data_PGW
# 
_chem_comp.id                                    PGW 
_chem_comp.name                                  "(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H77 O10 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)]; PHOSPHATIDYLGLYCEROL" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2007-11-02 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        749.007 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PGW 
_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        2RL5 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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 
PGW CAD  C1  C 0 1 N N N -21.007 61.881 145.658 -4.601  3.593   -4.563 CAD  PGW 1   
PGW OAE  O1  O 0 1 N N N -21.200 61.619 144.265 -5.293  2.459   -5.092 OAE  PGW 2   
PGW OAF  O2  O 0 1 N N N -19.558 59.946 145.912 -4.739  2.783   -2.291 OAF  PGW 3   
PGW P    P1  P 0 1 N N S -22.851 57.274 146.985 -1.158  4.926   -0.954 P    PGW 4   
PGW C01  C2  C 0 1 N N N -20.793 54.359 149.318 -0.440  3.143   2.940  C01  PGW 5   
PGW C1   C3  C 0 1 N N N -22.166 55.670 152.407 2.930   2.964   1.628  C1   PGW 6   
PGW O01  O3  O 0 1 N N N -21.301 55.214 151.464 1.606   2.751   1.679  O01  PGW 7   
PGW C02  C4  C 0 1 N N R -21.816 55.139 150.124 0.795   3.782   2.303  C02  PGW 8   
PGW C2   C5  C 0 1 N N N -21.914 55.237 153.856 3.835   1.939   0.995  C2   PGW 9   
PGW O02  O4  O 0 1 N N N -23.116 56.386 152.097 3.397   3.979   2.089  O02  PGW 10  
PGW C03  C6  C 0 1 N N N -22.146 56.459 149.425 0.356   4.796   1.244  C03  PGW 11  
PGW C3   C7  C 0 1 N N N -21.002 56.191 154.630 5.284   2.424   1.067  C3   PGW 12  
PGW O03  O5  O 0 1 N N N -20.779 53.120 150.042 -1.279  2.570   1.903  O03  PGW 13  
PGW C04  C8  C 0 1 N N N -21.927 59.618 146.225 -2.985  4.358   -2.819 C04  PGW 14  
PGW C4   C9  C 0 1 N N N -20.667 55.615 156.009 6.203   1.382   0.425  C4   PGW 15  
PGW O04  O6  O 0 1 N N N -19.233 52.318 148.596 -2.692  1.919   3.473  O04  PGW 16  
PGW C05  C10 C 0 1 N N S -20.745 60.571 146.408 -3.823  3.178   -3.314 C05  PGW 17  
PGW C5   C11 C 0 1 N N N -19.818 56.598 156.817 7.652   1.867   0.497  C5   PGW 18  
PGW C06  C12 C 0 1 N N N -15.436 55.803 161.742 12.958  -1.440  0.269  C06  PGW 19  
PGW C6   C13 C 0 1 N N N -19.320 56.003 158.136 8.571   0.825   -0.145 C6   PGW 20  
PGW C07  C14 C 0 1 N N N -14.232 55.645 162.689 13.980  -2.388  -0.362 C07  PGW 21  
PGW C7   C15 C 0 1 N N N -18.433 57.025 158.848 10.020  1.310   -0.073 C7   PGW 22  
PGW C08  C16 C 0 1 N N N -13.089 56.565 162.223 13.646  -3.830  0.027  C08  PGW 23  
PGW C8   C17 C 0 1 N N N -17.710 56.431 160.057 10.939  0.269   -0.715 C8   PGW 24  
