data_MX7 # _chem_comp.id MX7 _chem_comp.name "(2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C39 H73 O8 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "dioleoyl-phosphatidic acid" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2013-09-30 _chem_comp.pdbx_modified_date 2021-03-01 _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 700.966 _chem_comp.one_letter_code ? _chem_comp.three_letter_code MX7 _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 4MX7 _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 MX7 C2I C2I C 0 1 N N N 8.460 -13.621 -16.881 16.414 8.915 -0.571 C2I MX7 1 MX7 C2H C2H C 0 1 N N N 7.676 -12.335 -16.623 15.400 7.844 -0.977 C2H MX7 2 MX7 C2G C2G C 0 1 N N N 6.956 -11.847 -17.900 15.608 6.594 -0.119 C2G MX7 3 MX7 C2F C2F C 0 1 N N N 7.653 -10.603 -18.491 14.594 5.523 -0.525 C2F MX7 4 MX7 C2E C2E C 0 1 N N N 6.668 -9.446 -18.786 14.802 4.273 0.333 C2E MX7 5 MX7 C2D C2D C 0 1 N N N 7.001 -8.851 -20.167 13.788 3.201 -0.072 C2D MX7 6 MX7 C2C C2C C 0 1 N N N 5.949 -7.819 -20.629 13.997 1.951 0.785 C2C MX7 7 MX7 C2B C2B C 0 1 N N N 5.444 -8.180 -22.055 12.982 0.880 0.380 C2B MX7 8 MX7 C2A C2A C 0 1 N N N 6.098 -7.411 -23.018 13.188 -0.351 1.224 C2A MX7 9 MX7 C29 C29 C 0 1 N N N 5.353 -7.137 -24.178 12.176 -0.881 1.867 C29 MX7 10 MX7 C28 C28 C 0 1 N N N 4.065 -7.674 -24.213 10.780 -0.366 1.630 C28 MX7 11 MX7 C27 C27 C 0 1 N N N 3.973 -8.652 -25.388 9.863 -1.532 1.254 C27 MX7 12 MX7 C26 C26 C 0 1 N N N 2.680 -8.463 -26.194 8.446 -1.009 1.014 C26 MX7 13 MX7 C25 C25 C 0 1 N N N 2.763 -9.247 -27.537 7.529 -2.175 0.638 C25 MX7 14 MX7 C24 C24 C 0 1 N N N 3.292 -10.693 -27.364 6.111 -1.652 0.398 C24 MX7 15 MX7 C23 C23 C 0 1 N N N 2.229 -11.712 -27.796 5.195 -2.818 0.022 C23 MX7 16 MX7 C22 C22 C 0 1 N N N 2.761 -12.701 -28.837 3.777 -2.296 -0.218 C22 MX7 17 MX7 C21 C21 C 0 1 N N N 2.431 -12.188 -30.240 2.874 -3.444 -0.588 C21 MX7 18 MX7 O22 O22 O 0 1 N N N 3.185 -11.391 -30.788 3.319 -4.566 -0.653 O22 MX7 19 MX7 O21 O21 O 0 1 N N N 1.280 -12.666 -30.799 1.576 -3.221 -0.846 O21 MX7 20 MX7 C2 C2 C 0 1 N N R 1.187 -12.386 -32.207 0.766 -4.374 -1.196 C2 MX7 21 MX7 C1 C1 C 0 1 N N N 1.175 -13.685 -33.036 0.169 -4.983 0.075 C1 MX7 22 MX7 O11 O11 O 0 1 N N N 1.643 -14.763 -32.215 -0.736 -4.051 0.670 O11 MX7 23 MX7 P P P 0 1 N N N 2.329 -16.100 -32.802 -1.547 -4.360 