data_ZPE # _chem_comp.id ZPE _chem_comp.name "(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C37 H70 N O8 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2013-03-11 _chem_comp.pdbx_modified_date 2013-11-01 _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 687.927 _chem_comp.one_letter_code ? _chem_comp.three_letter_code ZPE _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 4G32 _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 ZPE N N N 0 1 N N N -24.603 9.178 -21.515 2.766 -2.671 -2.125 N ZPE 1 ZPE P P P 0 1 N N N -28.778 8.909 -21.207 -1.115 -4.618 -1.408 P ZPE 2 ZPE "C'" "C'" C 0 1 N N N -28.111 6.190 -16.789 -5.343 -2.512 0.809 "C'" ZPE 3 ZPE "O'" "O'" O 0 1 N N N -28.555 6.413 -15.655 -5.931 -3.514 1.138 "O'" ZPE 4 ZPE C1 C1 C 0 1 N N N -29.655 8.479 -18.801 -2.875 -4.509 0.600 C1 ZPE 5 ZPE C2 C2 C 0 1 N N R -29.903 7.299 -17.872 -3.369 -3.533 1.670 C2 ZPE 6 ZPE O2 O2 O 0 1 N N N -28.819 6.348 -17.944 -4.023 -2.405 1.031 O2 ZPE 7 ZPE C3 C3 C 0 1 N N N -31.123 6.557 -18.336 -2.180 -3.034 2.493 C3 ZPE 8 ZPE O3 O3 O 0 1 N N N -31.381 5.606 -17.307 -1.182 -2.463 1.605 O3 ZPE 9 ZPE C4 C4 C 0 1 N N N -26.423 7.845 -20.534 0.962 -4.077 -3.000 C4 ZPE 10 ZPE C5 C5 C 0 1 N N N -24.961 8.284 -20.388 1.934 -2.936 -3.306 C5 ZPE 11 ZPE CB CB C 0 1 N N N -32.284 4.665 -17.657 -0.068 -1.976 2.173 CB ZPE 12 ZPE OB OB O 0 1 N N N -32.920 4.630 -18.714 0.069 -2.024 3.373 OB ZPE 13 ZPE "C1'" "C1'" C 0 1 N N N -26.696 5.623 -17.004 -6.090 -1.381 0.150 "C1'" ZPE 14 ZPE C1B C1B C 0 1 N N N -32.385 3.537 -16.649 1.012 -1.368 1.315 C1B ZPE 15 ZPE O1P O1P O 0 1 N N N -29.335 10.277 -21.144 -2.178 -4.927 -2.578 O1P ZPE 16 ZPE "C2'" "C2'" C 0 1 N N N -26.671 4.162 -16.577 -7.567 -1.756 0.016 "C2'" ZPE 17 ZPE C2B C2B C 0 1 N N N -31.033 2.896 -16.367 2.163 -0.894 2.204 C2B ZPE 18 ZPE O2P O2P O 0 1 N N N -28.792 8.159 -22.487 -0.524 -5.888 -0.931 O2P ZPE 19 ZPE "C3'" "C3'" C 0 1 N N N -26.597 4.001 -15.047 -8.326 -0.608 -0.653 "C3'" ZPE 20 ZPE C3B C3B C 0 1 N N N -30.582 2.147 -17.614 3.259 -0.277 1.333 C3B ZPE 21 ZPE O3P O3P O 0 1 N N N -29.508 7.997 -20.137 -1.861 -3.880 -0.187 O3P ZPE 22 ZPE "C4'" "C4'" C 0 1 N N N -25.280 3.290 -14.646 -9.781 -0.976 -0.785 "C4'" ZPE 23 ZPE C4B C4B C 0 1 N N N -29.245 1.454 -17.390 4.410 0.198 2.222 C4B ZPE 24 ZPE O4P O4P O 0 1 N N N -27.275 8.993 -20.634 0.049 -3.665 -1.980 