PGW C09  C18 C 0 1 N N N -11.994 55.720 161.545 14.667  -4.778  -0.604 C09  PGW 25  
PGW C9   C19 C 0 1 N N N -16.763 57.478 160.645 12.366  0.746   -0.644 C9   PGW 26  
PGW C10  C20 C 0 1 N N N -15.873 57.279 161.707 13.288  -0.020  -0.114 C10  PGW 27  
PGW C11  C21 C 0 1 N N N -10.896 55.384 162.571 14.333  -6.220  -0.215 C11  PGW 28  
PGW O11  O7  O 0 1 N N N -22.353 56.166 148.041 -0.506  4.156   0.301  O11  PGW 29  
PGW C12  C22 C 0 1 N N N -9.700  56.332 162.370 15.354  -7.168  -0.846 C12  PGW 30  
PGW O12  O8  O 0 1 N N N -21.710 58.411 146.960 -2.170  3.938   -1.723 O12  PGW 31  
PGW C13  C23 C 0 1 N N N -8.499  55.535 161.828 15.020  -8.609  -0.458 C13  PGW 32  
PGW O13  O9  O 0 1 N N N -24.171 57.946 147.618 0.008   5.392   -1.962 O13  PGW 33  
PGW C14  C24 C 0 1 N N N -7.288  55.736 162.758 16.041  -9.558  -1.089 C14  PGW 34  
PGW O14  O10 O 0 1 N N N -23.079 56.696 145.641 -1.898  6.114   -0.473 O14  PGW 35  
PGW C15  C25 C 0 1 N N N -14.353 52.546 159.615 -11.902 -3.623  -0.029 C15  PGW 36  
PGW C16  C26 C 0 1 N N N -13.168 53.329 160.211 -13.109 -4.239  0.680  C16  PGW 37  
PGW C17  C27 C 0 1 N N N -12.002 53.339 159.205 -14.044 -4.866  -0.356 C17  PGW 38  
PGW C18  C28 C 0 1 N N N -10.749 52.737 159.867 -15.252 -5.483  0.353  C18  PGW 39  
PGW C19  C29 C 0 1 N N N -19.733 52.314 149.720 -2.411  1.967   2.298  C19  PGW 40  
PGW C20  C30 C 0 1 N N N -19.261 51.371 150.827 -3.332  1.349   1.278  C20  PGW 41  
PGW C21  C31 C 0 1 N N N -18.250 52.153 151.668 -4.539  0.733   1.987  C21  PGW 42  
PGW C22  C32 C 0 1 N N N -17.893 51.453 152.979 -5.474  0.106   0.951  C22  PGW 43  
PGW C23  C33 C 0 1 N N N -17.023 52.388 153.822 -6.682  -0.510  1.660  C23  PGW 44  
PGW C24  C34 C 0 1 N N N -16.712 51.785 155.194 -7.617  -1.137  0.624  C24  PGW 45  
PGW C25  C35 C 0 1 N N N -15.883 52.751 156.042 -8.824  -1.753  1.334  C25  PGW 46  
PGW C26  C36 C 0 1 N N N -15.562 52.161 157.417 -9.759  -2.380  0.298  C26  PGW 47  
PGW C27  C37 C 0 1 N N N -14.716 53.135 158.239 -10.967 -2.996  1.007  C27  PGW 48  
PGW C28  C38 C 0 1 N N N -9.634  53.799 159.912 -16.187 -6.110  -0.683 C28  PGW 49  
PGW C29  C39 C 0 1 N N N -7.203  53.194 160.128 -18.329 -7.353  -1.009 C29  PGW 50  
PGW C30  C40 C 0 1 N N N -8.397  53.275 159.159 -17.394 -6.726  0.027  C30  PGW 51  
PGW HAD  H1  H 0 1 N N N -21.910 62.359 146.066 -3.909  3.978   -5.312 HAD  PGW 52  
PGW HADA H2  H 0 0 N N N -20.141 62.548 145.783 -5.322  4.368   -4.302 HADA PGW 53  
PGW HOAE H3  H 0 0 N N N -21.243 62.441 143.791 -5.809  2.649   -5.888 HOAE PGW 54  
PGW HOAF H4  H 0 0 N N N -19.640 59.807 144.976 -5.356  3.478   -2.025 HOAF PGW 55  
