data_HGX
# 
_chem_comp.id                                    HGX 
_chem_comp.name                                  "1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C38 H77 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     2004-10-06 
_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                        706.994 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     HGX 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1TMX 
_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 
HGX O11  O11  O 0 1 N N N 41.057 15.128 28.108 12.852 -2.607 -0.627 O11  HGX 1   
HGX C11  C11  C 0 1 N N N 40.340 16.094 28.220 13.466 -1.833 0.096  C11  HGX 2   
HGX C12  C12  C 0 1 N N N 39.305 16.417 27.180 14.968 -1.837 0.243  C12  HGX 3   
HGX C13  C13  C 0 1 N N N 38.534 15.193 26.717 15.641 -2.866 -0.661 C13  HGX 4   
HGX C14  C14  C 0 1 N N N 37.195 15.676 26.187 17.164 -2.882 -0.497 C14  HGX 5   
HGX C15  C15  C 0 1 N N N 36.728 14.911 24.974 17.812 -3.901 -1.437 C15  HGX 6   
HGX C16  C16  C 0 1 N N N 35.371 15.465 24.541 19.330 -3.943 -1.245 C16  HGX 7   
HGX C17  C17  C 0 1 N N N 34.783 14.709 23.368 20.023 -5.010 -2.097 C17  HGX 8   
HGX C18  C18  C 0 1 N N N 33.603 15.490 22.809 21.551 -5.059 -1.994 C18  HGX 9   
HGX C19  C19  C 0 1 N N N 32.506 14.550 22.340 22.190 -6.107 -2.909 C19  HGX 10  
HGX C20  C20  C 0 1 N N N 31.214 15.312 22.062 23.714 -6.115 -2.757 C20  HGX 11  
HGX C21  C21  C 0 1 N N N 30.474 15.683 23.353 24.412 -7.123 -3.675 C21  HGX 12  
HGX C22  C22  C 0 1 N N N 29.302 14.746 23.620 25.926 -7.183 -3.471 C22  HGX 13  
HGX C23  C23  C 0 1 N N N ?      ?      ?      26.573 -8.187 -4.413 C23  HGX 14  
HGX O3   O3   O 0 1 N N N 40.499 16.964 29.369 12.915 -0.857 0.878  O3   HGX 15  
HGX C3   C3   C 0 1 N N N 41.874 17.307 29.565 11.496 -0.753 0.828  C3   HGX 16  
HGX C2   C2   C 0 1 N N R 42.105 18.045 30.893 11.050 0.375  1.750  C2   HGX 17  
HGX C1   C1   C 0 1 N N N 43.544 17.779 31.381 9.537  0.556  1.717  C1   HGX 18  
HGX O3P  O3P  O 0 1 N N N 44.518 18.245 30.432 9.116  0.874  0.395  O3P  HGX 19  
HGX O2   O2   O 0 1 N N N 41.157 17.585 31.900 11.667 1.585  1.298  O2   HGX 20  
HGX C31  C31  C 0 1 N N N 40.176 18.609 32.305 11.388 2.699  2.037  C31  HGX 21  
HGX O31  O31  O 0 1 N N N 40.277 19.742 31.866 11.139 2.722  3.235  O31  HGX 22  
HGX C32  C32  C 0 1 N N N 39.059 18.293 33.281 11.446 3.912  1.135  C32  HGX 23  
HGX C33  C33  C 0 1 N N N 37.854 17.611 32.615 10.480 5.006  1.587  C33  HGX 24  
HGX C34  C34  C 0 1 N N N 37.545 18.138 31.211 10.455 6.220  0.655  C34  HGX 25  