O4P ZPE 25 ZPE "C5'" "C5'" C 0 1 N N N -25.204 3.064 -13.113 -10.706 -0.164 -0.336 "C5'" ZPE 26 ZPE C5B C5B C 0 1 N N N -28.508 1.294 -18.752 5.506 0.814 1.351 C5B ZPE 27 ZPE "C6'" "C6'" C 0 1 N N N -25.043 4.391 -12.326 -10.328 1.209 0.157 "C6'" ZPE 28 ZPE C6B C6B C 0 1 N N N -29.281 0.390 -19.749 6.658 1.289 2.240 C6B ZPE 29 ZPE "C7'" "C7'" C 0 1 N N N -23.621 4.500 -11.805 -11.168 2.260 -0.571 "C7'" ZPE 30 ZPE C7B C7B C 0 1 N N N -29.473 -1.005 -19.144 7.754 1.906 1.369 C7B ZPE 31 ZPE "C8'" "C8'" C 0 1 N N N -23.339 5.838 -11.092 -10.785 3.655 -0.071 "C8'" ZPE 32 ZPE C8B C8B C 0 1 N N N -29.731 -2.042 -20.238 8.905 2.381 2.258 C8B ZPE 33 ZPE "C9'" "C9'" C 0 1 N N N -22.099 5.726 -10.154 -11.625 4.706 -0.798 "C9'" ZPE 34 ZPE C9B C9B C 0 1 N N N -29.838 -3.417 -19.552 10.001 2.997 1.387 C9B ZPE 35 ZPE "CA'" "CA'" C 0 1 N N N -20.740 6.071 -10.815 -11.241 6.100 -0.298 "CA'" ZPE 36 ZPE CAA CAA C 0 1 N N N -30.341 -4.426 -20.568 11.135 3.465 2.263 CAA ZPE 37 ZPE "CB'" "CB'" C 0 1 N N N -20.538 5.251 -12.082 -12.081 7.152 -1.026 "CB'" ZPE 38 ZPE CBA CBA C 0 1 N N N -29.493 -5.412 -21.289 12.362 3.083 2.005 CBA ZPE 39 ZPE "CC'" "CC'" C 0 1 N N N -19.087 5.177 -12.515 -11.698 8.546 -0.526 "CC'" ZPE 40 ZPE CCA CCA C 0 1 N N N -27.979 -5.467 -21.174 12.664 2.319 0.742 CCA ZPE 41 ZPE "CD'" "CD'" C 0 1 N N N -19.043 4.250 -13.728 -12.538 9.598 -1.253 "CD'" ZPE 42 ZPE CDA CDA C 0 1 N N N -27.499 -6.824 -20.726 13.785 3.023 -0.024 CDA ZPE 43 ZPE CEA CEA C 0 1 N N N -25.967 -6.944 -20.838 14.092 2.248 -1.307 CEA ZPE 44 ZPE CFA CFA C 0 1 N N N -25.255 -6.021 -19.855 15.214 2.952 -2.073 CFA ZPE 45 ZPE CGA CGA C 0 1 N N N -23.752 -6.119 -20.076 15.521 2.177 -3.355 CGA ZPE 46 ZPE CHA CHA C 0 1 N N N -22.980 -5.050 -19.314 16.642 2.881 -4.121 CHA ZPE 47 ZPE HN HN H 0 1 N N N -23.650 9.466 -21.423 3.417 -1.921 -2.301 HN ZPE 48 ZPE HNA HNA H 0 1 N N N -24.721 8.689 -22.379 2.194 -2.471 -1.317 HNA ZPE 49 ZPE H1 H1 H 0 1 N N N -30.507 9.173 -18.751 -2.463 -5.397 1.080 H1 ZPE 50 ZPE H1A H1A H 0 1 N N N -28.737 9.003 -18.495 -3.707 -4.796 -0.042 H1A ZPE 51 ZPE H2 H2 H 0 1 N N N -30.046 7.657 -16.842 -4.077 -4.040 2.325 H2 ZPE 52 ZPE H3 H3 H 0 1 N N N -31.974 7.244 -18.452 -2.518 -2.273 3.196 H3 ZPE 53 ZPE H3A H3A H 0 1 N N N -30.928 6.050 -19.293 -1.743 -3.867 3.043 H3A ZPE 54 ZPE H4 H4 H 0 1 N N N -26.530 7.233 -21.441 0.406 -4.333 -3.902 H4 ZPE 55 ZPE H4A H4A H 0 1 N N N -26.714 7.252 -19.655 1.520 -4.948 -2.658 H4A ZPE 56 ZPE H5 H5 H 0 1 N N N -24.309 7.398 -20.400 1.371 -2.038 -3.563 H5 ZPE 57 ZPE H5A H5A H 0 1 N N N -24.832 8.822 -19.437 2.572 -3.217 -4.144 H5A ZPE 58 ZPE "H1'" "H1'" H 0 1 N N N -26.427 5.700 -18.068 -5.997 -0.481 0.758 "H1'" ZPE 59 ZPE "H1'A" "H1'A" H 0 0 N N N -25.975 6.195 -16.401 -5.671 -1.196 -0.839 "H1'A" ZPE 60 ZPE H1B H1B H 0 1 N N N -32.790 3.938 -15.708 1.380 -2.115 0.612 H1B ZPE 61 ZPE H1BA H1BA H 0 0 N N N -33.066 2.769 -17.044 0.604 -0.521 0.765 H1BA ZPE 62 ZPE HO1P HO1P H 0 0 N N N -29.660 10.527 -22.001 -2.606 -4.139 -2.939 HO1P ZPE 63 ZPE "H2'" "H2'" H 0 1 N N N -27.586 3.672 -16.940 -7.660 -2.656 -0.591 "H2'" ZPE 64 ZPE "H2'A" "H2'A" H 0 0 N N N -25.792 3.677 -17.027 -7.986 -1.940 1.005 "H2'A" ZPE 65 ZPE H2B H2B H 0 1 N N N -30.298 3.675 -16.117 1.795 -0.147 2.908 H2B ZPE 66 ZPE H2BA H2BA H 0 0 N N N -31.124 2.194 -15.525 2.570 -1.742 2.755 H2BA ZPE 67 ZPE "H3'" "H3'" H 0 1 N N N -26.632 4.994 -14.575 -8.233 0.292 -0.045 "H3'" ZPE 68 ZPE "H3'A" "H3'A" H 0 0 N N N -27.453 3.401 -14.703 -7.906 -0.423 -1.642 "H3'A" ZPE 69 ZPE H3B H3B H 0 1 N N N -31.339 1.391 -17.871 3.627 -1.024 0.630 H3B ZPE 70 ZPE H3BA H3BA H 0 0 N N N -30.481 2.862 -18.444 2.852 0.571 0.783 H3BA ZPE 71 ZPE "H4'" "H4'" H 0 1 N N N -24.513 2.990 -15.345 -10.061 -1.910 -1.250 "H4'" ZPE 72 ZPE H4B H4B H 0 1 N N N -28.628 2.058 -16.708 4.042 0.944 2.926 H4B ZPE 73 ZPE H4BA H4BA H 0 0 N N N -29.416 0.462 -16.947 4.818 -0.650 2.773 H4BA ZPE 74 ZPE "H5'" "H5'" H 0 1 N N N -25.257 2.092 -12.646 -11.739 -0.479 -0.318 "H5'" ZPE 75 ZPE H5B H5B H 0 1 N N N -28.383 2.289 -19.204 5.875 0.068 0.648 H5B ZPE 76 ZPE H5BA H5BA H 0 0 N N N -27.519 0.849 -18.567 5.099 1.662 0.801 H5BA ZPE 77 ZPE "H6'" "H6'" H 0 1 N N N -25.256 5.240 -12.992 -10.514 1.274 1.229 "H6'" ZPE 78 ZPE "H6'A" "H6'A" H 0 0 N N N -25.746 4.403 -11.480 -9.271 1.388 -0.040 "H6'A" ZPE 79 ZPE H6B H6B H 0 1 N N N -30.265 0.836 -19.959 6.290 2.036 2.944 H6B ZPE 80 ZPE H6BA H6BA H 0 0 N N N -28.709 0.306 -20.685 7.065 0.441 2.791 H6BA ZPE 81 ZPE "H7'" "H7'" H 0 1 N N N -23.445 3.680 -11.093 -10.982 2.195 -1.643 "H7'" ZPE 82 ZPE "H7'A" "H7'A" H 0 0 N N N -22.929 4.403 -12.654 -12.225 2.081 -0.373 "H7'A" ZPE 83 ZPE H7B H7B H 0 1 N N N -28.566 -1.285 -18.589 8.122 1.159 0.665 H7B ZPE 84 ZPE H7BA