PGW H01  H5  H 0 1 N N N -19.808 54.848 149.299 -0.128  2.359   3.630  H01  PGW 56  
PGW H01A H6  H 0 0 N N N -21.036 54.259 148.250 -1.002  3.903   3.484  H01A PGW 57  
PGW H02  H7  H 0 1 N N N -22.801 54.655 150.191 1.380   4.288   3.070  H02  PGW 58  
PGW H2   H8  H 0 1 N N N -22.883 55.195 154.374 3.741   0.993   1.529  H2   PGW 59  
PGW H2A  H9  H 0 1 N N N -21.408 54.261 153.820 3.550   1.797   -0.047 H2A  PGW 60  
PGW H03  H10 H 0 1 N N N -23.054 56.903 149.860 -0.176  5.616   1.725  H03  PGW 61  
PGW H03A H11 H 0 0 N N N -21.326 57.181 149.551 1.234   5.185   0.728  H03A PGW 62  
PGW H3   H12 H 0 1 N N N -20.070 56.336 154.064 5.378   3.369   0.534  H3   PGW 63  
PGW H3A  H13 H 0 1 N N N -21.522 57.151 154.762 5.569   2.565   2.110  H3A  PGW 64  
PGW H04  H14 H 0 1 N N N -22.843 60.104 146.591 -2.349  4.717   -3.629 H04  PGW 65  
PGW H04A H15 H 0 0 N N N -22.028 59.374 145.157 -3.645  5.162   -2.494 H04A PGW 66  
PGW H4   H16 H 0 1 N N N -21.603 55.419 156.553 6.109   0.436   0.959  H4   PGW 67  
PGW H4A  H17 H 0 1 N N N -20.097 54.684 155.874 5.919   1.240   -0.618 H4A  PGW 68  
PGW H05  H18 H 0 1 N N N -20.618 60.800 147.476 -3.166  2.342   -3.556 H05  PGW 69  
PGW H5   H19 H 0 1 N N N -18.944 56.881 156.212 7.746   2.812   -0.036 H5   PGW 70  
PGW H5A  H20 H 0 1 N N N -20.450 57.465 157.059 7.937   2.008   1.540  H5A  PGW 71  
PGW H06  H21 H 0 1 N N N -15.150 55.481 160.730 11.960  -1.691  -0.089 H06  PGW 72  
PGW H06A H22 H 0 0 N N N -16.270 55.183 162.103 12.991  -1.540  1.354  H06A PGW 73  
PGW H6   H23 H 0 1 N N N -20.180 55.754 158.775 8.477   -0.120  0.389  H6   PGW 74  
PGW H6A  H24 H 0 1 N N N -18.741 55.090 157.933 8.287   0.684   -1.188 H6A  PGW 75  
PGW H07  H25 H 0 1 N N N -14.531 55.920 163.711 13.947  -2.288  -1.447 H07  PGW 76  
PGW H07A H26 H 0 0 N N N -13.890 54.600 162.676 14.978  -2.138  -0.004 H07A PGW 77  
PGW H7   H27 H 0 1 N N N -17.679 57.389 158.135 10.114  2.256   -0.606 H7   PGW 78  
PGW H7A  H28 H 0 1 N N N -19.080 57.838 159.210 10.304  1.452   0.970  H7A  PGW 79  
PGW H08  H29 H 0 1 N N N -13.480 57.302 161.506 13.678  -3.930  1.112  H08  PGW 80  
PGW H08A H30 H 0 0 N N N -12.663 57.089 163.091 12.647  -4.080  -0.331 H08A PGW 81  
PGW H8   H31 H 0 1 N N N -18.448 56.134 160.817 10.845  -0.677  -0.181 H8   PGW 82  
PGW H8A  H32 H 0 1 N N N -17.134 55.548 159.744 10.655  0.127   -1.758 H8A  PGW 83  
PGW H09  H33 H 0 1 N N N -12.435 54.788 161.161 14.634  -4.677  -1.689 H09  PGW 84  
PGW H09A H34 H 0 0 N N N -11.556 56.288 160.712 15.665  -4.527  -0.246 H09A PGW 85  
PGW H11  H35 H 0 1 N N N -11.295 55.507 163.589 14.365  -6.320  0.869  H11  PGW 86  
