data_ONX
# 
_chem_comp.id                                    ONX 
_chem_comp.name                                  "N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C40 H79 N O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2015-09-30 
_chem_comp.pdbx_modified_date                    2016-03-18 
_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                        606.061 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ? 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        5DVG 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
# 
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 
ONX CBD C1  C 0 1 N N N -3.597 -31.982 -33.921 -12.354 0.845  -0.071 CBD ONX 1   
ONX CAQ C2  C 0 1 N N N -4.811 -30.521 -29.896 8.170   -1.115 -0.196 CAQ ONX 2   
ONX CBC C3  C 0 1 N N N -3.574 -30.584 -34.521 -10.904 0.562  -0.468 CBC ONX 3   
ONX CAP C4  C 0 1 N N N -5.106 -29.046 -30.136 6.727   -0.931 0.279  CAP ONX 4   
ONX CBB C5  C 0 1 N N N -3.035 -29.554 -33.539 -10.582 -0.911 -0.210 CBB ONX 5   
ONX CAO C6  C 0 1 N N N -4.584 -28.206 -28.986 5.885   -2.126 -0.173 CAO ONX 6   
ONX CBA C7  C 0 1 N N N -2.571 -28.288 -34.253 -9.132  -1.194 -0.607 CBA ONX 7   
ONX CAN C8  C 0 1 N N N -3.741 -27.033 -29.450 4.442   -1.942 0.302  CAN ONX 8   
ONX CAZ C9  C 0 1 N N N -1.770 -27.402 -33.307 -8.811  -2.667 -0.349 CAZ ONX 9   
ONX CAM C10 C 0 1 N N N -2.581 -26.880 -28.494 3.600   -3.137 -0.150 CAM ONX 10  
ONX CAY C11 C 0 1 N N N -0.265 -27.639 -33.298 -7.360  -2.950 -0.746 CAY ONX 11  
ONX CAL C12 C 0 1 N N N -1.647 -25.781 -28.950 2.157   -2.953 0.325  CAL ONX 12  
ONX CAH C13 C 0 1 N N N 0.431  -26.405 -32.718 -7.039  -4.423 -0.488 CAH ONX 13  
ONX CAF C14 C 0 1 N N N 2.130  -25.486 -31.096 -4.785  -5.233 -0.011 CAF ONX 14  
ONX OAJ O1  O 0 1 N N N 0.588  -25.004 -26.369 -0.415  -2.979 0.973  OAJ ONX 15  
ONX CAB C15 C 0 1 N N R 2.344  -25.283 -28.503 -2.415  -4.725 0.511  CAB ONX 16  
ONX CAA C16 C 0 1 N N N 3.039  -23.991 -28.284 -2.549  -5.240 1.946  CAA ONX 17  
ONX CAE C17 C 0 1 N N N 0.160  -24.963 -27.515 -0.106  -3.966 0.341  CAE ONX 18  
ONX CAG C18 C 0 1 N N N 1.876  -26.559 -32.185 -5.610  -4.702 -0.879 CAG ONX 19  
ONX CBE C19 C 0 1 N N N -4.796 -32.795 -34.413 -12.676 2.319  -0.330 CBE ONX 20  
ONX CAK C20 C 0 1 N N N -1.302 -24.818 -27.819 1.315   -4.147 -0.127 CAK ONX 21  
ONX CAR C21 C 0 1 N N N -5.926 -31.247 -29.146 9.012   0.080  0.256  CAR ONX 22  
ONX NAC N1  N 0 1 N N N 0.922  -25.066 -28.588 -1.033  -4.902 0.056  NAC ONX 23  