H7BA H 0 0 N N N -30.332 -0.985 -18.457 7.346 2.754 0.819 H7BA ZPE 85 ZPE "H8'" "H8'" H 0 1 N N N -23.148 6.614 -11.848 -10.970 3.720 1.002 "H8'" ZPE 86 ZPE "H8'A" "H8'A" H 0 0 N N N -24.218 6.118 -10.493 -9.728 3.834 -0.268 "H8'A" ZPE 87 ZPE H8B H8B H 0 1 N N N -30.669 -1.809 -20.763 8.537 3.127 2.961 H8B ZPE 88 ZPE H8BA H8BA H 0 0 N N N -28.899 -2.044 -20.958 9.313 1.533 2.809 H8BA ZPE 89 ZPE "H9'" "H9'" H 0 1 N N N -22.250 6.412 -9.307 -11.439 4.641 -1.870 "H9'" ZPE 90 ZPE "H9'A" "H9'A" H 0 0 N N N -22.045 4.692 -9.783 -12.682 4.527 -0.601 "H9'A" ZPE 91 ZPE H9B H9B H 0 1 N N N -28.849 -3.725 -19.182 10.370 2.251 0.683 H9B ZPE 92 ZPE H9BA H9BA H 0 0 N N N -30.542 -3.357 -18.709 9.594 3.845 0.836 H9BA ZPE 93 ZPE "HA'" "HA'" H 0 1 N N N -20.723 7.141 -11.070 -11.427 6.166 0.774 "HA'" ZPE 94 ZPE "HA'A" "HA'A" H 0 0 N N N -19.927 5.850 -10.108 -10.184 6.279 -0.495 "HA'A" ZPE 95 ZPE HAA HAA H 0 1 N N N -31.399 -4.428 -20.785 10.937 4.115 3.102 HAA ZPE 96 ZPE "HB'" "HB'" H 0 1 N N N -20.902 4.229 -11.900 -11.896 7.087 -2.098 "HB'" ZPE 97 ZPE "HB'A" "HB'A" H 0 0 N N N -21.123 5.709 -12.893 -13.138 6.973 -0.828 "HB'A" ZPE 98 ZPE HBA HBA H 0 1 N N N -29.981 -6.130 -21.931 13.156 3.316 2.699 HBA ZPE 99 ZPE "HC'" "HC'" H 0 1 N N N -18.720 6.178 -12.788 -11.884 8.611 0.547 "HC'" ZPE 100 ZPE "HC'A" "HC'A" H 0 0 N N N -18.468 4.769 -11.702 -10.641 8.725 -0.723 "HC'A" ZPE 101 ZPE HCA HCA H 0 1 N N N -27.539 -5.241 -22.156 12.977 1.306 0.996 HCA ZPE 102 ZPE HCAA HCAA H 0 0 N N N -27.650 -4.714 -20.443 11.770 2.277 0.120 HCAA ZPE 103 ZPE "HD'" "HD'" H 0 1 N N N -18.006 4.161 -14.085 -12.352 9.533 -2.325 "HD'" ZPE 104 ZPE "HD'A" "HD'A" H 0 0 N N N -19.420 3.256 -13.444 -13.595 9.419 -1.056 "HD'A" ZPE 105 ZPE "HD'B" "HD'B" H 0 0 N N N -19.672 4.665 -14.529 -12.265 10.591 -0.897 "HD'B" ZPE 106 ZPE HDA HDA H 0 1 N N N -27.794 -6.980 -19.678 13.472 4.036 -0.278 HDA ZPE 107 ZPE HDAA HDAA H 0 0 N N N -27.965 -7.595 -21.357 14.680 3.065 0.598 HDAA ZPE 108 ZPE HEA HEA H 0 1 N N N -25.675 -7.983 -20.627 14.406 1.235 -1.053 HEA ZPE 109 ZPE HEAA HEAA H 0 0 N N N -25.663 -6.678 -21.861 13.198 2.206 -1.929 HEAA ZPE 110 ZPE HFA HFA H 0 1 N N N -25.584 -4.984 -20.019 14.900 3.965 -2.326 HFA ZPE 111 ZPE HFAA HFAA H 0 0 N N N -25.496 -6.324 -18.825 16.108 2.994 -1.451 HFAA ZPE 112 ZPE HGA HGA H 0 1 N N N -23.410 -7.109 -19.740 15.834 1.164 -3.101 