107  
LMN  HAAA  HAAA  H  0  0  N  N  N  11.562  43.135  39.144    4.690   11.577   0.420  HAAA  LMN  108  
LMN  HAAB  HAAB  H  0  0  N  N  N  11.583  43.349  40.928    5.885   11.988   1.674  HAAB  LMN  109  
LMN  HAB   HAB   H  0  1  N  N  N  15.963  46.815  36.140   -6.325  -10.849   0.541  HAB   LMN  110  
LMN  HABA  HABA  H  0  0  N  N  N  15.417  45.512  35.031   -4.727  -11.634   0.539  HABA  LMN  111  
LMN  HABB  HABB  H  0  0  N  N  N  15.883  45.117  36.720   -5.915  -12.035   1.803  HABB  LMN  112  
LMN  HAW   HAW   H  0  1  N  N  N  11.196  45.761  40.654    5.743    9.679   2.567  HAW   LMN  113  
LMN  HAWA  HAWA  H  0  0  N  N  N  12.683  45.233  39.795    4.145   10.464   2.568  HAWA  LMN  114  
LMN  HBN   HBN   H  0  1  N  N  N   2.487  60.551  37.645   10.020    1.688  -1.415  HBN   LMN  115  
LMN  HBNA  HBNA  H  0  0  N  N  N   2.560  61.356  36.041   10.599    0.913   0.079  HBNA  LMN  116  
LMN  HBA   HBA   H  0  1  N  N  N  12.786  47.045  38.167    4.642    7.436   2.579  HBA   LMN  117  
LMN  HBAA  HBAA  H  0  0  N  N  N  11.364  47.429  37.138    3.044    8.221   2.580  HBAA  LMN  118  
LMN  HBB   HBB   H  0  1  N  N  N  13.470  48.986  36.668   -4.667   -7.477   2.664  HBB   LMN  119  
LMN  HBBA  HBBA  H  0  0  N  N  N  14.934  48.419  35.794   -3.069   -8.261   2.663  HBBA  LMN  120  
LMN  HBC   HBC   H  0  1  N  N  N  11.880  48.182  40.028    2.487    7.091   0.444  HBC   LMN  121  
LMN  HBCA  HBCA  H  0  0  N  N  N  10.248  48.270  39.283    4.084    6.307   0.443  HBCA  LMN  122  
LMN  HBD   HBD   H  0  1  N  N  N  13.782  50.422  34.814   -2.524   -7.148   0.515  HBD   LMN  123  
LMN  HBDA  HBDA  H  0  0  N  N  N  14.041  49.042  33.694   -4.122   -6.364   0.516  HBDA  LMN  124  
LMN  HBE   HBE   H  0  1  N  N  N  12.737  49.872  38.627    3.540    5.194   2.591  HBE   LMN  125  
LMN  HBEA  HBEA  H  0  0  N  N  N  11.355  49.751  37.487    1.942    5.979   2.592  HBEA  LMN  126  
LMN  HBF   HBF   H  0  1  N  N  N  11.425  49.126  35.107   -3.565   -5.234   2.652  HBF   LMN  127  
LMN  HBFA  HBFA  H  0  0  N  N  N  11.830  48.666  33.419   -1.967   -6.019   2.651  HBFA  LMN  128  
LMN  HBG   HBG   H  0  1  N  N  N  11.238  50.809  40.340    1.385    4.849   0.456  HBG   LMN  129  
LMN  HBGA  HBGA  H  0  0  N  N  N   9.860  50.695  39.193    2.983    4.064   0.455  HBGA  LMN  130  
LMN  HBH   HBH   H  0  1  N  N  N  10.442  50.676  33.490   -1.423   -4.906   0.503  HBH   LMN  131  
LMN  HBHA  HBHA  H  0  0  N  N  N  12.070  51.023  32.816   -3.021   -4.121   0.504  HBHA  LMN  132  
LMN  HBI   HBI   H  0  1  N  N  N  11.210  52.940  39.612    2.439    2.951   2.603  HBI   LMN  133  
