data_P6L # _chem_comp.id P6L _chem_comp.name "(2S)-3-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-[(6E)-HEXADEC-6-ENOYLOXY]PROPYL (8E)-OCTADEC-8-ENOATE" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C40 H75 O10 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2005-03-04 _chem_comp.pdbx_modified_date 2011-06-04 _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 746.991 _chem_comp.one_letter_code ? _chem_comp.three_letter_code P6L _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1YOK _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 P6L C1 C1 C 0 1 N N N 32.011 9.378 28.785 1.721 -4.330 -0.522 C1 P6L 1 P6L C2 C2 C 0 1 N N R 32.820 9.562 27.501 3.047 -4.384 0.241 C2 P6L 2 P6L O3 O3 O 0 1 N N N 32.683 10.905 27.151 4.019 -3.587 -0.437 O3 P6L 3 P6L O4 O4 O 0 1 N N N 29.712 12.181 35.014 -2.986 0.289 -1.116 O4 P6L 4 P6L C5 C5 C 0 1 N N S 31.020 11.894 34.554 -2.510 -0.177 -2.406 C5 P6L 5 P6L C6 C6 C 0 1 N N N 31.695 11.209 35.737 -1.437 0.779 -2.930 C6 P6L 6 P6L C7 C7 C 0 1 N N N 30.925 11.117 33.240 -1.914 -1.578 -2.253 C7 P6L 7 P6L O8 O8 O 0 1 N N N 31.526 12.109 36.835 -0.279 0.735 -2.055 O8 P6L 8 P6L O9 O9 O 0 1 N N N 32.117 10.844 32.450 -0.753 -1.514 -1.423 O9 P6L 9 P6L O10 O10 O 0 1 N N N 30.229 10.511 30.886 0.052 -3.560 -2.662 O10 P6L 10 P6L P11 P11 P 0 1 N N R 31.618 10.069 31.193 -0.180 -3.014 -1.307 P11 P6L 11 P6L O12 O12 O 0 1 N N N 32.475 10.256 29.900 1.207 -2.997 -0.490 O12 P6L 12 P6L O13 O13 O 0 1 N N N 31.561 8.600 31.510 -1.248 -3.937 -0.532 O13 P6L 13 P6L C14 C14 C 0 1 N N N 29.261 13.475 35.064 -4.248 0.038 -0.735 C14 P6L 14 P6L O15 O15 O 0 1 N N N 28.240 13.709 35.702 -4.988 -0.577 -1.466 O15 P6L 15 P6L C16 C16 C 0 1 N N N 32.296 13.239 36.879 0.792 1.498 -2.320 C16 P6L 16 P6L O17 O17 O 0 1 N N N 33.054 13.495 35.944 0.794 2.221 -3.288 O17 P6L 17 P6L C18 C18 C 0 1 N N N 30.023 14.595 34.369 -4.742 0.522 0.604 C18 P6L 18 P6L C19 C19 C 0 1 N N N 29.193 15.865 34.202 -6.202 0.106 0.790 C19 P6L 19 P6L C20 C20 C 0 1 N N N 27.888 15.556 33.496 -6.704 0.597 2.149 C20 P6L 20 P6L C21 C21 C 0 1 N N N 27.021 16.782 33.321 -8.164 0.182 2.335 C21 P6L 21 P6L C22 C22 C 0 1 N N N 25.656 16.368 32.804 -8.658 0.666 3.674 C22 P6L 22 P6L C23 C23 C 0 1 N N N 24.823 17.560 32.369 -9.761 1.369 3.750 C23 P6L 23 P6L C24 C24 C 0 1 N N N 25.513 18.321 31.256 -10.625 1.549 2.529 C24 P6L 24 P6L C25 C25 C 0 1 N N N 26.131 17.362 30.257 -12.058 1.121 2.851 C25 P6L 25 P6L C26 C26 C 0 1 N N N 26.748 18.081 