HGA ZPE 113 ZPE HGAA HGAA H 0 0 N N N -23.545 -6.005 -21.150 14.626 2.135 -3.977 HGAA ZPE 114 ZPE HHA HHA H 0 1 N N N -21.903 -5.166 -19.508 16.329 3.894 -4.375 HHA ZPE 115 ZPE HHAA HHAA H 0 0 N N N -23.307 -4.054 -19.647 17.536 2.923 -3.499 HHAA ZPE 116 ZPE HHAB HHAB H 0 0 N N N -23.172 -5.158 -18.236 16.861 2.328 -5.035 HHAB ZPE 117 # 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 ZPE N C5 SING N N 1 ZPE P O1P SING N N 2 ZPE P O4P SING N N 3 ZPE P O3P SING N N 4 ZPE "C'" "O'" DOUB N N 5 ZPE C1 C2 SING N N 6 ZPE O2 "C'" SING N N 7 ZPE O2 C2 SING N N 8 ZPE C3 C2 SING N N 9 ZPE C3 O3 SING N N 10 ZPE C4 C5 SING N N 11 ZPE CB O3 SING N N 12 ZPE CB C1B SING N N 13 ZPE OB CB DOUB N N 14 ZPE "C1'" "C'" SING N N 15 ZPE "C1'" "C2'" SING N N 16 ZPE C1B C2B SING N N 17 ZPE "C2'" "C3'" SING N N 18 ZPE O2P P DOUB N N 19 ZPE "C3'" "C4'" SING N N 20 ZPE C3B C2B SING N N 21 ZPE C3B C4B SING N N 22 ZPE O3P C1 SING N N 23 ZPE "C4'" "C5'" DOUB N Z 24 ZPE O4P C4 SING N N 25 ZPE "C5'" "C6'" SING N N 26 ZPE C5B C4B SING N N 27 ZPE "C6'" "C7'" SING N N 28 ZPE C6B C5B SING N N 29 ZPE C6B C7B SING N N 30 ZPE "C7'" "C8'" SING N N 31 ZPE "C8'" "C9'" SING N N 32 ZPE C8B C7B SING N N 33 ZPE C8B C9B SING N N 34 ZPE "CA'" "C9'" SING N N 35 ZPE CAA C9B SING N N 36 ZPE "CB'" "CA'" SING N N 37 ZPE CBA CAA DOUB N Z 38 ZPE CBA CCA SING N N 39 ZPE "CC'" "CB'" SING N N 40 ZPE CCA CDA SING N N 41 ZPE "CD'" "CC'" SING N N 42 ZPE CEA CDA SING N N 43 ZPE CEA CFA SING N N 44 ZPE CGA CFA SING N N 45 ZPE CGA CHA SING N N 46 ZPE N HN SING N N 47 ZPE N HNA SING N N 48 ZPE C1 H1 SING N N 49 ZPE C1 H1A SING N N 50 ZPE C2 H2 SING N N 51 ZPE C3 H3 SING N N 52 ZPE C3 H3A SING N N 53 ZPE C4 H4 SING N N 54 ZPE C4 H4A SING N N 55 ZPE C5 H5 SING N N 56 ZPE C5 H5A SING N N 57 ZPE "C1'" "H1'" SING N N 58 ZPE "C1'" "H1'A" SING N N 59 ZPE C1B H1B SING N N 60 ZPE C1B H1BA SING N N 61 ZPE O1P HO1P SING N N 62 ZPE "C2'" "H2'" SING N N 63 ZPE "C2'" "H2'A" SING N N 64 ZPE C2B H2B SING N N 65 ZPE C2B H2BA SING N N 66 ZPE "C3'" "H3'" SING N N 67 ZPE "C3'" "H3'A" SING N N 68 ZPE C3B H3B SING N N 69 ZPE C3B H3BA SING N N 70 ZPE "C4'" "H4'" SING N N 71 ZPE C4B H4B SING N N 72 ZPE C4B H4BA SING N N 73 ZPE "C5'" "H5'" SING N N 74 ZPE C5B H5B SING N N 75 ZPE C5B H5BA SING N N 76 ZPE "C6'" "H6'" SING N N 77 ZPE "C6'" "H6'A" SING N N 78 ZPE C6B H6B SING N N 79 ZPE C6B H6BA SING N