ONX CAD C22 C 0 1 N N S 2.664  -26.037 -29.802 -3.357  -5.512 -0.403 CAD ONX 24  
ONX OAI O2  O 0 1 N N N 2.139  -27.370 -29.689 -3.091  -6.910 -0.272 OAI ONX 25  
ONX H1  H1  H 0 1 N N N -2.672 -32.506 -34.204 -13.022 0.218  -0.662 H1  ONX 26  
ONX H2  H2  H 0 1 N N N -3.650 -31.898 -32.826 -12.490 0.624  0.988  H2  ONX 27  
ONX H3  H3  H 0 1 N N N -4.669 -31.011 -30.870 8.579   -2.030 0.231  H3  ONX 28  
ONX H4  H4  H 0 1 N N N -3.885 -30.600 -29.307 8.188   -1.182 -1.284 H4  ONX 29  
ONX H5  H5  H 0 1 N N N -2.934 -30.591 -35.416 -10.768 0.784  -1.527 H5  ONX 30  
ONX H6  H6  H 0 1 N N N -4.599 -30.302 -34.805 -10.236 1.189  0.123  H6  ONX 31  
ONX H7  H7  H 0 1 N N N -4.618 -28.726 -31.069 6.708   -0.864 1.367  H7  ONX 32  
ONX H8  H8  H 0 1 N N N -6.193 -28.904 -30.224 6.318   -0.016 -0.148 H8  ONX 33  
ONX H9  H9  H 0 1 N N N -3.830 -29.291 -32.825 -10.719 -1.132 0.849  H9  ONX 34  
ONX H10 H10 H 0 1 N N N -2.184 -29.990 -32.995 -11.250 -1.538 -0.801 H10 ONX 35  
ONX H11 H11 H 0 1 N N N -5.441 -27.819 -28.416 5.903   -2.193 -1.261 H11 ONX 36  
ONX H12 H12 H 0 1 N N N -3.969 -28.845 -28.335 6.294   -3.041 0.254  H12 ONX 37  
ONX H13 H13 H 0 1 N N N -1.939 -28.567 -35.109 -8.996  -0.973 -1.666 H13 ONX 38  
ONX H14 H14 H 0 1 N N N -3.450 -27.732 -34.611 -8.465  -0.567 -0.016 H14 ONX 39  
ONX H15 H15 H 0 1 N N N -3.364 -27.224 -30.466 4.423   -1.875 1.390  H15 ONX 40  
ONX H16 H16 H 0 1 N N N -4.347 -26.115 -29.450 4.033   -1.026 -0.125 H16 ONX 41  
ONX H17 H17 H 0 1 N N N -1.946 -26.355 -33.594 -8.947  -2.888 0.710  H17 ONX 42  
ONX H18 H18 H 0 1 N N N -2.145 -27.570 -32.287 -9.478  -3.294 -0.940 H18 ONX 43  
ONX H19 H19 H 0 1 N N N -2.968 -26.632 -27.495 3.619   -3.203 -1.238 H19 ONX 44  
ONX H20 H20 H 0 1 N N N -2.026 -27.828 -28.447 4.009   -4.052 0.277  H20 ONX 45  
ONX H21 H21 H 0 1 N N N -0.034 -28.518 -32.678 -7.224  -2.729 -1.805 H21 ONX 46  
ONX H22 H22 H 0 1 N N N 0.087  -27.812 -34.326 -6.693  -2.323 -0.155 H22 ONX 47  
ONX H23 H23 H 0 1 N N N -0.718 -26.237 -29.324 2.139   -2.886 1.413  H23 ONX 48  
ONX H24 H24 H 0 1 N N N -2.131 -25.217 -29.761 1.748   -2.037 -0.102 H24 ONX 49  
ONX H25 H25 H 0 1 N N N 0.456  -25.643 -33.511 -7.175  -4.644 0.571  H25 ONX 50  
ONX H26 H26 H 0 1 N N N -0.187 -26.045 -31.883 -7.706  -5.050 -1.079 H26 ONX 51  
ONX H27 H27 H 0 1 N N N 1.940  -24.434 -31.252 -5.128  -5.472 0.984  H27 ONX 52  
ONX H29 H29 H 0 1 N N N 2.562  -25.951 -27.657 -2.676  -3.668 0.478  H29 ONX 53  
ONX H30 H30 H 0 1 N N N 2.720  -23.561 -27.323 -2.288  -6.297 1.978  H30 ONX 54  
