data_J7Z # _chem_comp.id J7Z _chem_comp.name "(2S)-3-[(6-O-alpha-D-galactopyranosyl-beta-D-galactopyranosyl)oxy]-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C53 H80 O15" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2009-08-06 _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 957.193 _chem_comp.one_letter_code ? _chem_comp.three_letter_code J7Z _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 3IIS _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 J7Z C1A C1A C 0 1 N N N 2.709 12.674 -11.743 0.010 -1.439 -0.807 C1A J7Z 1 J7Z O1A O1A O 0 1 N N N 1.692 13.185 -11.352 -0.033 -1.551 -2.009 O1A J7Z 2 J7Z C1B C1B C 0 1 N N N 3.606 11.870 -15.979 -4.342 1.328 1.030 C1B J7Z 3 J7Z O1B O1B O 0 1 N N N 4.773 12.188 -15.800 -4.530 2.452 0.630 O1B J7Z 4 J7Z C1D C1D C 0 1 N N R 3.733 15.852 -17.682 0.476 1.846 2.289 C1D J7Z 5 J7Z C1E C1E C 0 1 N N S 4.207 21.580 -19.185 3.513 5.667 -0.357 C1E J7Z 6 J7Z C1G C1G C 0 1 N N N 2.455 14.073 -13.687 -1.533 0.362 -1.041 C1G J7Z 7 J7Z O1G O1G O 0 1 N N N 3.200 13.073 -12.977 -0.718 -0.491 -0.196 O1G J7Z 8 J7Z C2A C2A C 0 1 N N N 3.536 11.641 -11.041 0.876 -2.366 0.006 C2A J7Z 9 J7Z C2B C2B C 0 1 N N N 3.270 10.453 -16.413 -5.363 0.663 1.917 C2B J7Z 10 J7Z C2D C2D C 0 1 N N R 4.366 15.217 -18.931 1.175 0.779 3.135 C2D J7Z 11 J7Z O2D O2D O 0 1 N N N 5.144 14.107 -18.492 0.219 0.139 3.982 O2D J7Z 12 J7Z C2E C2E C 0 1 N N R 5.529 22.247 -19.576 2.737 6.884 -0.865 C2E J7Z 13 J7Z O2E O2E O 0 1 N N N 6.409 21.354 -20.267 2.351 7.700 0.242 O2E J7Z 14 J7Z C2G C2G C 0 1 N N S 2.973 14.057 -15.119 -2.285 1.373 -0.172 C2G J7Z 15 J7Z O2G O2G O 0 1 N N N 2.575 12.796 -15.652 -3.224 0.671 0.684 O2G J7Z 16 J7Z C3A C3A C 0 1 N N N 2.929 11.189 -9.722 1.588 -3.347 -0.927 C3A J7Z 17 J7Z C3B C3B C 0 1 N N N 2.305 9.890 -15.385 -6.514 1.606 2.153 C3B J7Z 18 J7Z C3D C3D C 0 1 N N S 5.269 16.263 -19.603 2.255 1.446 3.993 C3D J7Z 19 J7Z O3D O3D O 0 1 N N N 5.685 15.728 -20.874 2.962 0.448 4.732 O3D J7Z 20 J7Z C3E C3E C 0 1 N N S 6.344 22.643 -18.337 1.487 6.408 -1.612 C3E J7Z 21 J7Z O3E O3E O 0 1 N N N 7.434 23.528 -18.727 0.795 7.536 -2.153 O3E J7Z 22 J7Z C3G C3G C 0 1 N N N 2.259 15.109 -15.943 -1.286 2.145 0.691 C3G J7Z 23 J7Z O3G O3G O 0 1 N N N 2.682 14.987 -17.303 -0.495 1.224 1.444 O3G J7Z 24 J7Z C4A C4A C 0 1 N N N 1.772 10.217 -9.964 2.468 -4.289 -0.101 C4A J7Z 25 J7Z C4B C4B C 0 1 N N N 2.617 9.124 -14.318 -7.742 1.212 1.920 C4B J7Z 26 J7Z C4D C4D C 0 