2.026 P MX7 24 MX7 O13 O13 O 0 1 N N N 3.663 -16.197 -31.844 -2.565 -3.150 2.331 O13 MX7 25 MX7 O12 O12 O 0 1 N N N 2.662 -15.869 -34.228 -2.310 -5.618 1.868 O12 MX7 26 MX7 O14 O14 O 0 1 N N N 1.437 -17.227 -32.455 -0.511 -4.511 3.249 O14 MX7 27 MX7 C3 C3 C 0 1 N N N -0.094 -11.607 -32.470 -0.364 -3.939 -2.131 C3 MX7 28 MX7 O31 O31 O 0 1 N N N 0.186 -10.195 -32.434 -1.259 -3.041 -1.424 O31 MX7 29 MX7 C31 C31 C 0 1 N N N -0.759 -9.509 -33.151 -2.311 -2.564 -2.109 C31 MX7 30 MX7 O32 O32 O 0 1 N N N -1.381 -10.000 -34.095 -2.478 -2.887 -3.261 O32 MX7 31 MX7 C32 C32 C 0 1 N N N -1.012 -8.045 -32.747 -3.283 -1.627 -1.440 C32 MX7 32 MX7 C33 C33 C 0 1 N N N -0.969 -7.817 -31.231 -4.380 -1.237 -2.433 C33 MX7 33 MX7 C34 C34 C 0 1 N N N -1.871 -6.623 -30.859 -5.367 -0.285 -1.755 C34 MX7 34 MX7 C35 C35 C 0 1 N N N -1.249 -5.762 -29.740 -6.464 0.105 -2.748 C35 MX7 35 MX7 C36 C36 C 0 1 N N N -2.323 -4.840 -29.144 -7.451 1.057 -2.069 C36 MX7 36 MX7 C37 C37 C 0 1 N N N -2.081 -3.378 -29.580 -8.548 1.447 -3.062 C37 MX7 37 MX7 C38 C38 C 0 1 N N N -3.233 -2.750 -30.417 -9.535 2.399 -2.384 C38 MX7 38 MX7 C39 C39 C 0 1 N N N -4.314 -2.425 -29.583 -10.615 2.783 -3.362 C39 MX7 39 MX7 C3A C3A C 0 1 N N N -5.095 -1.293 -29.903 -11.876 2.643 -3.034 C3A MX7 40 MX7 C3B C3B C 0 1 N N N -4.766 -0.576 -31.059 -12.250 2.260 -1.625 C3B MX7 41 MX7 C3C C3C C 0 1 N N N -6.021 0.133 -31.612 -13.253 3.273 -1.071 C3C MX7 42 MX7 C3D C3D C 0 1 N N N -6.816 -0.859 -32.472 -13.633 2.884 0.360 C3D MX7 43 MX7 C3E C3E C 0 1 N N N -8.220 -0.345 -32.782 -14.636 3.898 0.914 C3E MX7 44 MX7 C3F C3F C 0 1 N N N -9.248 -1.489 -32.651 -15.015 3.509 2.345 C3F MX7 45 MX7 C3G C3G C 0 1 N N N -10.071 -1.301 -31.356 -16.018 4.522 2.899 C3G MX7 46 MX7 C3H C3H C 0 1 N N N -11.284 -2.251 -31.299 -16.398 4.134 4.330 C3H MX7 47 MX7 C3I C3I C 0 1 N N N -11.401 -2.918 -29.916 -17.401 5.147 4.884 C3I MX7 48 MX7 H1 H1 H 0 1 N N N 8.959 -13.939 -15.954 17.424 8.535 -0.723 H1 MX7 49 MX7 H2 H2 H 0 1 N N N 7.770 -14.410 -17.216 16.266 9.806 -1.182 H2 MX7 50 MX7 H3 H3 H 0 1 N N N 9.215 -13.440 -17.660 16.275 9.168 0.480 H3 MX7 51 MX7 H4 H4 H 0 1 N N N 8.372 -11.554 -16.284 14.390 8.224 -0.825 H4 MX7 52 MX7 H5 H5 H 0 1 N N N 6.927 -12.524 -15.840 15.539 7.591 -2.028 H5 MX7 53 MX7 H6 H6 H 0 1 N N N 5.916 -11.591 -17.650 16.619 6.214 -0.271 H6 MX7 54 MX7 H7 H7 H 0 1 