ONX H31 H31 H 0 1 N N N 4.126  -24.158 -28.268 -1.878  -4.679 2.597  H31 ONX 55  
ONX H32 H32 H 0 1 N N N 2.786  -23.296 -29.098 -3.577  -5.109 2.284  H32 ONX 56  
ONX H33 H33 H 0 1 N N N 2.592  -27.296 -32.518 -5.267  -4.463 -1.875 H33 ONX 57  
ONX H35 H35 H 0 1 N N N -5.300 -32.570 -35.364 -12.008 2.945  0.261  H35 ONX 58  
ONX H36 H36 H 0 1 N N N -4.906 -33.865 -34.185 -12.539 2.540  -1.388 H36 ONX 59  
ONX H38 H38 H 0 1 N N N -1.518 -23.785 -28.130 1.334   -4.214 -1.215 H38 ONX 60  
ONX H39 H39 H 0 1 N N N -1.895 -25.064 -26.926 1.724   -5.063 0.300  H39 ONX 61  
ONX H40 H40 H 0 1 N N N -6.907 -31.251 -29.644 8.602   0.995  -0.171 H40 ONX 62  
ONX H41 H41 H 0 1 N N N -5.683 -32.265 -28.806 8.993   0.147  1.344  H41 ONX 63  
ONX H43 H43 H 0 1 N N N 0.498  -24.991 -29.491 -0.786  -5.691 -0.450 H43 ONX 64  
ONX H44 H44 H 0 1 N N N 3.759  -26.096 -29.888 -3.198  -5.207 -1.437 H44 ONX 65  
ONX H45 H45 H 0 1 N N N 2.449  -27.765 -28.883 -3.213  -7.251 0.625  H45 ONX 66  
ONX C1  C23 C 0 1 N N N ?      ?       ?       -14.126 2.601  0.068  C1  ONX 67  
ONX C2  C24 C 0 1 N N N ?      ?       ?       -14.447 4.075  -0.191 C2  ONX 68  
ONX C3  C25 C 0 1 N N N ?      ?       ?       -15.898 4.358  0.207  C3  ONX 69  
ONX C4  C26 C 0 1 N N N ?      ?       ?       -16.219 5.831  -0.052 C4  ONX 70  
ONX C5  C27 C 0 1 N N N ?      ?       ?       -17.669 6.114  0.345  C5  ONX 71  
ONX C6  C28 C 0 1 N N N ?      ?       ?       10.454  -0.104 -0.219 C6  ONX 72  
ONX C7  C29 C 0 1 N N N ?      ?       ?       11.296  1.090  0.233  C7  ONX 73  
ONX C8  C30 C 0 1 N N N ?      ?       ?       12.739  0.906  -0.242 C8  ONX 74  
ONX C9  C31 C 0 1 N N N ?      ?       ?       13.581  2.101  0.210  C9  ONX 75  
ONX C10 C32 C 0 1 N N N ?      ?       ?       15.024  1.917  -0.265 C10 ONX 76  
ONX C11 C33 C 0 1 N N N ?      ?       ?       15.866  3.112  0.187  C11 ONX 77  
ONX C12 C34 C 0 1 N N N ?      ?       ?       17.309  2.928  -0.288 C12 ONX 78  
ONX C13 C35 C 0 1 N N N ?      ?       ?       18.151  4.123  0.164  C13 ONX 79  
ONX C14 C36 C 0 1 N N N ?      ?       ?       19.593  3.939  -0.310 C14 ONX 80  
ONX C15 C37 C 0 1 N N N ?      ?       ?       20.435  5.134  0.142  C15 ONX 81  
ONX C16 C38 C 0 1 N N N ?      ?       ?       21.878  4.950  -0.333 C16 ONX 82  
ONX H37 H37 H 0 1 N N N ?      ?       ?       -14.793 1.975  -0.523 H37 ONX 83  
ONX H42 H42 H 0 1 N N N ?      ?       ?       -14.262 2.380  1.126  H42 ONX 84  