1 N N R 4.599 17.619 -19.780 3.229 2.193 3.078 C4D J7Z 27 J7Z O4D O4D O 0 1 N N N 3.508 17.529 -20.708 3.888 1.261 2.218 O4D J7Z 28 J7Z C4E C4E C 0 1 N N R 5.522 23.241 -17.195 1.910 5.473 -2.749 C4E J7Z 29 J7Z O4E O4E O 0 1 N N N 5.264 24.619 -17.505 2.714 6.193 -3.685 O4E J7Z 30 J7Z C5A C5A C 0 1 N N N 1.219 9.695 -8.628 3.169 -5.255 -1.020 C5A J7Z 31 J7Z C5B C5B C 0 1 N N N 3.970 8.575 -13.879 -8.022 -0.234 1.601 C5B J7Z 32 J7Z C5D C5D C 0 1 N N R 4.109 18.036 -18.402 2.451 3.206 2.234 C5D J7Z 33 J7Z O5D O5D O 0 1 N N N 4.568 20.336 -18.555 2.705 4.939 0.570 O5D J7Z 34 J7Z C5E C5E C 0 1 N N R 4.186 22.523 -16.960 2.718 4.310 -2.168 C5E J7Z 35 J7Z O5E O5E O 0 1 N N N 1.938 22.740 -16.029 3.849 2.256 -2.756 O5E J7Z 36 J7Z C6A C6A C 0 1 N N N 1.336 8.439 -8.182 4.473 -5.376 -0.972 C6A J7Z 37 J7Z C6B C6B C 0 1 N N N 3.881 8.062 -12.438 -9.096 -0.752 2.522 C6B J7Z 38 J7Z C6D C6D C 0 1 N N N 3.485 19.420 -18.409 3.409 3.914 1.275 C6D J7Z 39 J7Z O6D O6D O 0 1 N N N 3.116 17.102 -17.963 1.443 2.524 1.485 O6D J7Z 40 J7Z C6E C6E C 0 1 N N N 3.286 23.225 -15.932 3.195 3.402 -3.304 C6E J7Z 41 J7Z O6E O6E O 0 1 N N N 3.504 22.388 -18.215 3.849 4.823 -1.461 O6E J7Z 42 J7Z C7A C7A C 0 1 N N N 2.028 7.323 -8.936 5.253 -4.689 0.119 C7A J7Z 43 J7Z C7B C7B C 0 1 N N N 4.788 8.232 -11.484 -10.167 -1.320 2.024 C7B J7Z 44 J7Z C8A C8A C 0 1 N N N 3.317 7.007 -8.220 6.115 -5.699 0.832 C8A J7Z 45 J7Z C8B C8B C 0 1 N N N 6.196 8.798 -11.603 -10.245 -1.620 0.550 C8B J7Z 46 J7Z C9A C9A C 0 1 N N N 3.525 5.994 -7.351 7.403 -5.492 0.952 C9A J7Z 47 J7Z C9B C9B C 0 1 N N N 7.170 7.671 -11.928 -10.574 -3.077 0.351 C9B J7Z 48 J7Z CAA CAA C 0 1 N N N 2.560 4.911 -6.897 7.995 -4.167 0.545 CAA J7Z 49 J7Z CAB CAB C 0 1 N N N 8.078 7.121 -11.116 -11.699 -3.421 -0.227 CAB J7Z 50 J7Z CBA CBA C 0 1 N N N 3.045 3.557 -7.431 8.789 -3.597 1.692 CBA J7Z 51 J7Z CBB CBB C 0 1 N N N 8.347 7.431 -9.657 -12.748 -2.379 -0.514 CBB J7Z 52 J7Z CCA CCA C 0 1 N N N 3.579 2.528 -6.754 10.030 -3.220 1.506 CCA J7Z 53 J7Z CCB CCB C 0 1 N N N 8.992 6.204 -9.081 -12.946 -2.263 -2.004 CCB J7Z 54 J7Z CDA CDA C 0 1 N N N 3.741 2.534 -5.242 10.604 -3.177 0.113 CDA J7Z 55 J7Z CDB CDB C 0 1 N N N 8.424 5.393 -8.163 -14.144 -2.386 -2.517 CDB J7Z 56 J7Z CEA CEA C 0 1 N N N 4.983 1.725 -4.931 11.209 -1.820 -0.139 CEA J7Z 57 J7Z CEB CEB C 0 1 N N N 7.055 5.591 -7.572 -15.346 -2.470 -1.612 CEB J7Z 58 J7Z CFA CFA C 0 1 N N N 5.022 0.696 -4.083 12.443 -1.722 -0.568 CFA