HGX C35  C35  C 0 1 N N N 36.063 17.976 30.899 9.435  7.283  1.068  C35  HGX 26  
HGX C36  C36  C 0 1 N N N 35.823 17.622 29.441 9.436  8.461  0.091  C36  HGX 27  
HGX C37  C37  C 0 1 N N N 34.344 17.434 29.197 8.440  9.541  0.521  C37  HGX 28  
HGX C38  C38  C 0 1 N N N 33.936 17.847 27.804 8.415  10.700 -0.478 C38  HGX 29  
HGX C39  C39  C 0 1 N N N 32.708 17.076 27.321 7.443  11.818 -0.090 C39  HGX 30  
HGX C40  C40  C 0 1 N N N 31.514 17.997 27.181 7.437  12.989 -1.076 C40  HGX 31  
HGX C42  C42  C 0 1 N N N 31.375 18.495 25.752 6.458  14.079 -0.632 C42  HGX 32  
HGX C43  C43  C 0 1 N N N 30.793 19.904 25.721 6.432  15.292 -1.567 C43  HGX 33  
HGX C44  C44  C 0 1 N N N 29.495 19.955 24.927 5.471  16.393 -1.111 C44  HGX 34  
HGX C45  C45  C 0 1 N N N 29.794 20.278 23.467 5.431  17.545 -2.117 C45  HGX 35  
HGX C46  C46  C 0 1 N N N 28.547 20.166 22.612 4.443  18.629 -1.683 C46  HGX 36  
HGX C47  C47  C 0 1 N N N 28.915 19.804 21.189 4.379  19.764 -2.705 C47  HGX 37  
HGX C48  C48  C 0 1 N N N 28.063 18.638 20.754 3.373  20.827 -2.293 C48  HGX 38  
HGX O1   O1   O 0 1 N N N ?      ?      ?      7.211  2.440  0.992  O1   HGX 39  
HGX P1   P1   P 0 1 N N R ?      ?      ?      7.539  1.110  0.129  P1   HGX 40  
HGX O4   O4   O 0 1 N N N ?      ?      ?      6.655  -0.061 0.448  O4   HGX 41  
HGX O5   O5   O 0 1 N N N ?      ?      ?      7.495  1.604  -1.412 O5   HGX 42  
HGX C4   C4   C 0 1 N N N ?      ?      ?      8.289  2.702  -1.828 C4   HGX 43  
HGX C5   C5   C 0 1 N N N ?      ?      ?      8.065  2.959  -3.305 C5   HGX 44  
HGX N1   N1   N 1 1 N N N ?      ?      ?      8.927  4.086  -3.743 N1   HGX 45  
HGX C6   C6   C 0 1 N N N ?      ?      ?      10.407 3.771  -3.486 C6   HGX 46  
HGX C7   C7   C 0 1 N N N ?      ?      ?      8.750  4.355  -5.243 C7   HGX 47  
HGX C8   C8   C 0 1 N N N ?      ?      ?      8.573  5.371  -2.982 C8   HGX 48  
HGX H121 1H12 H 0 0 N N N 38.591 17.134 27.612 15.214 -2.025 1.294  H121 HGX 49  
HGX H122 2H12 H 0 0 N N N 39.829 16.831 26.306 15.334 -0.829 0.015  H122 HGX 50  
HGX H131 1H13 H 0 0 N N N 39.090 14.671 25.924 15.395 -2.627 -1.703 H131 HGX 51  
HGX H132 2H13 H 0 0 N N N 38.391 14.487 27.548 15.240 -3.866 -0.459 H132 HGX 52  
HGX H141 1H14 H 0 0 N N N 36.445 15.554 26.982 17.425 -3.127 0.540  H141 HGX 53  
HGX H142 2H14 H 0 0 N N N 37.319 16.727 25.887 17.566 -1.883 -0.705 H142 HGX 54  
HGX H151 1H15 H 0 0 N N N 37.455 15.029 24.157 17.572 -3.636 -2.472 H151 HGX 55  
HGX H152 2H15 H 0 0 N N N 36.637 13.842 25.216 17.390 -4.896 -1.247 H152 HGX 56  