29.064 -12.936 1.304 1.611 C26 P6L 26 P6L C27 C27 C 0 1 N N N 32.189 14.173 38.082 1.994 1.452 -1.412 C27 P6L 27 P6L C28 C28 C 0 1 N N N 31.076 15.228 37.962 3.067 2.408 -1.936 C28 P6L 28 P6L C29 C29 C 0 1 N N N 31.305 16.220 36.813 4.287 2.361 -1.014 C29 P6L 29 P6L C30 C30 C 0 1 N N N 30.689 17.588 37.130 5.359 3.318 -1.538 C30 P6L 30 P6L C31 C31 C 0 1 N N N 30.561 18.502 35.899 6.579 3.271 -0.616 C31 P6L 31 P6L C32 C32 C 0 1 N N N 30.197 19.923 36.326 7.652 4.228 -1.140 C32 P6L 32 P6L C33 C33 C 0 1 N N N 29.534 20.722 35.217 8.854 4.182 -0.232 C33 P6L 33 P6L C34 C34 C 0 1 N N N 28.212 20.094 34.818 10.038 3.914 -0.725 C34 P6L 34 P6L C35 C35 C 0 1 N N N 27.170 21.140 34.432 11.239 3.868 0.184 C35 P6L 35 P6L C36 C36 C 0 1 N N N 27.636 22.022 33.280 11.945 2.519 0.028 C36 P6L 36 P6L C37 C37 C 0 1 N N N 27.716 19.191 29.468 -14.369 0.875 1.932 C37 P6L 37 P6L C38 C38 C 0 1 N N N 26.598 23.093 32.962 13.164 2.473 0.951 C38 P6L 38 P6L C39 C39 C 0 1 N N N 25.367 22.512 32.288 13.870 1.124 0.795 C39 P6L 39 P6L C40 C40 C 0 1 N N N 25.630 22.238 30.818 15.090 1.077 1.717 C40 P6L 40 P6L C41 C41 C 0 1 N N N 24.420 21.623 30.139 15.795 -0.272 1.562 C41 P6L 41 P6L C42 C42 C 0 1 N N N 24.641 21.527 28.640 17.015 -0.318 2.484 C42 P6L 42 P6L C43 C43 C 0 1 N N N 23.552 20.716 27.963 17.721 -1.667 2.328 C43 P6L 43 P6L C44 C44 C 0 1 N N N 23.641 19.276 28.412 18.941 -1.714 3.251 C44 P6L 44 P6L C45 C45 C 0 1 N N N 28.785 18.722 30.444 -15.247 1.059 0.692 C45 P6L 45 P6L C46 C46 C 0 1 N N N 29.951 19.704 30.473 -16.680 0.630 1.014 C46 P6L 46 P6L C47 C47 C 0 1 N N N 29.490 21.137 30.652 -17.557 0.814 -0.226 C47 P6L 47 P6L C48 C48 C 0 1 N N N 30.661 22.086 30.540 -18.990 0.385 0.095 C48 P6L 48 P6L C49 C49 C 0 1 N N N 31.732 21.641 31.510 -19.868 0.568 -1.144 C49 P6L 49 P6L C50 C50 C 0 1 N N N 32.423 8.688 26.313 3.535 -5.832 0.313 C50 P6L 50 P6L O51 O51 O 0 1 N N N 33.264 9.005 25.216 4.710 -5.899 1.124 O51 P6L 51 P6L H11 1H1 H 0 1 N N N 30.922 9.521 28.592 1.006 -5.007 -0.055 H11 P6L 52 P6L H12 2H1 H 0 1 N N N 32.001 8.308 29.099 1.885 -4.631 -1.557 H12 P6L 53 P6L H2 H2 H 0 1 N N N 33.865 9.243 27.723 2.901 -3.999 1.250 H2 P6L 54 P6L HO3 HO3 H 0 1 N N N 33.185 11.019 26.353 4.118 -3.960 -1.324 HO3 P6L 55 P6L H5 H5 H 0 1 N N N 31.650 12.769 34.273 -3.342 -0.211 -3.109 H5 P6L 56 P6L H61 1H6 H 0 1 N N N 31.318 10.178 35.936 -1.835 1.794 -2.955 H61 P6L 57 P6L H62 2H6 H 0 1 N N N 32.756 10.923 35.547 -1.144 0.480 -3.936 H62 P6L 58 P6L H71 1H7 H 0 1 N