LMN  HBIA  HBIA  H  0  0  N  N  N  12.287  52.229  38.363    0.841    3.736   2.604  HBIA  LMN  134  
LMN  HBJ   HBJ   H  0  1  N  N  N  11.181  51.592  35.675   -2.464   -2.992   2.641  HBJ   LMN  135  
LMN  HBJA  HBJA  H  0  0  N  N  N  12.772  51.997  34.944   -0.866   -3.776   2.639  HBJA  LMN  136  
LMN  HBK   HBK   H  0  1  N  N  N   9.299  52.712  38.015    0.284    2.606   0.468  HBK   LMN  137  
LMN  HBKA  HBKA  H  0  0  N  N  N  10.462  52.150  36.767    1.882    1.822   0.467  HBKA  LMN  138  
LMN  HBL   HBL   H  0  1  N  N  N  11.912  53.977  34.459   -0.322   -2.663   0.491  HBL   LMN  139  
LMN  HBLA  HBLA  H  0  0  N  N  N  10.934  53.138  33.208   -1.919   -1.879   0.493  HBLA  LMN  140  
LMN  HBM   HBM   H  0  1  N  N  N  12.830  63.247  40.335  -10.032   -1.775  -1.443  HBM   LMN  141  
LMN  HBMA  HBMA  H  0  0  N  N  N  11.608  63.700  39.100  -10.620   -1.023   0.060  HBMA  LMN  142  
LMN  HCC   HCC   H  0  1  N  N  N  13.440  64.306  37.536   -8.302    0.039  -1.616  HCC   LMN  143  
LMN  HCD   HCD   H  0  1  N  N  N   0.713  59.081  36.874    8.274   -0.108  -1.614  HCD   LMN  144  
LMN  HCF   HCF   H  0  1  N  N  N   4.633  55.245  34.162    4.727   -1.709  -1.882  HCF   LMN  145  
LMN  HCH   HCH   H  0  1  N  N  N   4.527  57.771  34.098    5.063   -3.625  -0.243  HCH   LMN  146  
LMN  HCJ   HCJ   H  0  1  N  N  N   6.779  56.178  33.970    2.880   -2.335  -0.433  HCJ   LMN  147  
LMN  HCL   HCL   H  0  1  N  N  N   6.541  58.190  34.520    3.661   -3.204   1.739  HCL   LMN  148  
LMN  HCQ   HCQ   H  0  1  N  N  N   4.095  56.562  36.863    6.467   -1.025   0.533  HCQ   LMN  149  
LMN  HCR   HCR   H  0  1  N  N  N  14.913  61.265  39.035   -8.249    2.863   0.669  HCR   LMN  150  
LMN  HCS   HCS   H  0  1  N  N  N   2.454  57.918  33.823    8.194   -2.960   0.635  HCS   LMN  151  
LMN  HCN   HCN   H  0  1  N  N  N  15.324  62.996  39.599  -11.204    0.961  -1.393  HCN   LMN  152  
LMN  HCO   HCO   H  0  1  N  N  N   0.929  60.466  34.124   11.168   -1.058  -1.397  HCO   LMN  153  
LMN  HCT   HCT   H  0  1  N  N  N  15.753  64.184  36.759   -8.854    2.126  -2.958  HCT   LMN  154  
LMN  HCU   HCU   H  0  1  N  N  N  -1.320  58.578  34.877    8.811   -2.183  -2.982  HCU   LMN  155  
LMN  HCV   HCV   H  0  1  N  N  N  16.483  61.358  37.051  -10.372    3.212  -0.539  HCV   LMN  156  
LMN  HCW   HCW   H  0  1  N  N  N   0.401  56.703  33.845   10.316   -3.312  -0.574  HCW   LMN  157  
#   #
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
_chem_comp_bond.pdbx_aromatic_flag
_chem_comp_bond.pdbx_stereo_config
_chem_comp_bond.pdbx_ordinal
LMN  O5    C1    SING  N  N    1  
LMN  C2    C1    SING  N  N    2  
LMN  C1    O1    SING  N  N    3  