PGW H11A H36 H 0 0 N N N -10.568 54.344 162.430 13.334  -6.470  -0.574 H11A PGW 87  
PGW H12  H37 H 0 1 N N N -9.972  57.119 161.651 15.321  -7.067  -1.931 H12  PGW 88  
PGW H12A H38 H 0 0 N N N -9.431  56.792 163.332 16.352  -6.917  -0.488 H12A PGW 89  
PGW H13  H39 H 0 1 N N N -8.756  54.466 161.787 15.052  -8.710  0.627  H13  PGW 90  
PGW H13A H40 H 0 0 N N N -8.249  55.891 160.818 14.021  -8.860  -0.816 H13A PGW 91  
PGW HO13 H41 H 0 0 N N N -24.044 58.078 148.550 0.535   4.663   -2.318 HO13 PGW 92  
PGW H14  H42 H 0 1 N N N -6.368  55.784 162.157 16.009  -9.457  -2.174 H14  PGW 93  
PGW H14A H43 H 0 0 N N N -7.409  56.674 163.319 17.039  -9.307  -0.730 H14A PGW 94  
PGW H14B H44 H 0 0 N N N -7.223  54.893 163.462 15.803  -10.585 -0.812 H14B PGW 95  
PGW H15  H45 H 0 1 N N N -14.073 51.489 159.499 -11.368 -4.399  -0.578 H15  PGW 96  
PGW H15A H46 H 0 0 N N N -15.220 52.624 160.288 -12.241 -2.855  -0.724 H15A PGW 97  
PGW H16  H47 H 0 1 N N N -13.480 54.363 160.421 -12.769 -5.008  1.375  H16  PGW 98  
PGW H16A H48 H 0 0 N N N -12.843 52.847 161.145 -13.643 -3.464  1.229  H16A PGW 99  
PGW H17  H49 H 0 1 N N N -12.274 52.741 158.322 -14.384 -4.098  -1.051 H17  PGW 100 
PGW H17A H50 H 0 0 N N N -11.793 54.374 158.896 -13.510 -5.642  -0.905 H17A PGW 101 
PGW H18  H51 H 0 1 N N N -10.993 52.417 160.891 -14.912 -6.251  1.048  H18  PGW 102 
PGW H18A H52 H 0 0 N N N -10.407 51.869 159.284 -15.785 -4.707  0.902  H18A PGW 103 
PGW H20  H53 H 0 1 N N N -20.111 51.052 151.448 -3.672  2.118   0.583  H20  PGW 104 
PGW H20A H54 H 0 0 N N N -18.805 50.463 150.405 -2.798  0.574   0.729  H20A PGW 105 
PGW H21  H55 H 0 1 N N N -17.329 52.272 151.078 -4.200  -0.035  2.682  H21  PGW 106 
PGW H21A H56 H 0 0 N N N -18.710 53.119 151.924 -5.073  1.509   2.536  H21A PGW 107 
PGW H22  H57 H 0 1 N N N -18.813 51.208 153.530 -5.814  0.874   0.256  H22  PGW 108 
PGW H22A H58 H 0 0 N N N -17.343 50.525 152.766 -4.940  -0.670  0.402  H22A PGW 109 
PGW H23  H59 H 0 1 N N N -16.076 52.565 153.291 -6.342  -1.278  2.355  H23  PGW 110 
PGW H23A H60 H 0 0 N N N -17.574 53.327 153.975 -7.216  0.266   2.209  H23A PGW 111 
PGW H24  H61 H 0 1 N N N -17.658 51.574 155.714 -7.957  -0.369  -0.071 H24  PGW 112 
PGW H24A H62 H 0 0 N N N -16.134 50.860 155.049 -7.083  -1.913  0.075  H24A PGW 113 
PGW H25  H63 H 0 1 N N N -14.939 52.961 155.518 -8.484  -2.521  2.028  H25  PGW 114 
PGW H25A H64 H 0 0 N N N -16.468 53.671 156.189 -9.358  -0.977  1.882  H25A PGW 115 
PGW H26  H65 H 0 1 N N N -16.503 51.963 157.951 -10.099 -1.612  -0.397 H26  PGW 116 
PGW H26A H66 H 0 0 N N N -14.995 51.229 157.279 -9.225  -3.156  -0.251 H26A PGW 117 
