data_PSC
# 
_chem_comp.id                                    PSC 
_chem_comp.name                                  "(7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C42 H81 N O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "PHOSPHATIDYLCHOLINE, 2-LINOLEOYL-1-PALMITOYL-SN-GYCEROL-3-PHOSPHOCHOLINE" 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     2003-12-02 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        759.068 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     PSC 
_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        1V54 
_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 
PSC P    P    P 0 1 N N S 65.179 272.862 221.538 -1.162  4.861  -0.667 P    PSC 1   
PSC N    N    N 1 1 N N N 63.690 270.521 224.678 -4.961  4.373  -2.762 N    PSC 2   
PSC C01  C01  C 0 1 N N N 65.438 275.549 218.309 -0.592  2.771  3.063  C01  PSC 3   
PSC C02  C02  C 0 1 N N R 63.953 275.541 218.793 0.626   3.414  2.398  C02  PSC 4   
PSC C03  C03  C 0 1 N N N 63.648 274.469 219.863 0.160   4.413  1.337  C03  PSC 5   
PSC C04  C04  C 0 1 N N N 63.306 272.797 223.673 -2.698  5.277  -2.520 C04  PSC 6   
PSC C05  C05  C 0 1 N N N 63.515 271.951 224.956 -3.742  4.734  -3.498 C05  PSC 7   
PSC C06  C06  C 0 1 N N N 62.881 270.017 223.520 -5.511  5.569  -2.109 C06  PSC 8   
PSC C07  C07  C 0 1 N N N 63.200 269.764 225.847 -5.953  3.825  -3.696 C07  PSC 9   
PSC C08  C08  C 0 1 N N N 65.149 270.191 224.535 -4.638  3.364  -1.744 C08  PSC 10  
PSC O01  O01  O 0 1 N N N 63.000 275.514 217.693 1.435   2.384  1.770  O01  PSC 11  
PSC O02  O02  O 0 1 N N N 62.172 273.375 217.554 3.285   3.549  2.086  O02  PSC 12  
PSC O03  O03  O 0 1 N N N 66.020 276.859 218.419 -1.444  2.180  2.046  O03  PSC 13  
PSC O04  O04  O 0 1 N N N 66.860 276.846 216.252 -2.891  1.486  3.565  O04  PSC 14  
PSC O11  O11  O 0 1 N N N 64.798 274.237 220.710 -0.713  3.757  0.415  O11  PSC 15  
PSC O12  O12  O 0 1 N N N 64.558 273.177 223.045 -2.253  4.222  -1.664 O12  PSC 16  
PSC O13  O13  O 0 1 N N N 66.668 272.759 221.643 0.122   5.339  -1.512 O13  PSC 17  
PSC O14  O14  O 0 1 N N N 64.459 271.703 220.916 -1.754  6.024  0.032  O14  PSC 18  
PSC C1   C1   C 0 1 N N N 62.740 274.333 217.048 2.763   2.546  1.662  C1   PSC 19  
PSC C2   C2   C 0 1 N N N 62.967 274.531 215.504 3.602   1.477  1.010  C2   PSC 20  
PSC C3   C3   C 0 1 N N N 64.225 273.860 214.858 5.070   1.907  1.015  C3   PSC 21  
PSC C4   C4   C 0 1 N N N 65.000 274.754 213.829 5.922   0.822  0.354  C4   PSC 22  
PSC C5   C5   C 0 1 N N N 65.018 274.284 212.348 7.390   1.252  0.359  C5   PSC 23  
PSC C6   C6   C 0 1 N N N 64.675 275.353 211.273 8.242   0.167  -0.302 C6   PSC 24  
PSC C7   C7   C 0 1 N N N 63.991 274.785 209.998 9.710   0.597  -0.297 C7   PSC 25  