LMN  C1    H1    SING  N  N    4  
LMN  CBS   O1    SING  N  N    5  
LMN  H2    C2    SING  N  N    6  
LMN  C2    C3    SING  N  N    7  
LMN  C2    O2    SING  N  N    8  
LMN  HO2   O2    SING  N  N    9  
LMN  O3    C3    SING  N  N   10  
LMN  C4    C3    SING  N  N   11  
LMN  C3    H3    SING  N  N   12  
LMN  HO3   O3    SING  N  N   13  
LMN  C5    C4    SING  N  N   14  
LMN  H4    C4    SING  N  N   15  
LMN  C4    O4    SING  N  N   16  
LMN  O4    CCR   SING  N  N   17  
LMN  C6    C5    SING  N  N   18  
LMN  C5    H5    SING  N  N   19  
LMN  C5    O5    SING  N  N   20  
LMN  O6    C6    SING  N  N   21  
LMN  H6A   C6    SING  N  N   22  
LMN  H6    C6    SING  N  N   23  
LMN  HO6   O6    SING  N  N   24  
LMN  HAAB  CAA   SING  N  N   25  
LMN  CAW   CAA   SING  N  N   26  
LMN  CAA   HAA   SING  N  N   27  
LMN  CAA   HAAA  SING  N  N   28  
LMN  HABB  CAB   SING  N  N   29  
LMN  CAB   HABA  SING  N  N   30  
LMN  CAB   CAX   SING  N  N   31  
LMN  CAB   HAB   SING  N  N   32  
LMN  CBM   OAI   SING  N  N   33  
LMN  HOAI  OAI   SING  N  N   34  
LMN  HOAJ  OAJ   SING  N  N   35  
LMN  CBN   OAJ   SING  N  N   36  
LMN  HOAL  OAL   SING  N  N   37  
LMN  OAL   CBP   SING  N  N   38  
LMN  CCH   OAN   SING  N  N   39  
LMN  OAN   HOAN  SING  N  N   40  
LMN  CCL   OAP   SING  N  N   41  
LMN  HOAP  OAP   SING  N  N   42  
LMN  CCN   OAQ   SING  N  N   43  
LMN  OAQ   HOAQ  SING  N  N   44  
LMN  CCO   OAR   SING  N  N   45  
LMN  HOAR  OAR   SING  N  N   46  
LMN  HOAS  OAS   SING  N  N   47  
LMN  CCT   OAS   SING  N  N   48  
LMN  HOAT  OAT   SING  N  N   49  
LMN  OAT   CCU   SING  N  N   50  
LMN  HOAU  OAU   SING  N  N   51  
LMN  OAU   CCV   SING  N  N   52  
LMN  CCW   OAV   SING  N  N   53  
LMN  OAV   HOAV  SING  N  N   54  
LMN  CAY   CAW   SING  N  N   55  
LMN  CAW   HAW   SING  N  N   56  
LMN  CAW   HAWA  SING  N  N   57  
LMN  CAZ   CAX   SING  N  N   58  
LMN  HAXA  CAX   SING  N  N   59  
LMN  CAX   HAX   SING  N  N   60  
LMN  HAYA  CAY   SING  N  N   61  
LMN  CBA   CAY   SING  N  N   62  
LMN  CAY   HAY   SING  N  N   63  
LMN  HAZA  CAZ   SING  N  N   64  
LMN  CAZ   CBB   SING  N  N   65  
LMN  CAZ   HAZ   SING  N  N   66  
LMN  HBA   CBA   SING  N  N   67  
LMN  HBAA  CBA   SING  N  N   68  
LMN  CBA   CBC   SING  N  N   69  
LMN  CBD   CBB   SING  N  N   70  
LMN  CBB   HBB   SING  N  N   71  
LMN  CBB   HBBA  SING  N  N   72  
LMN  CBE   CBC   SING  N  N   73  
LMN  CBC   HBCA  SING  N  N   74  
LMN  CBC   HBC   SING  N  N   75  
LMN  HBD   CBD   SING  N  N   76  
LMN  CBF   CBD   SING  N  N   77  
LMN  CBD   HBDA  SING  N  N   78  
LMN  HBE   CBE   SING  N  N   79  
LMN  CBE   HBEA  SING  N  N   80  