PGW H27  H67 H 0 1 N N N -13.788 53.349 157.689 -11.501 -2.220  1.556  H27  PGW 118 
PGW H27A H68 H 0 0 N N N -15.302 54.052 158.399 -10.627 -3.764  1.702  H27A PGW 119 
PGW H28  H69 H 0 1 N N N -9.989  54.724 159.435 -16.526 -5.342  -1.378 H28  PGW 120 
PGW H28A H70 H 0 0 N N N -9.366  54.006 160.959 -15.653 -6.886  -1.231 H28A PGW 121 
PGW H29  H71 H 0 1 N N N -6.265  53.175 159.554 -17.795 -8.129  -1.558 H29  PGW 122 
PGW H29A H72 H 0 0 N N N -7.209  54.072 160.791 -19.189 -7.792  -0.504 H29A PGW 123 
PGW H29B H73 H 0 0 N N N -7.282  52.278 160.731 -18.669 -6.585  -1.704 H29B PGW 124 
PGW H30  H74 H 0 1 N N N -8.610  52.274 158.755 -17.054 -7.494  0.721  H30  PGW 125 
PGW H30A H75 H 0 0 N N N -8.153  53.959 158.333 -17.928 -5.950  0.575  H30A PGW 126 
PGW H9   H76 H 0 1 N N N -16.783 58.462 160.200 12.630  1.720   -1.030 H9   PGW 127 
PGW H10  H77 H 0 1 N N N -15.544 58.043 162.396 14.283  0.366   0.049  H10  PGW 128 
# 
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 
PGW CAD C05  SING N N 1   
PGW CAD HAD  SING N N 2   
PGW CAD HADA SING N N 3   
PGW OAE CAD  SING N N 4   
PGW OAE HOAE SING N N 5   
PGW OAF C05  SING N N 6   
PGW OAF HOAF SING N N 7   
PGW P   O13  SING N N 8   
PGW P   O11  SING N N 9   
PGW C01 O03  SING N N 10  
PGW C01 C02  SING N N 11  
PGW C01 H01  SING N N 12  
PGW C01 H01A SING N N 13  
PGW C1  C2   SING N N 14  
PGW O01 C1   SING N N 15  
PGW C02 O01  SING N N 16  
PGW C02 H02  SING N N 17  
PGW C2  C3   SING N N 18  
PGW C2  H2   SING N N 19  
PGW C2  H2A  SING N N 20  
PGW O02 C1   DOUB N N 21  
PGW C03 C02  SING N N 22  
PGW C03 H03  SING N N 23  
PGW C03 H03A SING N N 24  
PGW C3  C4   SING N N 25  
PGW C3  H3   SING N N 26  
PGW C3  H3A  SING N N 27  
PGW C04 C05  SING N N 28  
PGW C04 O12  SING N N 29  
PGW C04 H04  SING N N 30  
PGW C04 H04A SING N N 31  
PGW C4  C5   SING N N 32  
PGW C4  H4   SING N N 33  
PGW C4  H4A  SING N N 34  
PGW O04 C19  DOUB N N 35  
PGW C05 H05  SING N N 36  
PGW C5  C6   SING N N 37  
PGW C5  H5   SING N N 38  
PGW C5  H5A  SING N N 39  
PGW C06 C07  SING N N 40  
PGW C06 H06  SING N N 41  
PGW C06 H06A SING N N 42  
PGW C6  C7   SING N N 43  
PGW C6  H6   SING N N 44  
PGW C6  H6A  SING N N 45  
PGW C07 H07  SING N N 46  
PGW C07 H07A SING N N 47  
PGW C7  C8   SING N N 48  
PGW C7  H7   SING N N 49  
PGW C7  H7A  SING N N 50  
PGW C08 C07  SING N N 51  
PGW C08 H08  SING N N 52  
PGW C08 H08A SING N N 53  
PGW C8  C9   SING N N 54  
PGW C8  H8   SING N N 55  
PGW C8  H8A  SING N N 56  
PGW C09 C08  SING N N 57  
PGW C09 C11  SING N N 58  
PGW C09 H09  SING N N 59  
PGW C09 H09A SING N N 60  
PGW C9  C10  DOUB N Z 61  
PGW C10 C06  SING N N 62  