J7Z 59 J7Z CFB CFB C 0 1 N N N 6.820 4.693 -6.373 -16.366 -1.443 -2.033 CFB J7Z 60 J7Z CGA CGA C 0 1 N N N 3.845 0.158 -3.315 13.194 -2.959 -0.989 CGA J7Z 61 J7Z CGB CGB C 0 1 N N N 7.460 4.797 -5.215 -17.603 -1.805 -2.264 CGB J7Z 62 J7Z CHA CHA C 0 1 N N N 4.277 -0.174 -1.904 13.759 -2.757 -2.372 CHA J7Z 63 J7Z CHB CHB C 0 1 N N N 8.599 5.743 -4.890 -18.055 -3.203 -1.929 CHB J7Z 64 J7Z CIA CIA C 0 1 N N N 4.240 -1.402 -1.365 15.033 -2.968 -2.596 CIA J7Z 65 J7Z CIB CIB C 0 1 N N N 9.822 5.022 -4.371 -19.310 -3.138 -1.057 CIB J7Z 66 J7Z CJA CJA C 0 1 N N N 3.823 -2.625 -2.135 15.896 -3.576 -1.521 CJA J7Z 67 J7Z CKA CKA C 0 1 N N N 3.124 -3.606 -1.220 16.613 -4.807 -2.079 CKA J7Z 68 J7Z H1D H1D H 0 1 N N N 4.516 16.001 -16.924 -0.019 2.563 2.944 H1D J7Z 69 J7Z H1E H1E H 0 1 N N N 3.560 21.445 -20.065 4.426 5.998 0.138 H1E J7Z 70 J7Z H1G H1G H 0 1 N N N 1.380 13.842 -13.663 -0.894 0.894 -1.746 H1G J7Z 71 J7Z H1GA H1GA H 0 0 N N N 2.608 15.063 -13.233 -2.250 -0.249 -1.590 H1GA J7Z 72 J7Z H2A H2A H 0 1 N N N 3.625 10.764 -11.699 1.616 -1.784 0.555 H2A J7Z 73 J7Z H2AA H2AA H 0 0 N N N 4.527 12.073 -10.835 0.255 -2.919 0.710 H2AA J7Z 74 J7Z H2B H2B H 0 1 N N N 2.805 10.460 -17.410 -5.729 -0.243 1.434 H2B J7Z 75 J7Z H2BA H2BA H 0 0 N N N 4.183 9.840 -16.455 -4.903 0.406 2.871 H2BA J7Z 76 J7Z H2D H2D H 0 1 N N N 3.604 14.885 -19.652 1.635 0.038 2.480 H2D J7Z 77 J7Z HO2D HO2D H 0 0 N N N 5.551 13.689 -19.242 -0.498 -0.301 3.505 HO2D J7Z 78 J7Z H2E H2E H 0 1 N N N 5.227 23.104 -20.196 3.368 7.462 -1.541 H2E J7Z 79 J7Z HO2E HO2E H 0 0 N N N 7.213 21.809 -20.489 3.093 8.033 0.764 HO2E J7Z 80 J7Z H2G H2G H 0 1 N N N 4.058 14.236 -15.141 -2.827 2.069 -0.812 H2G J7Z 81 J7Z H3A H3A H 0 1 N N N 3.703 10.685 -9.124 0.848 -3.930 -1.475 H3A J7Z 82 J7Z H3AA H3AA H 0 0 N N N 2.552 12.069 -9.180 2.210 -2.794 -1.630 H3AA J7Z 83 J7Z H3B H3B H 0 1 N N N 1.260 10.127 -15.522 -6.327 2.607 2.513 H3B J7Z 84 J7Z H3D H3D H 0 1 N N N 6.132 16.452 -18.947 1.789 2.149 4.684 H3D J7Z 85 J7Z HO3D HO3D H 0 0 N N N 6.247 16.356 -21.314 2.404 -0.070 5.328 HO3D J7Z 86 J7Z H3E H3E H 0 1 N N N 6.749 21.708 -17.923 0.832 5.875 -0.923 H3E J7Z 87 J7Z HO3E HO3E H 0 0 N N N 7.936 23.771 -17.958 0.504 8.174 -1.488 HO3E J7Z 88 J7Z H3G H3G H 0 1 N N N 1.171 14.958 -15.877 -0.637 2.742 0.050 H3G J7Z 89 J7Z H3GA H3GA H 0 0 N N N 2.509 16.111 -15.564 -1.827 2.802 1.373 H3GA J7Z 90 J7Z H4A H4A H 0 1 N N N 0.970 10.739 -10.507 3.208 -3.707 0.448 H4A