LMN  CBE   CBG   SING  N  N   81  
LMN  HBFA  CBF   SING  N  N   82  
LMN  CBH   CBF   SING  N  N   83  
LMN  CBF   HBF   SING  N  N   84  
LMN  CBI   CBG   SING  N  N   85  
LMN  HBGA  CBG   SING  N  N   86  
LMN  CBG   HBG   SING  N  N   87  
LMN  HBHA  CBH   SING  N  N   88  
LMN  HBH   CBH   SING  N  N   89  
LMN  CBH   CBJ   SING  N  N   90  
LMN  CBK   CBI   SING  N  N   91  
LMN  HBI   CBI   SING  N  N   92  
LMN  CBI   HBIA  SING  N  N   93  
LMN  CBL   CBJ   SING  N  N   94  
LMN  CBJ   HBJ   SING  N  N   95  
LMN  CBJ   HBJA  SING  N  N   96  
LMN  HBKA  CBK   SING  N  N   97  
LMN  CBQ   CBK   SING  N  N   98  
LMN  CBK   HBK   SING  N  N   99  
LMN  HBL   CBL   SING  N  N  100  
LMN  HBLA  CBL   SING  N  N  101  
LMN  CBL   CBR   SING  N  N  102  
LMN  CCC   CBM   SING  N  N  103  
LMN  HBM   CBM   SING  N  N  104  
LMN  CBM   HBMA  SING  N  N  105  
LMN  HBNA  CBN   SING  N  N  106  
LMN  CCD   CBN   SING  N  N  107  
LMN  CBN   HBN   SING  N  N  108  
LMN  CCF   CBP   SING  N  N  109  
LMN  CBP   HBPA  SING  N  N  110  
LMN  CBP   HBP   SING  N  N  111  
LMN  CCM   CBQ   SING  N  N  112  
LMN  HBQ   CBQ   SING  N  N  113  
LMN  CBQ   HBQA  SING  N  N  114  
LMN  HBRA  CBR   SING  N  N  115  
LMN  CBR   HBR   SING  N  N  116  
LMN  CBR   CCM   SING  N  N  117  
LMN  HBS   CBS   SING  N  N  118  
LMN  HBSA  CBS   SING  N  N  119  
LMN  CBS   CCM   SING  N  N  120  
LMN  OBV   CBT   SING  N  N  121  
LMN  CCM   CBT   SING  N  N  122  
LMN  CBT   HBT   SING  N  N  123  
LMN  CBT   HBTA  SING  N  N  124  
LMN  CCJ   OBV   SING  N  N  125  
LMN  CCJ   OBX   SING  N  N  126  
LMN  CCF   OBX   SING  N  N  127  
LMN  CCR   OBY   SING  N  N  128  
LMN  OBY   CCC   SING  N  N  129  
LMN  CCS   OBZ   SING  N  N  130  
LMN  OBZ   CCD   SING  N  N  131  
LMN  CCS   OCB   SING  N  N  132  
LMN  OCB   CCQ   SING  N  N  133  
LMN  HCC   CCC   SING  N  N  134  
LMN  CCC   CCN   SING  N  N  135  
LMN  CCO   CCD   SING  N  N  136  
LMN  CCD   HCD   SING  N  N  137  
LMN  HCF   CCF   SING  N  N  138  
LMN  CCF   CCQ   SING  N  N  139  
LMN  HCH   CCH   SING  N  N  140  
LMN  CCH   CCL   SING  N  N  141  
LMN  CCH   CCQ   SING  N  N  142  
LMN  HCJ   CCJ   SING  N  N  143  
LMN  CCJ   CCL   SING  N  N  144  
LMN  CCL   HCL   SING  N  N  145  
LMN  CCT   CCN   SING  N  N  146  
LMN  CCN   HCN   SING  N  N  147  
LMN  CCU   CCO   SING  N  N  148  
LMN  CCO   HCO   SING  N  N  149  
LMN  CCQ   HCQ   SING  N  N  150  
LMN  CCV   CCR   SING  N  N  151  
LMN  CCR   HCR   SING  N  N  152  
LMN  HCS   CCS   SING  N  N  153  
LMN  CCW   CCS   SING  N  N  154  
LMN  CCV   CCT   SING  N  N  155  
LMN  CCT   HCT   SING  N  N  156  