HGX H161 1H16 H 0 0 N N N 34.676 15.387 25.390 19.759 -2.956 -1.456 H161 HGX 57  
HGX H162 2H16 H 0 0 N N N 35.519 16.509 24.227 19.552 -4.155 -0.192 H162 HGX 58  
HGX H171 1H17 H 0 0 N N N 35.548 14.589 22.587 19.618 -5.991 -1.818 H171 HGX 59  
HGX H172 2H17 H 0 0 N N N 34.444 13.717 23.701 19.753 -4.855 -3.149 H172 HGX 60  
HGX H181 1H18 H 0 0 N N N 33.201 16.145 23.596 21.939 -4.068 -2.259 H181 HGX 61  
HGX H182 2H18 H 0 0 N N N 33.949 16.085 21.951 21.852 -5.238 -0.956 H182 HGX 62  
HGX H191 1H19 H 0 0 N N N 32.833 14.052 21.415 21.802 -7.102 -2.668 H191 HGX 63  
HGX H192 2H19 H 0 0 N N N 32.314 13.811 23.132 21.918 -5.890 -3.948 H192 HGX 64  
HGX H201 1H20 H 0 0 N N N 31.462 16.237 21.521 24.111 -5.110 -2.945 H201 HGX 65  
HGX H202 2H20 H 0 0 N N N 30.556 14.661 21.468 23.968 -6.366 -1.719 H202 HGX 66  
HGX H211 1H21 H 0 0 N N N 31.178 15.617 24.195 23.985 -8.114 -3.480 H211 HGX 67  
HGX H212 2H21 H 0 0 N N N 30.080 16.704 23.243 24.188 -6.883 -4.721 H212 HGX 68  
HGX H221 1H22 H 0 0 N N N 29.806 13.832 23.967 26.152 -7.465 -2.436 H221 HGX 69  
HGX H222 2H22 H 0 0 N N N 28.679 15.466 24.171 26.374 -6.199 -3.647 H222 HGX 70  
HGX H231 1H23 H 0 0 N N N ?      ?      ?      26.180 -9.195 -4.243 H231 HGX 71  
HGX H232 2H23 H 0 0 N N N ?      ?      ?      27.656 -8.213 -4.254 H232 HGX 72  
HGX H233 3H23 H 0 0 N N N ?      ?      ?      26.389 -7.918 -5.459 H233 HGX 73  
HGX H31  1H3  H 0 1 N N N 42.469 16.382 29.571 11.209 -0.553 -0.210 H31  HGX 74  
HGX H32  2H3  H 0 1 N N N 42.176 17.978 28.747 11.074 -1.711 1.146  H32  HGX 75  
HGX H2   H2   H 0 1 N N N 41.958 19.123 30.734 11.406 0.201  2.771  H2   HGX 76  
HGX H11  1H1  H 0 1 N N N 43.698 18.306 32.334 9.214  1.366  2.379  H11  HGX 77  
HGX H12  2H1  H 0 1 N N N 43.672 16.693 31.503 9.023  -0.365 2.009  H12  HGX 78  
HGX H321 1H32 H 0 0 N N N 39.456 17.617 34.053 12.476 4.284  1.146  H321 HGX 79  
HGX H322 2H32 H 0 0 N N N 38.708 19.247 33.702 11.189 3.593  0.119  H322 HGX 80  
HGX H331 1H33 H 0 0 N N N 38.072 16.536 32.535 10.732 5.327  2.606  H331 HGX 81  
HGX H332 2H33 H 0 0 N N N 36.975 17.824 33.241 9.464  4.592  1.638  H332 HGX 82  
HGX H341 1H34 H 0 0 N N N 37.811 19.204 31.158 11.456 6.666  0.606  H341 HGX 83  
HGX H342 2H34 H 0 0 N N N 38.130 17.565 30.477 10.216 5.868  -0.357 H342 HGX 84  
HGX H351 1H35 H 0 0 N N N 35.658 17.170 31.528 9.665  7.652  2.074  H351 HGX 85  
HGX H352 2H35 H 0 0 N N N 35.565 18.935 31.103 8.434  6.837  1.105  H352 HGX 86  
HGX H361 1H36 H 0 0 N N N 36.198 18.435 28.802 9.180  8.104  -0.914 H361 HGX 87  
HGX H362 2H36 H 0 0 N N N 36.352 16.688 29.202 10.443 8.891  0.036  H362 HGX 88  