PGW C11 H11  SING N N 63  
PGW C11 H11A SING N N 64  
PGW O11 C03  SING N N 65  
PGW C12 C11  SING N N 66  
PGW C12 H12  SING N N 67  
PGW C12 H12A SING N N 68  
PGW O12 P    SING N N 69  
PGW C13 C12  SING N N 70  
PGW C13 C14  SING N N 71  
PGW C13 H13  SING N N 72  
PGW C13 H13A SING N N 73  
PGW O13 HO13 SING N N 74  
PGW C14 H14  SING N N 75  
PGW C14 H14A SING N N 76  
PGW C14 H14B SING N N 77  
PGW O14 P    DOUB N N 78  
PGW C15 C16  SING N N 79  
PGW C15 H15  SING N N 80  
PGW C15 H15A SING N N 81  
PGW C16 H16  SING N N 82  
PGW C16 H16A SING N N 83  
PGW C17 C16  SING N N 84  
PGW C17 C18  SING N N 85  
PGW C17 H17  SING N N 86  
PGW C17 H17A SING N N 87  
PGW C18 C28  SING N N 88  
PGW C18 H18  SING N N 89  
PGW C18 H18A SING N N 90  
PGW C19 O03  SING N N 91  
PGW C19 C20  SING N N 92  
PGW C20 C21  SING N N 93  
PGW C20 H20  SING N N 94  
PGW C20 H20A SING N N 95  
PGW C21 C22  SING N N 96  
PGW C21 H21  SING N N 97  
PGW C21 H21A SING N N 98  
PGW C22 C23  SING N N 99  
PGW C22 H22  SING N N 100 
PGW C22 H22A SING N N 101 
PGW C23 C24  SING N N 102 
PGW C23 H23  SING N N 103 
PGW C23 H23A SING N N 104 
PGW C24 C25  SING N N 105 
PGW C24 H24  SING N N 106 
PGW C24 H24A SING N N 107 
PGW C25 C26  SING N N 108 
PGW C25 H25  SING N N 109 
PGW C25 H25A SING N N 110 
PGW C26 C27  SING N N 111 
PGW C26 H26  SING N N 112 
PGW C26 H26A SING N N 113 
PGW C27 C15  SING N N 114 
PGW C27 H27  SING N N 115 
PGW C27 H27A SING N N 116 
PGW C28 H28  SING N N 117 
PGW C28 H28A SING N N 118 
PGW C29 H29  SING N N 119 
PGW C29 H29A SING N N 120 
PGW C29 H29B SING N N 121 
PGW C30 C28  SING N N 122 
PGW C30 C29  SING N N 123 
PGW C30 H30  SING N N 124 
PGW C30 H30A SING N N 125 
PGW C9  H9   SING N N 126 
PGW C10 H10  SING N N 127 
# 
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 
PGW SMILES           ACDLabs              10.04 O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC\C=C/CCCCCCCC 
PGW InChI            InChI                1.02b 
InChI=1/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1/f/h45H 
PGW InChIKey         InChI                1.02b PAZGBAOHGQRCBP-RIYJSYCXDW 
PGW SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCC\C=C/CCCCCCCC 
PGW SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC 
PGW SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC 
PGW SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC 
# 
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 
PGW "SYSTEMATIC NAME" ACDLabs              10.04 "(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate" 
PGW "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] octadec-9-enoate"                 
# 