PSC C8   C8   C 0 1 N N N 63.524 275.808 208.928 10.562  -0.488 -0.958 C8   PSC 26  
PSC C9   C9   C 0 1 N N N 62.460 275.235 207.941 12.008  -0.064 -0.953 C9   PSC 27  
PSC C10  C10  C 0 1 N N N 62.114 275.994 206.623 12.924  -0.866 -0.469 C10  PSC 28  
PSC C11  C11  C 0 1 N N N 62.809 277.340 206.206 12.566  -2.282 -0.096 C11  PSC 29  
PSC C12  C12  C 0 1 N N N 61.971 278.205 205.224 13.504  -3.236 -0.788 C12  PSC 30  
PSC C13  C13  C 0 1 N N N 62.677 278.841 203.998 14.184  -4.110 -0.088 C13  PSC 31  
PSC C14  C14  C 0 1 N N N 61.893 278.531 202.689 15.122  -5.064 -0.781 C14  PSC 32  
PSC C15  C15  C 0 1 N N N 61.939 279.363 201.359 16.519  -4.942 -0.167 C15  PSC 33  
PSC C16  C16  C 0 1 N N N 62.776 280.664 201.096 17.471  -5.911 -0.870 C16  PSC 34  
PSC C17  C17  C 0 1 N N N 63.337 280.852 199.632 18.867  -5.789 -0.256 C17  PSC 35  
PSC C18  C18  C 0 1 N N N 62.550 281.618 198.530 19.820  -6.758 -0.959 C18  PSC 36  
PSC C19  C19  C 0 1 N N N 66.183 277.339 217.150 -2.579  1.556  2.400  C19  PSC 37  
PSC C20  C20  C 0 1 N N N 65.363 278.621 217.020 -3.463  0.944  1.345  C20  PSC 38  
PSC C21  C21  C 0 1 N N N 63.867 278.330 216.765 -4.681  0.301  2.011  C21  PSC 39  
PSC C22  C22  C 0 1 N N N 63.480 278.054 215.314 -5.578  -0.321 0.939  C22  PSC 40  
PSC C23  C23  C 0 1 N N N 64.560 278.470 214.295 -6.797  -0.964 1.605  C23  PSC 41  
PSC C24  C24  C 0 1 N N N 64.018 278.678 212.899 -7.694  -1.587 0.533  C24  PSC 42  
PSC C25  C25  C 0 1 N N N 62.569 279.117 212.924 -8.913  -2.229 1.199  C25  PSC 43  
PSC C26  C26  C 0 1 N N N 62.298 280.034 211.778 -9.810  -2.852 0.127  C26  PSC 44  
PSC C27  C27  C 0 1 N N N 61.833 279.241 210.604 -11.029 -3.495 0.793  C27  PSC 45  
PSC C28  C28  C 0 1 N N N 61.319 280.153 209.534 -11.926 -4.117 -0.279 C28  PSC 46  
PSC C29  C29  C 0 1 N N N 59.950 280.652 209.847 -13.145 -4.760 0.387  C29  PSC 47  
PSC C30  C30  C 0 1 N N N 59.046 280.611 208.646 -14.042 -5.382 -0.685 C30  PSC 48  
PSC C31  C31  C 0 1 N N N 59.452 281.620 207.598 -15.261 -6.025 -0.019 C31  PSC 49  
PSC C32  C32  C 0 1 N N N 59.999 280.906 206.395 -16.158 -6.647 -1.091 C32  PSC 50  
PSC C33  C33  C 0 1 N N N 60.406 281.860 205.277 -17.377 -7.290 -0.425 C33  PSC 51  
PSC C34  C34  C 0 1 N N N 60.261 281.309 203.843 -18.274 -7.912 -1.497 C34  PSC 52  
PSC H011 1H01 H 0 0 N N N 66.046 274.785 218.847 -1.151  3.531  3.609  H011 PSC 53  
PSC H012 2H01 H 0 0 N N N 65.532 275.146 217.273 -0.262  1.996  3.755  H012 PSC 54  
PSC H02  H02  H 0 1 N N N 63.816 276.519 219.309 1.219   3.933  3.150  H02  PSC 55  
PSC H031 1H03 H 0 0 N N N 62.743 274.730 220.460 -0.372  5.233  1.819  H031 PSC 56  
PSC H032 2H03 H 0 0 N N N 63.279 273.522 219.402 1.025   4.805  0.802  H032 PSC 57  
PSC H041 1H04 H 0 0 N N N 62.639 272.271 222.950 -3.141  6.070  -1.919 H041 PSC 58  