N N 30.413 10.147 33.445 -2.651 -2.239 -1.797 H71 P6L 59 P6L H72 2H7 H 0 1 N N N 30.183 11.630 32.584 -1.638 -1.964 -3.235 H72 P6L 60 P6L H13 H13 H 0 1 N N N 31.256 8.127 30.743 -1.370 -3.548 0.345 H13 P6L 61 P6L H181 1H18 H 0 0 N N N 30.981 14.811 34.896 -4.135 0.082 1.396 H181 P6L 62 P6L H182 2H18 H 0 0 N N N 30.428 14.252 33.388 -4.665 1.608 0.649 H182 P6L 63 P6L H191 1H19 H 0 0 N N N 29.025 16.382 35.175 -6.809 0.546 -0.002 H191 P6L 64 P6L H192 2H19 H 0 0 N N N 29.765 16.669 33.683 -6.279 -0.980 0.745 H192 P6L 65 P6L H201 1H20 H 0 0 N N N 28.070 15.050 32.519 -6.097 0.157 2.941 H201 P6L 66 P6L H202 2H20 H 0 0 N N N 27.332 14.742 34.017 -6.627 1.684 2.194 H202 P6L 67 P6L H211 1H21 H 0 0 N N N 26.951 17.385 34.255 -8.771 0.622 1.543 H211 P6L 68 P6L H212 2H21 H 0 0 N N N 27.502 17.549 32.670 -8.241 -0.905 2.290 H212 P6L 69 P6L H22 H22 H 0 1 N N N 25.309 15.322 32.750 -8.103 0.433 4.570 H22 P6L 70 P6L H23 H23 H 0 1 N N N 23.847 17.836 32.803 -10.051 1.818 4.688 H23 P6L 71 P6L H241 1H24 H 0 0 N N N 24.825 19.046 30.762 -10.618 2.598 2.231 H241 P6L 72 P6L H242 2H24 H 0 0 N N N 26.262 19.045 31.652 -10.237 0.937 1.715 H242 P6L 73 P6L H251 1H25 H 0 0 N N N 26.873 16.692 30.750 -12.066 0.072 3.149 H251 P6L 74 P6L H252 2H25 H 0 0 N N N 25.391 16.596 29.925 -12.447 1.733 3.665 H252 P6L 75 P6L H261 1H26 H 0 0 N N N 27.240 17.356 28.374 -12.929 2.352 1.312 H261 P6L 76 P6L H262 2H26 H 0 0 N N N 25.956 18.472 28.383 -12.547 0.692 0.797 H262 P6L 77 P6L H271 1H27 H 0 0 N N N 32.071 13.586 39.022 2.392 0.437 -1.388 H271 P6L 78 P6L H272 2H27 H 0 0 N N N 33.170 14.661 38.285 1.700 1.751 -0.406 H272 P6L 79 P6L H281 1H28 H 0 0 N N N 30.076 14.742 37.873 2.669 3.423 -1.961 H281 P6L 80 P6L H282 2H28 H 0 0 N N N 30.933 15.765 38.928 3.360 2.109 -2.942 H282 P6L 81 P6L H291 1H29 H 0 0 N N N 32.386 16.307 36.556 4.685 1.347 -0.989 H291 P6L 82 P6L H292 2H29 H 0 0 N N N 30.931 15.817 35.843 3.993 2.661 -0.008 H292 P6L 83 P6L H301 1H30 H 0 0 N N N 29.703 17.469 37.638 4.961 4.332 -1.563 H301 P6L 84 P6L H302 2H30 H 0 0 N N N 31.256 18.097 37.943 5.653 3.019 -2.544 H302 P6L 85 P6L H311 1H31 H 0 0 N N N 31.480 18.480 35.268 6.978 2.257 -0.591 H311 P6L 86 P6L H312 2H31 H 0 0 N N N 29.839 18.095 35.152 6.286 3.571 0.390 H312 P6L 87 P6L H321 1H32 H 0 0 N N N 29.564 19.913 37.243 7.254 5.242 -1.165 H321 P6L 88 P6L H322 2H32 H 0 0 N N N 31.088 20.459 36.725 7.946 3.928 -2.146 H322 P6L 89 P6L H33 H33 H 0 1 N N N 29.955 21.634 34.762 8.739 4.369 0.826 H33 P6L 