J7Z 91 J7Z H4AA H4AA H 0 0 N N N 2.134 9.367 -10.561 1.846 -4.842 0.603 H4AA J7Z 92 J7Z H4B H4B H 0 1 N N N 1.785 8.861 -13.681 -8.554 1.924 1.957 H4B J7Z 93 J7Z H4D H4D H 0 1 N N N 5.300 18.360 -20.190 3.970 2.716 3.684 H4D J7Z 94 J7Z HO4D HO4D H 0 0 N N N 3.103 18.383 -20.805 4.398 0.586 2.687 HO4D J7Z 95 J7Z H4E H4E H 0 1 N N N 6.107 23.126 -16.271 1.023 5.087 -3.251 H4E J7Z 96 J7Z HO4E HO4E H 0 0 N N N 4.753 25.011 -16.807 2.266 6.948 -4.090 HO4E J7Z 97 J7Z H5A H5A H 0 1 N N N 0.694 10.399 -7.999 2.598 -5.849 -1.717 H5A J7Z 98 J7Z H5B H5B H 0 1 N N N 4.260 7.747 -14.543 -8.356 -0.320 0.568 H5B J7Z 99 J7Z H5BA H5BA H 0 0 N N N 4.723 9.375 -13.935 -7.112 -0.818 1.739 H5BA J7Z 100 J7Z H5D H5D H 0 1 N N N 4.979 18.052 -17.730 1.982 3.941 2.889 H5D J7Z 101 J7Z H5E H5E H 0 1 N N N 4.413 21.535 -16.533 2.091 3.737 -1.484 H5E J7Z 102 J7Z HO5E HO5E H 0 0 N N N 1.395 23.183 -15.388 4.178 1.636 -3.420 HO5E J7Z 103 J7Z H6A H6A H 0 1 N N N 0.908 8.205 -7.219 4.988 -5.967 -1.714 H6A J7Z 104 J7Z H6B H6B H 0 1 N N N 2.993 7.508 -12.172 -8.984 -0.656 3.592 H6B J7Z 105 J7Z H6D H6D H 0 1 N N N 2.775 19.522 -19.243 4.227 4.359 1.841 H6D J7Z 106 J7Z H6DA H6DA H 0 0 N N N 2.942 19.606 -17.470 3.809 3.193 0.562 H6DA J7Z 107 J7Z H6E H6E H 0 1 N N N 3.669 23.024 -14.921 2.339 3.083 -3.898 H6E J7Z 108 J7Z H6EA H6EA H 0 0 N N N 3.294 24.308 -16.126 3.893 3.950 -3.938 H6EA J7Z 109 J7Z H7A H7A H 0 1 N N N 1.384 6.431 -8.962 5.885 -3.916 -0.318 H7A J7Z 110 J7Z H7AA H7AA H 0 0 N N N 2.239 7.641 -9.968 4.563 -4.235 0.830 H7AA J7Z 111 J7Z H7B H7B H 0 1 N N N 4.487 7.929 -10.492 -10.994 -1.572 2.671 H7B J7Z 112 J7Z H8A H8A H 0 1 N N N 4.157 7.655 -8.422 5.672 -6.593 1.243 H8A J7Z 113 J7Z H8B H8B H 0 1 N N N 6.223 9.549 -12.406 -11.022 -1.006 0.094 H8B J7Z 114 J7Z H8BA H8BA H 0 0 N N N 6.484 9.269 -10.651 -9.285 -1.398 0.083 H8BA J7Z 115 J7Z H9A H9A H 0 1 N N N 4.514 5.947 -6.919 8.041 -6.270 1.344 H9A J7Z 116 J7Z H9B H9B H 0 1 N N N 7.121 7.271 -12.930 -9.884 -3.838 0.684 H9B J7Z 117 J7Z HAA HAA H 0 1 N N N 2.524 4.884 -5.798 8.650 -4.311 -0.315 HAA J7Z 118 J7Z HAAA HAAA H 0 0 N N N 1.554 5.124 -7.288 7.194 -3.477 0.279 HAAA J7Z 119 J7Z HAB HAB H 0 1 N N N 8.701 6.357 -11.557 -11.873 -4.452 -0.496 HAB J7Z 120 J7Z HBA HBA H 0 1 N N N 2.943 3.412 -8.496 8.335 -3.499 2.667 HBA J7Z 121 J7Z HBB HBB H 0 1 N N N 9.015 8.300 -9.563 -13.688 -2.670 -0.045 HBB J7Z 122 J7Z HBBA HBBA H 0 0 N N N 7.408 7.658 -9.130 -12.424 -1.418 -0.115 HBBA