PSC H042 2H04 H 0 0 N N N 62.674 273.692 223.881 -1.850  5.674  -3.078 H042 PSC 59  
PSC H051 1H05 H 0 0 N N N 62.684 272.116 225.681 -3.978  5.498  -4.239 H051 PSC 60  
PSC H052 2H05 H 0 0 N N N 64.365 272.346 225.559 -3.346  3.851  -3.999 H052 PSC 61  
PSC H061 1H06 H 0 0 N N N 63.014 268.930 223.308 -5.751  6.317  -2.865 H061 PSC 62  
PSC H062 2H06 H 0 0 N N N 61.801 270.257 223.663 -6.416  5.301  -1.563 H062 PSC 63  
PSC H063 3H06 H 0 0 N N N 63.089 270.620 222.606 -4.775  5.975  -1.416 H063 PSC 64  
PSC H071 1H07 H 0 0 N N N 63.333 268.677 225.635 -5.545  2.938  -4.180 H071 PSC 65  
PSC H072 2H07 H 0 0 N N N 63.685 270.080 226.799 -6.858  3.557  -3.150 H072 PSC 66  
PSC H073 3H07 H 0 0 N N N 62.150 270.024 226.120 -6.193  4.573  -4.452 H073 PSC 67  
PSC H081 1H08 H 0 0 N N N 65.282 269.104 224.323 -4.044  3.823  -0.953 H081 PSC 68  
PSC H082 2H08 H 0 0 N N N 65.645 270.827 223.766 -5.560  2.967  -1.321 H082 PSC 69  
PSC H083 3H08 H 0 0 N N N 65.737 270.516 225.424 -4.070  2.555  -2.202 H083 PSC 70  
PSC H13  H13  H 0 1 N N N 66.887 271.967 222.119 0.476   4.553  -1.950 H13  PSC 71  
PSC H21  1H2  H 0 1 N N N 62.053 274.203 214.954 3.495   0.544  1.563  H21  PSC 72  
PSC H22  2H2  H 0 1 N N N 62.973 275.621 215.271 3.270   1.330  -0.017 H22  PSC 73  
PSC H31  1H3  H 0 1 N N N 64.918 273.498 215.652 5.177   2.840  0.462  H31  PSC 74  
PSC H32  2H3  H 0 1 N N N 63.944 272.888 214.388 5.402   2.054  2.043  H32  PSC 75  
PSC H41  1H4  H 0 1 N N N 64.612 275.798 213.881 5.815   -0.111 0.907  H41  PSC 76  
PSC H42  2H4  H 0 1 N N N 66.046 274.902 214.182 5.590   0.675  -0.674 H42  PSC 77  
PSC H51  1H5  H 0 1 N N N 66.005 273.821 212.114 7.497   2.185  -0.194 H51  PSC 78  
PSC H52  2H5  H 0 1 N N N 64.345 273.402 212.227 7.722   1.399  1.387  H52  PSC 79  
PSC H61  1H6  H 0 1 N N N 64.055 276.166 211.717 8.135   -0.766 0.251  H61  PSC 80  
PSC H62  2H6  H 0 1 N N N 65.585 275.935 210.999 7.910   0.020  -1.330 H62  PSC 81  
PSC H71  1H7  H 0 1 N N N 64.661 274.031 209.522 9.817   1.530  -0.850 H71  PSC 82  
PSC H72  2H7  H 0 1 N N N 63.131 274.140 210.294 10.042  0.744  0.731  H72  PSC 83  
PSC H81  1H8  H 0 1 N N N 63.152 276.741 209.410 10.455  -1.421 -0.405 H81  PSC 84  
PSC H82  2H8  H 0 1 N N N 64.396 276.222 208.370 10.230  -0.635 -1.986 H82  PSC 85  
PSC H9   H9   H 0 1 N N N 61.948 274.286 208.176 12.290  0.900  -1.349 H9   PSC 86  
PSC H10  H10  H 0 1 N N N 61.346 275.561 205.959 13.936  -0.512 -0.336 H10  PSC 87  
PSC H111 1H11 H 0 0 N N N 63.089 277.932 207.108 12.652  -2.406 0.983  H111 PSC 88  
PSC H112 2H11 H 0 0 N N N 63.823 277.143 205.787 11.541  -2.490 -0.405 H112 PSC 89  
PSC H12  H12  H 0 1 N N N 60.893 278.364 205.394 13.616  -3.200 -1.862 H12  PSC 90  
PSC H1   H1   H 0 1 N N N 63.607 279.431 204.049 14.072  -4.146 0.985  H1   PSC 91  