90 P6L H34 H34 H 0 1 N N N 28.030 19.006 34.809 10.153 3.727 -1.782 H34 P6L 91 P6L H351 1H35 H 0 0 N N N 26.187 20.664 34.203 10.918 3.993 1.218 H351 P6L 92 P6L H352 2H35 H 0 0 N N N 26.869 21.753 35.313 11.927 4.671 -0.082 H352 P6L 93 P6L H361 1H36 H 0 0 N N N 28.638 22.466 33.480 12.266 2.395 -1.006 H361 P6L 94 P6L H362 2H36 H 0 0 N N N 27.896 21.419 32.378 11.257 1.717 0.294 H362 P6L 95 P6L H371 1H37 H 0 0 N N N 28.177 19.663 28.569 -14.376 -0.173 2.230 H371 P6L 96 P6L H372 2H37 H 0 0 N N N 27.165 20.071 29.874 -14.758 1.487 2.746 H372 P6L 97 P6L H381 1H38 H 0 0 N N N 26.323 23.673 33.873 12.843 2.597 1.985 H381 P6L 98 P6L H382 2H38 H 0 0 N N N 27.040 23.917 32.354 13.852 3.275 0.684 H382 P6L 99 P6L H391 1H39 H 0 0 N N N 24.999 21.601 32.816 14.191 0.999 -0.239 H391 P6L 100 P6L H392 2H39 H 0 0 N N N 24.473 23.163 32.431 13.182 0.321 1.061 H392 P6L 101 P6L H401 1H40 H 0 0 N N N 25.971 23.157 30.287 14.769 1.202 2.751 H401 P6L 102 P6L H402 2H40 H 0 0 N N N 26.539 21.608 30.677 15.778 1.880 1.451 H402 P6L 103 P6L H411 1H41 H 0 0 N N N 24.153 20.635 30.582 16.117 -0.396 0.527 H411 P6L 104 P6L H412 2H41 H 0 0 N N N 23.482 22.174 30.384 15.108 -1.074 1.828 H412 P6L 105 P6L H421 1H42 H 0 0 N N N 24.742 22.536 28.178 16.694 -0.194 3.518 H421 P6L 106 P6L H422 2H42 H 0 0 N N N 25.653 21.125 28.403 17.703 0.484 2.218 H422 P6L 107 P6L H431 1H43 H 0 0 N N N 22.538 21.148 28.132 18.042 -1.792 1.294 H431 P6L 108 P6L H432 2H43 H 0 0 N N N 23.583 20.813 26.852 17.033 -2.470 2.594 H432 P6L 109 P6L H441 1H44 H 0 0 N N N 22.840 18.680 27.914 18.619 -1.589 4.285 H441 P6L 110 P6L H442 2H44 H 0 0 N N N 24.654 18.844 28.242 19.443 -2.675 3.140 H442 P6L 111 P6L H443 3H44 H 0 0 N N N 23.609 19.178 29.522 19.628 -0.911 2.984 H443 P6L 112 P6L H451 1H45 H 0 0 N N N 28.367 18.544 31.462 -15.239 2.107 0.394 H451 P6L 113 P6L H452 2H45 H 0 0 N N N 29.123 17.683 30.220 -14.858 0.447 -0.122 H452 P6L 114 P6L H461 1H46 H 0 0 N N N 30.697 19.420 31.251 -16.687 -0.418 1.312 H461 P6L 115 P6L H462 2H46 H 0 0 N N N 30.590 19.596 29.566 -17.068 1.242 1.828 H462 P6L 116 P6L H471 1H47 H 0 0 N N N 28.672 21.401 29.941 -17.550 1.862 -0.524 H471 P6L 117 P6L H472 2H47 H 0 0 N N N 28.932 21.277 31.607 -17.169 0.201 -1.040 H472 P6L 118 P6L H481 1H48 H 0 0 N N N 31.040 22.176 29.495 -18.997 -0.664 0.394 H481 P6L 119 P6L H482 2H48 H 0 0 N N N 30.365 23.150 30.687 -19.379 0.997 0.909 H482 P6L 120 P6L H491 1H49 H 0 0 N N N 32.595 22.341 31.427 -20.889 0.263 -0.915 H491 P6L 