J7Z 123 J7Z HCA HCA H 0 1 N N N 3.907 1.660 -7.306 10.641 -2.940 2.351 HCA J7Z 124 J7Z HCB HCB H 0 1 N N N 9.984 5.951 -9.426 -12.099 -2.078 -2.648 HCB J7Z 125 J7Z HDA HDA H 0 1 N N N 3.853 3.564 -4.873 11.373 -3.942 0.013 HDA J7Z 126 J7Z HDAA HDAA H 0 0 N N N 2.860 2.084 -4.761 9.811 -3.362 -0.612 HDAA J7Z 127 J7Z HDB HDB H 0 1 N N N 8.995 4.539 -7.828 -14.271 -2.426 -3.589 HDB J7Z 128 J7Z HEA HEA H 0 1 N N N 5.900 2.000 -5.430 10.625 -0.928 0.034 HEA J7Z 129 J7Z HEB HEB H 0 1 N N N 6.958 6.639 -7.251 -15.784 -3.466 -1.682 HEB J7Z 130 J7Z HEBA HEBA H 0 0 N N N 6.303 5.357 -8.340 -15.041 -2.279 -0.584 HEBA J7Z 131 J7Z HFA HFA H 0 1 N N N 5.975 0.210 -3.936 12.922 -0.756 -0.619 HFA J7Z 132 J7Z HFB HFB H 0 1 N N N 6.079 3.913 -6.468 -16.076 -0.409 -2.144 HFB J7Z 133 J7Z HGA HGA H 0 1 N N N 3.048 0.915 -3.287 14.007 -3.147 -0.288 HGA J7Z 134 J7Z HGAA HGAA H 0 0 N N N 3.469 -0.751 -3.808 12.516 -3.812 -0.995 HGAA J7Z 135 J7Z HGB HGB H 0 1 N N N 7.136 4.139 -4.422 -18.300 -1.101 -2.695 HGB J7Z 136 J7Z HHA HHA H 0 1 N N N 4.641 0.634 -1.287 13.114 -2.438 -3.177 HHA J7Z 137 J7Z HHB HHB H 0 1 N N N 8.876 6.282 -5.808 -18.278 -3.743 -2.849 HHB J7Z 138 J7Z HHBA HHBA H 0 0 N N N 8.257 6.448 -4.118 -17.263 -3.721 -1.387 HHBA J7Z 139 J7Z HIA HIA H 0 1 N N N 4.523 -1.518 -0.329 15.463 -2.706 -3.551 HIA J7Z 140 J7Z HIB HIB H 0 1 N N N 10.614 5.753 -4.152 -19.087 -2.598 -0.137 HIB J7Z 141 J7Z HIBA HIBA H 0 0 N N N 9.563 4.476 -3.452 -20.102 -2.621 -1.599 HIBA J7Z 142 J7Z HIBB HIBB H 0 0 N N N 10.179 4.312 -5.131 -19.637 -4.150 -0.815 HIBB J7Z 143 J7Z HJA HJA H 0 1 N N N 3.136 -2.329 -2.941 16.634 -2.844 -1.191 HJA J7Z 144 J7Z HJAA HJAA H 0 0 N N N 4.715 -3.104 -2.565 15.273 -3.869 -0.677 HJAA J7Z 145 J7Z HKA HKA H 0 1 N N N 2.825 -4.495 -1.795 15.875 -5.538 -2.409 HKA J7Z 146 J7Z HKAA HKAA H 0 0 N N N 3.808 -3.905 -0.412 17.236 -4.514 -2.924 HKAA J7Z 147 J7Z HKAB HKAB H 0 0 N N N 2.231 -3.131 -0.787 17.238 -5.247 -1.302 HKAB J7Z 148 # 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 J7Z C1A O1A DOUB N N 1 J7Z C1A O1G SING N N 2 J7Z C1A C2A SING N N 3 J7Z C1B O1B DOUB N N 4 J7Z C1B C2B SING N N 5 J7Z C1B O2G SING N N 6 J7Z C1D C2D SING N N 7 J7Z C1D O3G SING N N 8 J7Z C1D O6D SING N N 9 J7Z C1E C2E SING N N 10 J7Z C1E O5D SING N N 11 J7Z C1E O6E SING N N 12 J7Z C1G O1G SING N N 13 J7Z C1G C2G SING N N 14 J7Z C2A C3A SING N N 15 J7Z C2B C3B SING N N 16 J7Z C2D O2D SING N N 17 J7Z C2D C3D SING N N 18 J7Z C2E