PSC H141 1H14 H 0 0 N N N 62.150 277.482 202.411 14.759  -6.084 -0.657 H141 PSC 92  
PSC H142 2H14 H 0 0 N N N 60.818 278.461 202.977 15.170  -4.821 -1.842 H142 PSC 93  
PSC H151 1H15 H 0 0 N N N 62.219 278.645 200.553 16.882  -3.922 -0.291 H151 PSC 94  
PSC H152 2H15 H 0 0 N N N 60.881 279.619 201.116 16.471  -5.185 0.895  H152 PSC 95  
PSC H161 1H16 H 0 0 N N N 62.180 281.560 201.388 17.108  -6.931 -0.746 H161 PSC 96  
PSC H162 2H16 H 0 0 N N N 63.612 280.728 201.830 17.518  -5.668 -1.932 H162 PSC 97  
PSC H171 1H17 H 0 0 N N N 64.345 281.321 199.714 19.231  -4.769 -0.380 H171 PSC 98  
PSC H172 2H17 H 0 0 N N N 63.580 279.840 199.231 18.820  -6.032 0.805  H172 PSC 99  
PSC H181 1H18 H 0 0 N N N 62.946 281.750 197.496 19.457  -7.778 -0.836 H181 PSC 100 
PSC H182 2H18 H 0 0 N N N 61.541 281.148 198.447 19.867  -6.515 -2.021 H182 PSC 101 
PSC H183 3H18 H 0 0 N N N 62.306 282.629 198.930 20.815  -6.671 -0.522 H183 PSC 102 
PSC H201 1H20 H 0 0 N N N 65.500 279.280 217.908 -2.903  0.184  0.799  H201 PSC 103 
PSC H202 2H20 H 0 0 N N N 65.783 279.292 216.235 -3.793  1.718  0.653  H202 PSC 104 
PSC H211 1H21 H 0 0 N N N 63.528 277.489 217.414 -5.240  1.061  2.556  H211 PSC 105 
PSC H212 2H21 H 0 0 N N N 63.244 279.160 217.172 -4.350  -0.474 2.702  H212 PSC 106 
PSC H221 1H22 H 0 0 N N N 63.202 276.982 215.177 -5.019  -1.081 0.393  H221 PSC 107 
PSC H222 2H22 H 0 0 N N N 62.503 278.532 215.069 -5.909  0.453  0.247  H222 PSC 108 
PSC H231 1H23 H 0 0 N N N 65.107 279.375 214.646 -7.356  -0.204 2.150  H231 PSC 109 
PSC H232 2H23 H 0 0 N N N 65.400 277.737 214.288 -6.466  -1.739 2.296  H232 PSC 110 
PSC H241 1H24 H 0 0 N N N 64.649 279.390 212.318 -7.135  -2.347 -0.013 H241 PSC 111 
PSC H242 2H24 H 0 0 N N N 64.157 277.769 212.268 -8.025  -0.812 -0.159 H242 PSC 112 
PSC H251 1H25 H 0 0 N N N 61.868 278.249 212.941 -9.472  -1.469 1.744  H251 PSC 113 
PSC H252 2H25 H 0 0 N N N 62.286 279.572 213.901 -8.582  -3.004 1.890  H252 PSC 114 
PSC H261 1H26 H 0 0 N N N 61.582 280.845 212.048 -9.251  -3.612 -0.419 H261 PSC 115 
PSC H262 2H26 H 0 0 N N N 63.178 280.672 211.532 -10.141 -2.077 -0.565 H262 PSC 116 
PSC H271 1H27 H 0 0 N N N 62.627 278.557 210.222 -11.588 -2.735 1.339  H271 PSC 117 
PSC H272 2H27 H 0 0 N N N 61.079 278.472 210.893 -10.698 -4.269 1.484  H272 PSC 118 
PSC H281 1H28 H 0 0 N N N 62.025 280.994 209.343 -11.367 -4.877 -0.825 H281 PSC 119 
PSC H282 2H28 H 0 0 N N N 61.355 279.665 208.531 -12.257 -3.342 -0.971 H282 PSC 120 
PSC H291 1H29 H 0 0 N N N 59.505 280.099 210.707 -13.704 -4.000 0.933  H291 PSC 121 
PSC H292 2H29 H 0 0 N N N 59.984 281.673 210.292 -12.814 -5.534 1.078  H292 PSC 122 
PSC H301 1H30 H 0 0 N N N 58.988 279.583 208.217 -13.483 -6.142 -1.231 H301 PSC 123 
PSC H302 2H30 H 0 0 N N N 57.977 280.739 208.938 -14.373 -4.607 -1.377 H302 PSC 124 