N 80 ZPE "C7'" "H7'" SING N N 81 ZPE "C7'" "H7'A" SING N N 82 ZPE C7B H7B SING N N 83 ZPE C7B H7BA SING N N 84 ZPE "C8'" "H8'" SING N N 85 ZPE "C8'" "H8'A" SING N N 86 ZPE C8B H8B SING N N 87 ZPE C8B H8BA SING N N 88 ZPE "C9'" "H9'" SING N N 89 ZPE "C9'" "H9'A" SING N N 90 ZPE C9B H9B SING N N 91 ZPE C9B H9BA SING N N 92 ZPE "CA'" "HA'" SING N N 93 ZPE "CA'" "HA'A" SING N N 94 ZPE CAA HAA SING N N 95 ZPE "CB'" "HB'" SING N N 96 ZPE "CB'" "HB'A" SING N N 97 ZPE CBA HBA SING N N 98 ZPE "CC'" "HC'" SING N N 99 ZPE "CC'" "HC'A" SING N N 100 ZPE CCA HCA SING N N 101 ZPE CCA HCAA SING N N 102 ZPE "CD'" "HD'" SING N N 103 ZPE "CD'" "HD'A" SING N N 104 ZPE "CD'" "HD'B" SING N N 105 ZPE CDA HDA SING N N 106 ZPE CDA HDAA SING N N 107 ZPE CEA HEA SING N N 108 ZPE CEA HEAA SING N N 109 ZPE CFA HFA SING N N 110 ZPE CFA HFAA SING N N 111 ZPE CGA HGA SING N N 112 ZPE CGA HGAA SING N N 113 ZPE CHA HHA SING N N 114 ZPE CHA HHAA SING N N 115 ZPE CHA HHAB SING N N 116 # 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 ZPE SMILES ACDLabs 12.01 "O=C(OCC(OC(=O)CCC\C=C/CCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCC\C=C/CCCCCC" ZPE InChI InChI 1.03 "InChI=1S/C37H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-21-23-25-27-29-36(39)43-33-35(34-45-47(41,42)44-32-31-38)46-37(40)30-28-26-24-22-19-14-12-10-8-6-4-2/h13,15,22,24,35H,3-12,14,16-21,23,25-34,38H2,1-2H3,(H,41,42)/b15-13-,24-22?/t35-/m1/s1" ZPE InChIKey InChI 1.03 SWNDXEVFPWKPGK-SPZKJSGBSA-N ZPE SMILES_CANONICAL CACTVS 3.370 "CCCCCCCC\C=C/CCCC(=O)O[C@H](COC(=O)CCCCCCCCC\C=C/CCCCCC)CO[P](O)(=O)OCCN" ZPE SMILES CACTVS 3.370 "CCCCCCCCC=CCCCC(=O)O[CH](COC(=O)CCCCCCCCCC=CCCCCCC)CO[P](O)(=O)OCCN" ZPE SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)CO[P@@](=O)(O)OCCN" ZPE SMILES "OpenEye OEToolkits" 1.7.6 "CCCCCCCCC=CCCCC(=O)OC(COC(=O)CCCCCCCCCC=CCCCCCC)COP(=O)(O)OCCN" # 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 ZPE "SYSTEMATIC NAME" ACDLabs 12.01 "(2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-[(5Z)-tetradec-5-enoyloxy]propyl (11Z)-octadec-11-enoate" ZPE "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "[(2R)-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-tetradec-5-enoyloxy-propyl] (Z)-octadec-11-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 ZPE "Create component" 2013-03-11 RCSB ZPE "Initial release" 2013-11-06 RCSB #