LMN  CCU   CCW   SING  N  N  157  
LMN  CCU   HCU   SING  N  N  158  
LMN  CCV   HCV   SING  N  N  159  
LMN  CCW   HCW   SING  N  N  160  
#   #
loop_
_pdbx_chem_comp_descriptor.comp_id
_pdbx_chem_comp_descriptor.type
_pdbx_chem_comp_descriptor.program
_pdbx_chem_comp_descriptor.program_version
_pdbx_chem_comp_descriptor.descriptor
LMN  SMILES            ACDLabs               12.01  "O(CC(CCCCCCCCCC)(CCCCCCCCCC)COC2OC(CO)C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO"  
LMN  InChI             InChI                 1.03   "InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40+,41-,42-,43-,44-,45-,46-/m0/s1"  
LMN  InChIKey          InChI                 1.03   MADJBYLAYPCCOO-XYPZXBMFSA-N  
LMN  SMILES_CANONICAL  CACTVS                3.385  "CCCCCCCCCCC(CCCCCCCCCC)(CO[C@H]1O[C@@H](CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O)CO[C@H]3O[C@@H](CO)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@H]3O"  
LMN  SMILES            CACTVS                3.385  "CCCCCCCCCCC(CCCCCCCCCC)(CO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O)CO[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O"  
LMN  SMILES_CANONICAL  "OpenEye OEToolkits"  1.9.2  "CCCCCCCCCCC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)CO)O)O)O)O)O)CO[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H]([C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O"  
LMN  SMILES            "OpenEye OEToolkits"  1.9.2  "CCCCCCCCCCC(CCCCCCCCCC)(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O"  
#   #
loop_
_pdbx_chem_comp_identifier.comp_id
_pdbx_chem_comp_identifier.type
_pdbx_chem_comp_identifier.program
_pdbx_chem_comp_identifier.program_version
_pdbx_chem_comp_identifier.identifier
LMN  "SYSTEMATIC NAME"  ACDLabs               12.01  "2-decyl-2-({[4-O-(alpha-L-glucopyranosyl)-beta-L-mannopyranosyl]oxy}methyl)dodecyl 4-O-alpha-L-glucopyranosyl-beta-L-glucopyranoside"  
LMN  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.9.2  "(2S,3S,4R,5R,6S)-2-[(2S,3R,4S,5S,6S)-6-[2-decyl-2-[[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-5-[(2S,3S,4R,5R,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxymethyl]dodecoxy]-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
LMN  "Create component"               2012-09-12  EBI   
LMN  "Initial release"                2012-11-30  RCSB  
LMN  "Modify model coordinates code"  2012-12-12  EBI   
LMN  "Modify descriptor"              2014-09-05  RCSB  
LMN  "Modify synonyms"                2020-06-05  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     LMN
_pdbx_chem_comp_synonyms.name        "2,2-didecylpropane-1,3-bis-b-D-maltopyranoside"
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