PSC H311 1H31 H 0 0 N N N 58.617 282.310 207.333 -15.820 -5.265 0.527  H311 PSC 125 
PSC H312 2H31 H 0 0 N N N 60.165 282.377 207.998 -14.930 -6.799 0.673  H312 PSC 126 
PSC H321 1H32 H 0 0 N N N 60.845 280.237 206.677 -15.599 -7.407 -1.637 H321 PSC 127 
PSC H322 2H32 H 0 0 N N N 59.279 280.139 206.023 -16.489 -5.872 -1.783 H322 PSC 128 
PSC H331 1H33 H 0 0 N N N 59.847 282.820 205.374 -17.936 -6.530 0.121  H331 PSC 129 
PSC H332 2H33 H 0 0 N N N 61.448 282.218 205.443 -17.046 -8.065 0.267  H332 PSC 130 
PSC H341 1H34 H 0 0 N N N 60.558 282.006 203.025 -17.715 -8.672 -2.043 H341 PSC 131 
PSC H342 2H34 H 0 0 N N N 60.819 280.348 203.746 -19.142 -8.370 -1.023 H342 PSC 132 
PSC H343 3H34 H 0 0 N N N 59.218 280.950 203.676 -18.605 -7.137 -2.189 H343 PSC 133 
# 
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 
PSC P   O11  SING N N 1   
PSC P   O12  SING N N 2   
PSC P   O13  SING N N 3   
PSC P   O14  DOUB N N 4   
PSC N   C05  SING N N 5   
PSC N   C06  SING N N 6   
PSC N   C07  SING N N 7   
PSC N   C08  SING N N 8   
PSC C01 C02  SING N N 9   
PSC C01 O03  SING N N 10  
PSC C01 H011 SING N N 11  
PSC C01 H012 SING N N 12  
PSC C02 C03  SING N N 13  
PSC C02 O01  SING N N 14  
PSC C02 H02  SING N N 15  
PSC C03 O11  SING N N 16  
PSC C03 H031 SING N N 17  
PSC C03 H032 SING N N 18  
PSC C04 C05  SING N N 19  
PSC C04 O12  SING N N 20  
PSC C04 H041 SING N N 21  
PSC C04 H042 SING N N 22  
PSC C05 H051 SING N N 23  
PSC C05 H052 SING N N 24  
PSC C06 H061 SING N N 25  
PSC C06 H062 SING N N 26  
PSC C06 H063 SING N N 27  
PSC C07 H071 SING N N 28  
PSC C07 H072 SING N N 29  
PSC C07 H073 SING N N 30  
PSC C08 H081 SING N N 31  
PSC C08 H082 SING N N 32  
PSC C08 H083 SING N N 33  
PSC O01 C1   SING N N 34  
PSC O02 C1   DOUB N N 35  
PSC O03 C19  SING N N 36  
PSC O04 C19  DOUB N N 37  
PSC O13 H13  SING N N 38  
PSC C1  C2   SING N N 39  
PSC C2  C3   SING N N 40  
PSC C2  H21  SING N N 41  
PSC C2  H22  SING N N 42  
PSC C3  C4   SING N N 43  
PSC C3  H31  SING N N 44  
PSC C3  H32  SING N N 45  
PSC C4  C5   SING N N 46  
PSC C4  H41  SING N N 47  
PSC C4  H42  SING N N 48  
PSC C5  C6   SING N N 49  
PSC C5  H51  SING N N 50  
PSC C5  H52  SING N N 51  
PSC C6  C7   SING N N 52  
PSC C6  H61  SING N N 53  
PSC C6  H62  SING N N 54  
PSC C7  C8   SING N N 55  
PSC C7  H71  SING N N 56  
PSC C7  H72  SING N N 57  
PSC C8  C9   SING N N 58  
PSC C8  H81  SING N N 59  
PSC C8  H82  SING N N 60  
PSC C9  C10  DOUB N Z 61  
PSC C9  H9   SING N N 62  
PSC C10 C11  SING N N 63  
PSC C10 H10  SING N N 64  
PSC C11 C12  SING N N 65  
PSC C11 H111 SING N N 66  
PSC C11 H112 SING N N 67  
PSC C12 C13  DOUB N E 68  
PSC C12 H12  SING N N 69  
PSC C13 C14  SING N N 70  
PSC C13 H1   SING N N 71  
PSC C14 C15  SING N N 72  
PSC C14 H141 SING N N 73  
PSC C14 H142 SING N N 74  