121 P6L H492 2H49 H 0 0 N N N 31.352 21.550 32.554 -19.860 1.617 -1.443 H492 P6L 122 P6L H493 3H49 H 0 0 N N N 32.028 20.576 31.362 -19.479 -0.044 -1.958 H493 P6L 123 P6L H501 1H50 H 0 0 N N N 32.434 7.600 26.559 2.756 -6.457 0.751 H501 P6L 124 P6L H502 2H50 H 0 0 N N N 31.340 8.776 26.060 3.766 -6.189 -0.691 H502 P6L 125 P6L H51 H51 H 0 1 N N N 33.017 8.461 24.477 4.984 -6.826 1.143 H51 P6L 126 # 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 P6L C1 C2 SING N N 1 P6L C1 O12 SING N N 2 P6L C1 H11 SING N N 3 P6L C1 H12 SING N N 4 P6L C2 O3 SING N N 5 P6L C2 C50 SING N N 6 P6L C2 H2 SING N N 7 P6L O3 HO3 SING N N 8 P6L O4 C5 SING N N 9 P6L O4 C14 SING N N 10 P6L C5 C6 SING N N 11 P6L C5 C7 SING N N 12 P6L C5 H5 SING N N 13 P6L C6 O8 SING N N 14 P6L C6 H61 SING N N 15 P6L C6 H62 SING N N 16 P6L C7 O9 SING N N 17 P6L C7 H71 SING N N 18 P6L C7 H72 SING N N 19 P6L O8 C16 SING N N 20 P6L O9 P11 SING N N 21 P6L O10 P11 DOUB N N 22 P6L P11 O12 SING N N 23 P6L P11 O13 SING N N 24 P6L O13 H13 SING N N 25 P6L C14 O15 DOUB N N 26 P6L C14 C18 SING N N 27 P6L C16 O17 DOUB N N 28 P6L C16 C27 SING N N 29 P6L C18 C19 SING N N 30 P6L C18 H181 SING N N 31 P6L C18 H182 SING N N 32 P6L C19 C20 SING N N 33 P6L C19 H191 SING N N 34 P6L C19 H192 SING N N 35 P6L C20 C21 SING N N 36 P6L C20 H201 SING N N 37 P6L C20 H202 SING N N 38 P6L C21 C22 SING N N 39 P6L C21 H211 SING N N 40 P6L C21 H212 SING N N 41 P6L C22 C23 DOUB N Z 42 P6L C22 H22 SING N N 43 P6L C23 C24 SING N N 44 P6L C23 H23 SING N N 45 P6L C24 C25 SING N N 46 P6L C24 H241 SING N N 47 P6L C24 H242 SING N N 48 P6L C25 C26 SING N N 49 P6L C25 H251 SING N N 50 P6L C25 H252 SING N N 51 P6L C26 C37 SING N N 52 P6L C26 H261 SING N N 53 P6L C26 H262 SING N N 54 P6L C27 C28 SING N N 55 P6L C27 H271 SING N N 56 P6L C27 H272 SING N N 57 P6L C28 C29 SING N N 58 P6L C28 H281 SING N N 59 P6L C28 H282 SING N N 60 P6L C29 C30 SING N N 61 P6L C29 H291 SING N N 62 P6L C29 H292 SING N N 63 P6L C30 C31 SING N N 64 P6L C30 H301 SING N N 65 P6L C30 H302 SING N N 66 P6L C31 C32 SING N N 67 P6L C31 H311 SING N N 68 P6L C31 H312 SING N N 69 P6L C32 C33 SING N N 70 P6L C32 H321 SING N N 71 P6L C32 H322 SING N N 72 P6L C33 C34 DOUB N E 73 P6L C33 H33 SING N N 74 P6L C34 C35 SING N N 75 P6L C34 H34 SING N N 76 P6L C35 C36 SING N N 77 P6L C35 H351 SING N N 78 P6L C35 H352 SING N N 79 P6L C36 C38 SING N N 80 P6L C36 H361 SING N N 81 P6L C36 H362 SING N N 82 P6L C37 C45 SING N N 83 P6L C37 H371 SING N N 84 P6L