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 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 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 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" PGW InChI InChI 1.03 "InChI=1S/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" PGW InChIKey InChI 1.03 PAZGBAOHGQRCBP-HGWHEPCSSA-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 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" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site PGW "Create component" 2007-11-02 RCSB PGW "Modify descriptor" 2011-06-04 RCSB PGW "Modify synonyms" 2020-06-05 PDBE # # loop_ _pdbx_chem_comp_synonyms.ordinal _pdbx_chem_comp_synonyms.comp_id _pdbx_chem_comp_synonyms.name _pdbx_chem_comp_synonyms.provenance _pdbx_chem_comp_synonyms.type 1 PGW "1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)]" ? ? 2 PGW PHOSPHATIDYLGLYCEROL ? ? ##