ONX H46 H46 H 0 1 N N N ?      ?       ?       -13.780 4.702  0.400  H46 ONX 85  
ONX H47 H47 H 0 1 N N N ?      ?       ?       -14.311 4.296  -1.249 H47 ONX 86  
ONX H48 H48 H 0 1 N N N ?      ?       ?       -16.565 3.731  -0.384 H48 ONX 87  
ONX H49 H49 H 0 1 N N N ?      ?       ?       -16.034 4.136  1.265  H49 ONX 88  
ONX H50 H50 H 0 1 N N N ?      ?       ?       -15.552 6.458  0.539  H50 ONX 89  
ONX H51 H51 H 0 1 N N N ?      ?       ?       -16.083 6.052  -1.111 H51 ONX 90  
ONX H52 H52 H 0 1 N N N ?      ?       ?       -18.337 5.487  -0.246 H52 ONX 91  
ONX H53 H53 H 0 1 N N N ?      ?       ?       -17.806 5.892  1.404  H53 ONX 92  
ONX H55 H55 H 0 1 N N N ?      ?       ?       10.864  -1.020 0.208  H55 ONX 93  
ONX H56 H56 H 0 1 N N N ?      ?       ?       10.473  -0.171 -1.307 H56 ONX 94  
ONX H57 H57 H 0 1 N N N ?      ?       ?       10.887  2.006  -0.194 H57 ONX 95  
ONX H58 H58 H 0 1 N N N ?      ?       ?       11.278  1.157  1.321  H58 ONX 96  
ONX H59 H59 H 0 1 N N N ?      ?       ?       13.148  -0.009 0.186  H59 ONX 97  
ONX H60 H60 H 0 1 N N N ?      ?       ?       12.758  0.840  -1.329 H60 ONX 98  
ONX H61 H61 H 0 1 N N N ?      ?       ?       13.172  3.017  -0.217 H61 ONX 99  
ONX H62 H62 H 0 1 N N N ?      ?       ?       13.562  2.168  1.298  H62 ONX 100 
ONX H63 H63 H 0 1 N N N ?      ?       ?       15.433  1.002  0.163  H63 ONX 101 
ONX H64 H64 H 0 1 N N N ?      ?       ?       15.042  1.850  -1.352 H64 ONX 102 
ONX H65 H65 H 0 1 N N N ?      ?       ?       15.457  4.028  -0.240 H65 ONX 103 
ONX H66 H66 H 0 1 N N N ?      ?       ?       15.847  3.179  1.275  H66 ONX 104 
ONX H67 H67 H 0 1 N N N ?      ?       ?       17.718  2.013  0.140  H67 ONX 105 
ONX H68 H68 H 0 1 N N N ?      ?       ?       17.327  2.861  -1.375 H68 ONX 106 
ONX H69 H69 H 0 1 N N N ?      ?       ?       17.742  5.038  -0.263 H69 ONX 107 
ONX H70 H70 H 0 1 N N N ?      ?       ?       18.132  4.190  1.252  H70 ONX 108 
ONX H71 H71 H 0 1 N N N ?      ?       ?       20.003  3.023  0.117  H71 ONX 109 
ONX H72 H72 H 0 1 N N N ?      ?       ?       19.612  3.872  -1.398 H72 ONX 110 
ONX H73 H73 H 0 1 N N N ?      ?       ?       20.026  6.049  -0.286 H73 ONX 111 
ONX H74 H74 H 0 1 N N N ?      ?       ?       20.417  5.201  1.229  H74 ONX 112 
ONX H75 H75 H 0 1 N N N ?      ?       ?       22.478  5.801  -0.011 H75 ONX 113 
ONX H76 H76 H 0 1 N N N ?      ?       ?       22.288  4.034  0.094  H76 ONX 114 
ONX H77 H77 H 0 1 N N N ?      ?       ?       21.897  4.883  -1.421 H77 ONX 115 