N N N 6.966 -12.653 -18.648 15.469 6.847 0.932 H7 MX7 55 MX7 H8 H8 H 0 1 N N N 8.148 -10.891 -19.430 13.584 5.903 -0.373 H8 MX7 56 MX7 H9 H9 H 0 1 N N N 8.407 -10.248 -17.773 14.733 5.270 -1.576 H9 MX7 57 MX7 H10 H10 H 0 1 N N N 6.769 -8.669 -18.014 15.813 3.892 0.181 H10 MX7 58 MX7 H11 H11 H 0 1 N N N 5.637 -9.829 -18.787 14.663 4.526 1.384 H11 MX7 59 MX7 H12 H12 H 0 1 N N N 7.043 -9.667 -20.903 12.778 3.582 0.079 H12 MX7 60 MX7 H13 H13 H 0 1 N N N 7.982 -8.356 -20.112 13.927 2.948 -1.123 H13 MX7 61 MX7 H14 H14 H 0 1 N N N 6.403 -6.817 -20.646 15.007 1.571 0.633 H14 MX7 62 MX7 H15 H15 H 0 1 N N N 5.100 -7.825 -19.929 13.858 2.204 1.836 H15 MX7 63 MX7 H16 H16 H 0 1 N N N 4.362 -7.990 -22.114 11.972 1.260 0.531 H16 MX7 64 MX7 H17 H17 H 0 1 N N N 5.640 -9.245 -22.249 13.122 0.627 -0.671 H17 MX7 65 MX7 H18 H18 H 0 1 N N N 7.107 -7.051 -22.882 14.169 -0.797 1.300 H18 MX7 66 MX7 H19 H19 H 0 1 N N N 5.752 -6.548 -24.991 12.343 -1.687 2.566 H19 MX7 67 MX7 H20 H20 H 0 1 N N N 3.330 -6.866 -24.345 10.409 0.110 2.537 H20 MX7 68 MX7 H21 H21 H 0 1 N N N 3.860 -8.205 -23.272 10.794 0.361 0.818 H21 MX7 69 MX7 H22 H22 H 0 1 N N N 4.001 -9.680 -24.997 10.234 -2.008 0.346 H22 MX7 70 MX7 H23 H23 H 0 1 N N N 4.833 -8.489 -26.054 9.849 -2.259 2.066 H23 MX7 71 MX7 H24 H24 H 0 1 N N N 2.537 -7.393 -26.406 8.075 -0.533 1.921 H24 MX7 72 MX7 H25 H25 H 0 1 N N N 1.828 -8.837 -25.607 8.460 -0.282 0.202 H25 MX7 73 MX7 H26 H26 H 0 1 N N N 3.438 -8.706 -28.217 7.900 -2.651 -0.270 H26 MX7 74 MX7 H27 H27 H 0 1 N N N 1.757 -9.293 -27.979 7.515 -2.902 1.450 H27 MX7 75 MX7 H28 H28 H 0 1 N N N 3.546 -10.861 -26.307 5.741 -1.176 1.306 H28 MX7 76 MX7 H29 H29 H 0 1 N N N 4.192 -10.825 -27.982 6.125 -0.925 -0.414 H29 MX7 77 MX7 H30 H30 H 0 1 N N N 1.374 -11.170 -28.227 5.565 -3.294 -0.886 H30 MX7 78 MX7 H31 H31 H 0 1 N N N 1.898 -12.274 -26.911 5.181 -3.546 0.834 H31 MX7 79 MX7 H32 H32 H 0 1 N N N 2.289 -13.683 -28.685 3.406 -1.820 0.689 H32 MX7 80 MX7 H33 H33 H 0 1 N N N 3.851 -12.797 -28.728 3.791 -1.568 -1.030 H33 MX7 81 MX7 H34 H34 H 0 1 N N N 2.045 -11.775 -32.525 1.387 -5.116 -1.697 H34 MX7 82 MX7 H35 H35 H 0 1 N N N 1.835 -13.572 -33.909 -0.365 -5.899 -0.177 H35 MX7 83 MX7 H36 H36 H 0 1 N N N 0.150 -13.897 -33.376 0.970 -5.211 0.779 H36 MX7 84 MX7 H37 H37 H 0 1 N N N 4.443 -16.087 -32.375 -3.088 -3.269 3.135 H37 MX7 85 MX7 