O2E SING N N 19 J7Z C2E C3E SING N N 20 J7Z C2G O2G SING N N 21 J7Z C2G C3G SING N N 22 J7Z C3A C4A SING N N 23 J7Z C3B C4B DOUB N N 24 J7Z C3D O3D SING N N 25 J7Z C3D C4D SING N N 26 J7Z C3E O3E SING N N 27 J7Z C3E C4E SING N N 28 J7Z C3G O3G SING N N 29 J7Z C4A C5A SING N N 30 J7Z C4B C5B SING N N 31 J7Z C4D O4D SING N N 32 J7Z C4D C5D SING N N 33 J7Z C4E O4E SING N N 34 J7Z C4E C5E SING N N 35 J7Z C5A C6A DOUB N N 36 J7Z C5B C6B SING N N 37 J7Z C5D C6D SING N N 38 J7Z C5D O6D SING N Z 39 J7Z O5D C6D SING N N 40 J7Z C5E C6E SING N N 41 J7Z C5E O6E SING N N 42 J7Z O5E C6E SING N N 43 J7Z C6A C7A SING N N 44 J7Z C6B C7B DOUB N N 45 J7Z C7A C8A SING N N 46 J7Z C7B C8B SING N N 47 J7Z C8A C9A DOUB N N 48 J7Z C8B C9B SING N N 49 J7Z C9A CAA SING N N 50 J7Z C9B CAB DOUB N N 51 J7Z CAA CBA SING N N 52 J7Z CAB CBB SING N N 53 J7Z CBA CCA DOUB N N 54 J7Z CBB CCB SING N N 55 J7Z CCA CDA SING N N 56 J7Z CCB CDB DOUB N N 57 J7Z CDA CEA SING N N 58 J7Z CDB CEB SING N N 59 J7Z CEA CFA DOUB N N 60 J7Z CEB CFB SING N N 61 J7Z CFA CGA SING N N 62 J7Z CFB CGB DOUB N N 63 J7Z CGA CHA SING N N 64 J7Z CGB CHB SING N Z 65 J7Z CHA CIA DOUB N N 66 J7Z CHB CIB SING N N 67 J7Z CIA CJA SING N N 68 J7Z CJA CKA SING N N 69 J7Z C1D H1D SING N N 70 J7Z C1E H1E SING N N 71 J7Z C1G H1G SING N N 72 J7Z C1G H1GA SING N N 73 J7Z C2A H2A SING N N 74 J7Z C2A H2AA SING N N 75 J7Z C2B H2B SING N N 76 J7Z C2B H2BA SING N N 77 J7Z C2D H2D SING N N 78 J7Z O2D HO2D SING N N 79 J7Z C2E H2E SING N N 80 J7Z O2E HO2E SING N Z 81 J7Z C2G H2G SING N N 82 J7Z C3A H3A SING N N 83 J7Z C3A H3AA SING N N 84 J7Z C3B H3B SING N N 85 J7Z C3D H3D SING N N 86 J7Z O3D HO3D SING N N 87 J7Z C3E H3E SING N N 88 J7Z O3E HO3E SING N N 89 J7Z C3G H3G SING N N 90 J7Z C3G H3GA SING N N 91 J7Z C4A H4A SING N Z 92 J7Z C4A H4AA SING N N 93 J7Z C4B H4B SING N N 94 J7Z C4D H4D SING N N 95 J7Z O4D HO4D SING N N 96 J7Z C4E H4E SING N N 97 J7Z O4E HO4E SING N N 98 J7Z C5A H5A SING N Z 99 J7Z C5B H5B SING N N 100 J7Z C5B H5BA SING N N 101 J7Z C5D H5D SING N N 102 J7Z C5E H5E SING N N 103 J7Z O5E HO5E SING N N 104 J7Z C6A H6A SING N N 105 J7Z C6B H6B SING N Z 106 J7Z C6D H6D SING N N 107 J7Z C6D H6DA SING N N 108 J7Z C6E H6E SING N N 109 J7Z C6E H6EA SING N N 110 J7Z C7A H7A SING N N 111 J7Z C7A H7AA SING N N 112 J7Z C7B H7B SING N Z 113 J7Z C8A H8A SING N N 114 J7Z C8B H8B SING N N 115 J7Z C8B H8BA SING N N 116 J7Z C9A H9A SING N N 117 J7Z C9B H9B SING N N 118 J7Z CAA