HGX H371 1H37 H 0 0 N N N 34.100 16.370 29.332 8.718  9.907  1.515  H371 HGX 89  
HGX H372 2H37 H 0 0 N N N 33.800 18.070 29.911 7.438  9.104  0.603  H372 HGX 90  
HGX H381 1H38 H 0 0 N N N 33.699 18.921 27.810 8.119  10.317 -1.462 H381 HGX 91  
HGX H382 2H38 H 0 0 N N N 34.770 17.626 27.122 9.425  11.114 -0.590 H382 HGX 92  
HGX H391 1H39 H 0 0 N N N 32.930 16.625 26.342 6.434  11.389 -0.037 H391 HGX 93  
HGX H392 2H39 H 0 0 N N N 32.468 16.297 28.059 7.683  12.182 0.916  H392 HGX 94  
HGX H401 1H40 H 0 0 N N N 30.603 17.446 27.458 7.158  12.629 -2.073 H401 HGX 95  
HGX H402 2H40 H 0 0 N N N 31.659 18.864 27.842 8.444  13.410 -1.149 H402 HGX 96  
HGX H421 1H42 H 0 0 N N N 32.368 18.507 25.279 5.446  13.657 -0.594 H421 HGX 97  
HGX H422 2H42 H 0 0 N N N 30.696 17.821 25.209 6.702  14.405 0.386  H422 HGX 98  
HGX H431 1H43 H 0 0 N N N 30.590 20.226 26.753 7.445  15.701 -1.667 H431 HGX 99  
HGX H432 2H43 H 0 0 N N N 31.522 20.569 25.235 6.132  14.947 -2.565 H432 HGX 100 
HGX H441 1H44 H 0 0 N N N 28.991 18.979 24.989 5.782  16.782 -0.135 H441 HGX 101 
HGX H442 2H44 H 0 0 N N N 28.844 20.736 25.346 4.464  15.975 -0.991 H442 HGX 102 
HGX H451 1H45 H 0 0 N N N 30.179 21.306 23.402 6.433  17.980 -2.218 H451 HGX 103 
HGX H452 2H45 H 0 0 N N N 30.537 19.557 23.096 5.144  17.162 -3.104 H452 HGX 104 
HGX H461 1H46 H 0 0 N N N 27.894 19.384 23.026 4.743  19.030 -0.707 H461 HGX 105 
HGX H462 2H46 H 0 0 N N N 28.026 21.135 22.611 3.446  18.189 -1.559 H462 HGX 106 
HGX H471 1H47 H 0 0 N N N 28.734 20.664 20.528 5.367  20.226 -2.811 H471 HGX 107 
HGX H472 2H47 H 0 0 N N N 29.980 19.533 21.134 4.099  19.366 -3.687 H472 HGX 108 
HGX H481 1H48 H 0 0 N N N 27.856 18.717 19.677 2.367  20.404 -2.208 H481 HGX 109 
HGX H482 2H48 H 0 0 N N N 28.597 17.698 20.957 3.342  21.628 -3.038 H482 HGX 110 
HGX H483 3H48 H 0 0 N N N 27.115 18.649 21.311 3.642  21.270 -1.329 H483 HGX 111 
HGX HO1  HO1  H 0 1 N N N ?      ?      ?      7.070  2.353  1.959  HO1  HGX 112 
HGX H41  1H4  H 0 1 N N N ?      ?      ?      9.338  2.447  -1.650 H41  HGX 113 
HGX H42  2H4  H 0 1 N N N ?      ?      ?      8.032  3.577  -1.222 H42  HGX 114 
HGX H51  1H5  H 0 1 N N N ?      ?      ?      7.035  3.258  -3.520 H51  HGX 115 
HGX H52  2H5  H 0 1 N N N ?      ?      ?      8.345  2.095  -3.913 H52  HGX 116 
HGX H61  1H6  H 0 1 N N N ?      ?      ?      10.949 3.928  -4.420 H61  HGX 117 
HGX H62  2H6  H 0 1 N N N ?      ?      ?      10.762 4.448  -2.707 H62  HGX 118 
HGX H63  3H6  H 0 1 N N N ?      ?      ?      10.475 2.730  -3.163 H63  HGX 119 