H38 H38 H 0 1 N N N 1.179 -17.683 -33.248 0.024 -3.722 3.410 H38 MX7 86 MX7 H39 H39 H 0 1 N N N -0.838 -11.853 -31.698 0.057 -3.426 -2.995 H39 MX7 87 MX7 H40 H40 H 0 1 N N N -0.490 -11.877 -33.460 -0.918 -4.816 -2.464 H40 MX7 88 MX7 H41 H41 H 0 1 N N N -0.242 -7.415 -33.217 -3.732 -2.122 -0.579 H41 MX7 89 MX7 H42 H42 H 0 1 N N N -2.004 -7.747 -33.117 -2.756 -0.732 -1.110 H42 MX7 90 MX7 H43 H43 H 0 1 N N N -1.327 -8.720 -30.715 -3.931 -0.741 -3.294 H43 MX7 91 MX7 H44 H44 H 0 1 N N N 0.065 -7.604 -30.923 -4.907 -2.132 -2.763 H44 MX7 92 MX7 H45 H45 H 0 1 N N N -2.018 -5.996 -31.751 -5.816 -0.780 -0.894 H45 MX7 93 MX7 H46 H46 H 0 1 N N N -2.844 -7.005 -30.515 -4.840 0.610 -1.425 H46 MX7 94 MX7 H47 H47 H 0 1 N N N -0.851 -6.418 -28.952 -6.015 0.601 -3.609 H47 MX7 95 MX7 H48 H48 H 0 1 N N N -0.434 -5.153 -30.157 -6.991 -0.790 -3.078 H48 MX7 96 MX7 H49 H49 H 0 1 N N N -3.314 -5.164 -29.495 -7.900 0.562 -1.208 H49 MX7 97 MX7 H50 H50 H 0 1 N N N -2.285 -4.902 -28.046 -6.924 1.952 -1.739 H50 MX7 98 MX7 H51 H51 H 0 1 N N N -1.163 -3.348 -30.185 -8.099 1.943 -3.923 H51 MX7 99 MX7 H52 H52 H 0 1 N N N -1.944 -2.769 -28.675 -9.075 0.552 -3.392 H52 MX7 100 MX7 H53 H53 H 0 1 N N N -3.565 -3.472 -31.178 -9.984 1.904 -1.523 H53 MX7 101 MX7 H54 H54 H 0 1 N N N -2.868 -1.838 -30.911 -9.008 3.295 -2.054 H54 MX7 102 MX7 H55 H55 H 0 1 N N N -4.543 -3.027 -28.716 -10.350 3.175 -4.333 H55 MX7 103 MX7 H56 H56 H 0 1 N N N -5.920 -0.990 -29.276 -12.647 2.802 -3.773 H56 MX7 104 MX7 H57 H57 H 0 1 N N N -4.374 -1.268 -31.818 -12.699 1.267 -1.626 H57 MX7 105 MX7 H58 H58 H 0 1 N N N -4.000 0.175 -30.817 -11.356 2.254 -1.001 H58 MX7 106 MX7 H59 H59 H 0 1 N N N -5.718 0.994 -32.226 -12.803 4.266 -1.070 H59 MX7 107 MX7 H60 H60 H 0 1 N N N -6.646 0.481 -30.777 -14.146 3.279 -1.695 H60 MX7 108 MX7 H61 H61 H 0 1 N N N -6.898 -1.813 -31.931 -14.082 1.891 0.359 H61 MX7 109 MX7 H62 H62 H 0 1 N N N -6.279 -1.019 -33.418 -12.739 2.878 0.984 H62 MX7 110 MX7 H63 H63 H 0 1 N N N -8.244 0.049 -33.809 -14.186 4.891 0.915 H63 MX7 111 MX7 H64 H64 H 0 1 N N N -8.477 0.457 -32.075 -15.529 3.904 0.290 H64 MX7 112 MX7 H65 H65 H 0 1 N N N -9.923 -1.475 -33.519 -15.465 2.516 2.344 H65 MX7 113 MX7 H66 H66 H 0 1 N N N -8.720 -2.453 -32.612 -14.122 3.503 2.969 H66 MX7 114 MX7 H67 H67 H 0 1 N N N -9.422 -1.501 -30.491 -15.569 5.515 2.900 H67 MX7 115 