HAA SING N N 119 J7Z CAA HAAA SING N Z 120 J7Z CAB HAB SING N N 121 J7Z CBA HBA SING N N 122 J7Z CBB HBB SING N N 123 J7Z CBB HBBA SING N N 124 J7Z CCA HCA SING N N 125 J7Z CCB HCB SING N N 126 J7Z CDA HDA SING N Z 127 J7Z CDA HDAA SING N N 128 J7Z CDB HDB SING N N 129 J7Z CEA HEA SING N N 130 J7Z CEB HEB SING N N 131 J7Z CEB HEBA SING N N 132 J7Z CFA HFA SING N N 133 J7Z CFB HFB SING N Z 134 J7Z CGA HGA SING N N 135 J7Z CGA HGAA SING N N 136 J7Z CGB HGB SING N N 137 J7Z CHA HHA SING N N 138 J7Z CHB HHB SING N N 139 J7Z CHB HHBA SING N N 140 J7Z CIA HIA SING N N 141 J7Z CIB HIB SING N N 142 J7Z CIB HIBA SING N N 143 J7Z CIB HIBB SING N N 144 J7Z CJA HJA SING N N 145 J7Z CJA HJAA SING N N 146 J7Z CKA HKA SING N N 147 J7Z CKA HKAA SING N N 148 J7Z CKA HKAB SING N N 149 # 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 J7Z SMILES ACDLabs 11.02 "O=C(OCC(OC(=O)C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC1OC(C(O)C(O)C1O)COC2OC(CO)C(O)C(O)C2O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC" J7Z SMILES_CANONICAL CACTVS 3.352 "CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)C\C=C/C/C=C\C\C=C/C/C=C\C\C=C/CC" J7Z SMILES CACTVS 3.352 "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OC[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)OC(=O)CC=CCC=CCC=CCC=CCC=CCC" J7Z SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)O)OC(=O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC" J7Z SMILES "OpenEye OEToolkits" 1.7.0 "CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)OC(=O)CC=CCC=CCC=CCC=CCC=CCC" J7Z InChI InChI 1.03 ;InChI=1S/C53H80O15/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-44(55)63-38-41(66-45(56)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h5-8,11-14,17-19,21-23,26-29,32,34,41-43,46-54,57-62H,3-4,9-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-,34-32-/t41-,42-,43-,46+,47+,48+,49+,50-,51-,52-,53+/m1/s1 ; J7Z InChIKey InChI 1.03 GBUVPODJTFTLEC-ZHVHOYJFSA-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 J7Z "SYSTEMATIC NAME" ACDLabs 11.02 "(2S)-3-{[6-O-(alpha-D-galactopyranosyl)-beta-D-galactopyranosyl]oxy}-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate" J7Z "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.6.1 "[(2S)-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-propyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site J7Z "Create component" 2009-08-06 RCSB J7Z "Modify descriptor" 2011-06-04 RCSB #