PSC C15 C16  SING N N 75  
PSC C15 H151 SING N N 76  
PSC C15 H152 SING N N 77  
PSC C16 C17  SING N N 78  
PSC C16 H161 SING N N 79  
PSC C16 H162 SING N N 80  
PSC C17 C18  SING N N 81  
PSC C17 H171 SING N N 82  
PSC C17 H172 SING N N 83  
PSC C18 H181 SING N N 84  
PSC C18 H182 SING N N 85  
PSC C18 H183 SING N N 86  
PSC C19 C20  SING N N 87  
PSC C20 C21  SING N N 88  
PSC C20 H201 SING N N 89  
PSC C20 H202 SING N N 90  
PSC C21 C22  SING N N 91  
PSC C21 H211 SING N N 92  
PSC C21 H212 SING N N 93  
PSC C22 C23  SING N N 94  
PSC C22 H221 SING N N 95  
PSC C22 H222 SING N N 96  
PSC C23 C24  SING N N 97  
PSC C23 H231 SING N N 98  
PSC C23 H232 SING N N 99  
PSC C24 C25  SING N N 100 
PSC C24 H241 SING N N 101 
PSC C24 H242 SING N N 102 
PSC C25 C26  SING N N 103 
PSC C25 H251 SING N N 104 
PSC C25 H252 SING N N 105 
PSC C26 C27  SING N N 106 
PSC C26 H261 SING N N 107 
PSC C26 H262 SING N N 108 
PSC C27 C28  SING N N 109 
PSC C27 H271 SING N N 110 
PSC C27 H272 SING N N 111 
PSC C28 C29  SING N N 112 
PSC C28 H281 SING N N 113 
PSC C28 H282 SING N N 114 
PSC C29 C30  SING N N 115 
PSC C29 H291 SING N N 116 
PSC C29 H292 SING N N 117 
PSC C30 C31  SING N N 118 
PSC C30 H301 SING N N 119 
PSC C30 H302 SING N N 120 
PSC C31 C32  SING N N 121 
PSC C31 H311 SING N N 122 
PSC C31 H312 SING N N 123 
PSC C32 C33  SING N N 124 
PSC C32 H321 SING N N 125 
PSC C32 H322 SING N N 126 
PSC C33 C34  SING N N 127 
PSC C33 H331 SING N N 128 
PSC C33 H332 SING N N 129 
PSC C34 H341 SING N N 130 
PSC C34 H342 SING N N 131 
PSC C34 H343 SING N N 132 
# 
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 
PSC SMILES           ACDLabs              10.04 O=C(OCC(OC(=O)CCCCCCC\C=C/C/C=C/CCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC 
PSC InChI            InChI                1.02b 
;InChI=1/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/p+1/b16-14+,21-20-/t40-/m1/s1/fC42H81NO8P/h46H/q+1
;
PSC InChIKey         InChI                1.02b JLPULHDHAOZNQI-BIOSKZRWDS 
PSC SMILES_CANONICAL CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C/CCCCC 
PSC SMILES           CACTVS               3.341 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC 
PSC SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCCC 
PSC SMILES           "OpenEye OEToolkits" 1.5.0 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC 
# 
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 
PSC "SYSTEMATIC NAME" ACDLabs              10.04 "(4S,7R,17Z,20E)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-9-oxo-3,5,8-trioxa-4-phosphahexacosa-17,20-dien-1-aminium 4-oxide" 
PSC "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 2-[[(2R)-3-hexadecanoyloxy-2-[(9Z)-octadeca-9,12-dienoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium                       
# 