HGX H71  1H7  H 0 1 N N N ?      ?      ?      8.626  5.432  -5.377 H71  HGX 120 
HGX H72  2H7  H 0 1 N N N ?      ?      ?      9.645  3.997  -5.755 H72  HGX 121 
HGX H73  3H7  H 0 1 N N N ?      ?      ?      7.863  3.814  -5.578 H73  HGX 122 
HGX H81  1H8  H 0 1 N N N ?      ?      ?      9.066  6.204  -3.486 H81  HGX 123 
HGX H82  2H8  H 0 1 N N N ?      ?      ?      7.487  5.484  -3.005 H82  HGX 124 
HGX H83  3H8  H 0 1 N N N ?      ?      ?      8.935  5.262  -1.958 H83  HGX 125 
# 
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 
HGX O11 C11  DOUB N N 1   
HGX C11 C12  SING N N 2   
HGX C11 O3   SING N N 3   
HGX C12 C13  SING N N 4   
HGX C12 H121 SING N N 5   
HGX C12 H122 SING N N 6   
HGX C13 C14  SING N N 7   
HGX C13 H131 SING N N 8   
HGX C13 H132 SING N N 9   
HGX C14 C15  SING N N 10  
HGX C14 H141 SING N N 11  
HGX C14 H142 SING N N 12  
HGX C15 C16  SING N N 13  
HGX C15 H151 SING N N 14  
HGX C15 H152 SING N N 15  
HGX C16 C17  SING N N 16  
HGX C16 H161 SING N N 17  
HGX C16 H162 SING N N 18  
HGX C17 C18  SING N N 19  
HGX C17 H171 SING N N 20  
HGX C17 H172 SING N N 21  
HGX C18 C19  SING N N 22  
HGX C18 H181 SING N N 23  
HGX C18 H182 SING N N 24  
HGX C19 C20  SING N N 25  
HGX C19 H191 SING N N 26  
HGX C19 H192 SING N N 27  
HGX C20 C21  SING N N 28  
HGX C20 H201 SING N N 29  
HGX C20 H202 SING N N 30  
HGX C21 C22  SING N N 31  
HGX C21 H211 SING N N 32  
HGX C21 H212 SING N N 33  
HGX C22 C23  SING N N 34  
HGX C22 H221 SING N N 35  
HGX C22 H222 SING N N 36  
HGX C23 H231 SING N N 37  
HGX C23 H232 SING N N 38  
HGX C23 H233 SING N N 39  
HGX O3  C3   SING N N 40  
HGX C3  C2   SING N N 41  
HGX C3  H31  SING N N 42  
HGX C3  H32  SING N N 43  
HGX C2  C1   SING N N 44  
HGX C2  O2   SING N N 45  
HGX C2  H2   SING N N 46  
HGX C1  O3P  SING N N 47  
HGX C1  H11  SING N N 48  
HGX C1  H12  SING N N 49  
HGX O3P P1   SING N N 50  
HGX O2  C31  SING N N 51  
HGX C31 O31  DOUB N N 52  
HGX C31 C32  SING N N 53  
HGX C32 C33  SING N N 54  
HGX C32 H321 SING N N 55  
HGX C32 H322 SING N N 56  
HGX C33 C34  SING N N 57  
HGX C33 H331 SING N N 58  
HGX C33 H332 SING N N 59  
HGX C34 C35  SING N N 60  
HGX C34 H341 SING N N 61  
HGX C34 H342 SING N N 62  
HGX C35 C36  SING N N 63  
HGX C35 H351 SING N N 64  
HGX C35 H352 SING N N 65  
HGX C36 C37  SING N N 66  
HGX C36 H361 SING N N 67  
HGX C36 H362 SING N N 68  
HGX C37 C38  SING N N 69  
HGX C37 H371 SING N N 70  
HGX C37 H372 SING N N 71  
HGX C38 C39  SING N N 72  
HGX C38 H381 SING N N 73  
HGX C38 H382 SING N N 74  