MX7 H68 H68 H 0 1 N N N -10.431 -0.263 -31.312 -16.912 4.529 2.275 H68 MX7 116 MX7 H69 H69 H 0 1 N N N -12.200 -1.676 -31.499 -16.848 3.141 4.329 H69 MX7 117 MX7 H70 H70 H 0 1 N N N -11.166 -3.031 -32.065 -15.505 4.127 4.954 H70 MX7 118 MX7 H71 H71 H 0 1 N N N -12.273 -3.589 -29.904 -17.672 4.870 5.903 H71 MX7 119 MX7 H72 H72 H 0 1 N N N -10.489 -3.498 -29.711 -16.952 6.140 4.885 H72 MX7 120 MX7 H73 H73 H 0 1 N N N -11.524 -2.143 -29.145 -18.295 5.153 4.260 H73 MX7 121 # # 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 MX7 O12 P DOUB N N 1 MX7 O32 C31 DOUB N N 2 MX7 C31 C32 SING N N 3 MX7 C31 O31 SING N N 4 MX7 C1 O11 SING N N 5 MX7 C1 C2 SING N N 6 MX7 P O14 SING N N 7 MX7 P O11 SING N N 8 MX7 P O13 SING N N 9 MX7 C3E C3F SING N N 10 MX7 C3E C3D SING N N 11 MX7 C32 C33 SING N N 12 MX7 C3F C3G SING N N 13 MX7 C3D C3C SING N N 14 MX7 C3 O31 SING N N 15 MX7 C3 C2 SING N N 16 MX7 C2 O21 SING N N 17 MX7 C3C C3B SING N N 18 MX7 C3G C3H SING N N 19 MX7 C3H C3I SING N N 20 MX7 C33 C34 SING N N 21 MX7 C3B C3A SING N N 22 MX7 C34 C35 SING N N 23 MX7 O21 C21 SING N N 24 MX7 O22 C21 DOUB N N 25 MX7 C38 C39 SING N N 26 MX7 C38 C37 SING N N 27 MX7 C21 C22 SING N N 28 MX7 C3A C39 DOUB N Z 29 MX7 C35 C36 SING N N 30 MX7 C37 C36 SING N N 31 MX7 C22 C23 SING N N 32 MX7 C23 C24 SING N N 33 MX7 C25 C24 SING N N 34 MX7 C25 C26 SING N N 35 MX7 C26 C27 SING N N 36 MX7 C27 C28 SING N N 37 MX7 C28 C29 SING N N 38 MX7 C29 C2A DOUB N Z 39 MX7 C2A C2B SING N N 40 MX7 C2B C2C SING N N 41 MX7 C2C C2D SING N N 42 MX7 C2D C2E SING N N 43 MX7 C2E C2F SING N N 44 MX7 C2F C2G SING N N 45 MX7 C2G C2H SING N N 46 MX7 C2I C2H SING N N 47 MX7 C2I H1 SING N N 48 MX7 C2I H2 SING N N 49 MX7 C2I H3 SING N N 50 MX7 C2H H4 SING N N 51 MX7 C2H H5 SING N N 52 MX7 C2G H6 SING N N 53 MX7 C2G H7 SING N N 54 MX7 C2F H8 SING N N 55 MX7 C2F H9 SING N N 56 MX7 C2E H10 SING N N 57 MX7 C2E H11 SING N N 58 MX7 C2D H12 SING N N 59 MX7 C2D H13 SING N N 60 MX7 C2C H14 SING N N 61 MX7 C2C H15 SING N N 62 MX7 C2B H16 SING N N 63 MX7 C2B H17 SING N N 64 MX7 C2A H18 SING N N 65 MX7 C29 H19 SING N N 66 MX7 C28 H20 SING N N 67 MX7 C28 H21 SING N N 68 MX7 C27 H22 SING N N 69 MX7 C27 H23 SING N N 70 MX7 C26 H24 SING N N 71 MX7 C26 H25 SING N N 72 MX7 C25 H26 SING N N 73 MX7 C25 H27 SING N N 74 MX7 C24 H28 SING N N 75 MX7 C24 H29 SING N N 76 MX7 C23 H30 