C37 H372 SING N N 85 P6L C38 C39 SING N N 86 P6L C38 H381 SING N N 87 P6L C38 H382 SING N N 88 P6L C39 C40 SING N N 89 P6L C39 H391 SING N N 90 P6L C39 H392 SING N N 91 P6L C40 C41 SING N N 92 P6L C40 H401 SING N N 93 P6L C40 H402 SING N N 94 P6L C41 C42 SING N N 95 P6L C41 H411 SING N N 96 P6L C41 H412 SING N N 97 P6L C42 C43 SING N N 98 P6L C42 H421 SING N N 99 P6L C42 H422 SING N N 100 P6L C43 C44 SING N N 101 P6L C43 H431 SING N N 102 P6L C43 H432 SING N N 103 P6L C44 H441 SING N N 104 P6L C44 H442 SING N N 105 P6L C44 H443 SING N N 106 P6L C45 C46 SING N N 107 P6L C45 H451 SING N N 108 P6L C45 H452 SING N N 109 P6L C46 C47 SING N N 110 P6L C46 H461 SING N N 111 P6L C46 H462 SING N N 112 P6L C47 C48 SING N N 113 P6L C47 H471 SING N N 114 P6L C47 H472 SING N N 115 P6L C48 C49 SING N N 116 P6L C48 H481 SING N N 117 P6L C48 H482 SING N N 118 P6L C49 H491 SING N N 119 P6L C49 H492 SING N N 120 P6L C49 H493 SING N N 121 P6L C50 O51 SING N N 122 P6L C50 H501 SING N N 123 P6L C50 H502 SING N N 124 P6L O51 H51 SING N N 125 # 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 P6L SMILES ACDLabs 10.04 "O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCC/C=C/CCCCCCCCC)CCCC\C=C/CCCCCCCCC" P6L SMILES_CANONICAL CACTVS 3.341 "CCCCCCCCC/C=C/CCCCCCC(=O)OC[C@@H](CO[P@@](O)(=O)OC[C@H](O)CO)OC(=O)CCCC\C=C/CCCCCCCCC" P6L SMILES CACTVS 3.341 "CCCCCCCCCC=CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC=CCCCCCCCCC" P6L SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCC=CCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCC=CCCCCCCCCC" P6L SMILES "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCC=CCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCC=CCCCCCCCCC" P6L InChI InChI 1.03 ;InChI=1S/C40H75O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h18,20,22,24,37-38,41-42H,3-17,19,21,23,25-36H2,1-2H3,(H,45,46)/b20-18+,24-22-/t37-,38+/m1/s1 ; P6L InChIKey InChI 1.03 WLVNRDXLPAAELE-GDRYEXQRSA-N # 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 P6L "SYSTEMATIC NAME" ACDLabs 10.04 "(2S)-3-{[(R)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-2-[(6Z)-hexadec-6-enoyloxy]propyl (8E)-octadec-8-enoate" P6L "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(2S)-3-[[(2R)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-2-hexadec-6-enoyloxy-propyl] octadec-8-enoate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site P6L "Create component" 2005-03-04 RCSB P6L "Modify descriptor" 2011-06-04 RCSB #