HGX C39 C40  SING N N 75  
HGX C39 H391 SING N N 76  
HGX C39 H392 SING N N 77  
HGX C40 C42  SING N N 78  
HGX C40 H401 SING N N 79  
HGX C40 H402 SING N N 80  
HGX C42 C43  SING N N 81  
HGX C42 H421 SING N N 82  
HGX C42 H422 SING N N 83  
HGX C43 C44  SING N N 84  
HGX C43 H431 SING N N 85  
HGX C43 H432 SING N N 86  
HGX C44 C45  SING N N 87  
HGX C44 H441 SING N N 88  
HGX C44 H442 SING N N 89  
HGX C45 C46  SING N N 90  
HGX C45 H451 SING N N 91  
HGX C45 H452 SING N N 92  
HGX C46 C47  SING N N 93  
HGX C46 H461 SING N N 94  
HGX C46 H462 SING N N 95  
HGX C47 C48  SING N N 96  
HGX C47 H471 SING N N 97  
HGX C47 H472 SING N N 98  
HGX C48 H481 SING N N 99  
HGX C48 H482 SING N N 100 
HGX C48 H483 SING N N 101 
HGX O1  P1   SING N N 102 
HGX O1  HO1  SING N N 103 
HGX P1  O4   DOUB N N 104 
HGX P1  O5   SING N N 105 
HGX O5  C4   SING N N 106 
HGX C4  C5   SING N N 107 
HGX C4  H41  SING N N 108 
HGX C4  H42  SING N N 109 
HGX C5  N1   SING N N 110 
HGX C5  H51  SING N N 111 
HGX C5  H52  SING N N 112 
HGX N1  C6   SING N N 113 
HGX N1  C7   SING N N 114 
HGX N1  C8   SING N N 115 
HGX C6  H61  SING N N 116 
HGX C6  H62  SING N N 117 
HGX C6  H63  SING N N 118 
HGX C7  H71  SING N N 119 
HGX C7  H72  SING N N 120 
HGX C7  H73  SING N N 121 
HGX C8  H81  SING N N 122 
HGX C8  H82  SING N N 123 
HGX C8  H83  SING N N 124 
# 
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 
HGX SMILES           ACDLabs              10.04 O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCC 
HGX InChI            InChI                1.02b 
InChI=1/C38H76NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39(3,4)5)34-44-37(40)30-28-26-24-22-17-15-13-11-9-7-2/h36H,6-35H2,1-5H3/p+1/t36-/m1/s1/fC38H77NO8P/h42H/q+1 
HGX InChIKey         InChI                1.02b AZEAMUNCULVBPK-KUHMZDDODS 
HGX SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C 
HGX SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C 
HGX SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C 
HGX SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C 
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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 
HGX "SYSTEMATIC NAME" ACDLabs              10.04 "(7R)-4-hydroxy-N,N,N-trimethyl-9-oxo-7-[(tridecanoyloxy)methyl]-3,5,8-trioxa-4-phosphapentacosan-1-aminium 4-oxide" 
HGX "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 2-[[(2R)-2-heptadecanoyloxy-3-tridecanoyloxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium                  
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