SING N N 77 MX7 C23 H31 SING N N 78 MX7 C22 H32 SING N N 79 MX7 C22 H33 SING N N 80 MX7 C2 H34 SING N N 81 MX7 C1 H35 SING N N 82 MX7 C1 H36 SING N N 83 MX7 O13 H37 SING N N 84 MX7 O14 H38 SING N N 85 MX7 C3 H39 SING N N 86 MX7 C3 H40 SING N N 87 MX7 C32 H41 SING N N 88 MX7 C32 H42 SING N N 89 MX7 C33 H43 SING N N 90 MX7 C33 H44 SING N N 91 MX7 C34 H45 SING N N 92 MX7 C34 H46 SING N N 93 MX7 C35 H47 SING N N 94 MX7 C35 H48 SING N N 95 MX7 C36 H49 SING N N 96 MX7 C36 H50 SING N N 97 MX7 C37 H51 SING N N 98 MX7 C37 H52 SING N N 99 MX7 C38 H53 SING N N 100 MX7 C38 H54 SING N N 101 MX7 C39 H55 SING N N 102 MX7 C3A H56 SING N N 103 MX7 C3B H57 SING N N 104 MX7 C3B H58 SING N N 105 MX7 C3C H59 SING N N 106 MX7 C3C H60 SING N N 107 MX7 C3D H61 SING N N 108 MX7 C3D H62 SING N N 109 MX7 C3E H63 SING N N 110 MX7 C3E H64 SING N N 111 MX7 C3F H65 SING N N 112 MX7 C3F H66 SING N N 113 MX7 C3G H67 SING N N 114 MX7 C3G H68 SING N N 115 MX7 C3H H69 SING N N 116 MX7 C3H H70 SING N N 117 MX7 C3I H71 SING N N 118 MX7 C3I H72 SING N N 119 MX7 C3I H73 SING N N 120 # # 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 MX7 SMILES ACDLabs 12.01 "O=C(OC(COP(=O)(O)O)COC(=O)CCCCCCC\C=C/CCCCCCCC)CCCCCCC\C=C/CCCCCCCC" MX7 InChI InChI 1.03 "InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H2,42,43,44)/b19-17-,20-18-/t37-/m1/s1" MX7 InChIKey InChI 1.03 MHUWZNTUIIFHAS-DSSVUWSHSA-N MX7 SMILES_CANONICAL CACTVS 3.385 "CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC" MX7 SMILES CACTVS 3.385 "CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCCCCC=CCCCCCCCC" MX7 SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC" MX7 SMILES "OpenEye OEToolkits" 1.7.6 "CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)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 MX7 "SYSTEMATIC NAME" ACDLabs 12.01 "(2R)-3-(phosphonooxy)propane-1,2-diyl (9Z,9'Z)bis-octadec-9-enoate" MX7 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "[(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxy-propyl] (Z)-octadec-9-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 MX7 "Create component" 2013-09-30 RCSB MX7 "Initial release" 2014-10-01 RCSB MX7 "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id MX7 _pdbx_chem_comp_synonyms.name "dioleoyl-phosphatidic acid" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##