ONX C17 C39 C 0 1 N N N ?      ?       ?       -17.991 7.587  0.087  C17 ONX 116 
ONX C18 C40 C 0 1 N N N ?      ?       ?       -19.441 7.870  0.484  C18 ONX 117 
ONX H28 H28 H 0 1 N N N ?      ?       ?       -17.323 8.214  0.678  H28 ONX 118 
ONX H34 H34 H 0 1 N N N ?      ?       ?       -17.854 7.808  -0.972 H34 ONX 119 
ONX H54 H54 H 0 1 N N N ?      ?       ?       -20.109 7.243  -0.107 H54 ONX 120 
ONX H78 H78 H 0 1 N N N ?      ?       ?       -19.577 7.649  1.543  H78 ONX 121 
ONX H79 H79 H 0 1 N N N ?      ?       ?       -19.670 8.920  0.300  H79 ONX 122 
# 
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 
ONX CBC CBD SING N N 1   
ONX CBC CBB SING N N 2   
ONX CBE CBD SING N N 3   
ONX CBA CBB SING N N 4   
ONX CBA CAZ SING N N 5   
ONX CAZ CAY SING N N 6   
ONX CAY CAH SING N N 7   
ONX CAH CAG SING N N 8   
ONX CAG CAF DOUB N E 9   
ONX CAF CAD SING N N 10  
ONX CAP CAQ SING N N 11  
ONX CAP CAO SING N N 12  
ONX CAQ CAR SING N N 13  
ONX CAD OAI SING N N 14  
ONX CAD CAB SING N N 15  
ONX CAN CAO SING N N 16  
ONX CAN CAM SING N N 17  
ONX CAL CAM SING N N 18  
ONX CAL CAK SING N N 19  
ONX NAC CAB SING N N 20  
ONX NAC CAE SING N N 21  
ONX CAB CAA SING N N 22  
ONX CAK CAE SING N N 23  
ONX CAE OAJ DOUB N N 24  
ONX CBD H1  SING N N 25  
ONX CBD H2  SING N N 26  
ONX CAQ H3  SING N N 27  
ONX CAQ H4  SING N N 28  
ONX CBC H5  SING N N 29  
ONX CBC H6  SING N N 30  
ONX CAP H7  SING N N 31  
ONX CAP H8  SING N N 32  
ONX CBB H9  SING N N 33  
ONX CBB H10 SING N N 34  
ONX CAO H11 SING N N 35  
ONX CAO H12 SING N N 36  
ONX CBA H13 SING N N 37  
ONX CBA H14 SING N N 38  
ONX CAN H15 SING N N 39  
ONX CAN H16 SING N N 40  
ONX CAZ H17 SING N N 41  
ONX CAZ H18 SING N N 42  
ONX CAM H19 SING N N 43  
ONX CAM H20 SING N N 44  
ONX CAY H21 SING N N 45  
ONX CAY H22 SING N N 46  
ONX CAL H23 SING N N 47  
ONX CAL H24 SING N N 48  
ONX CAH H25 SING N N 49  
ONX CAH H26 SING N N 50  
ONX CAF H27 SING N N 51  
ONX CAB H29 SING N N 52  
ONX CAA H30 SING N N 53  
ONX CAA H31 SING N N 54  
ONX CAA H32 SING N N 55  
ONX CAG H33 SING N N 56  
ONX CBE H35 SING N N 57  
ONX CBE H36 SING N N 58  
ONX CAK H38 SING N N 59  
ONX CAK H39 SING N N 60  
ONX CAR H40 SING N N 61  
ONX CAR H41 SING N N 62  
ONX NAC H43 SING N N 63  
ONX CAD H44 SING N N 64  
ONX OAI H45 SING N N 65  
ONX CBE C1  SING N N 66  
ONX C1  C2  SING N N 67  
ONX C2  C3  SING N N 68  
ONX C3  C4  SING N N 69  
ONX C4  C5  SING N N 70  
ONX CAR C6  SING N N 71  
ONX C6  C7  SING N N 72  
ONX C7  C8  SING N N 73  
ONX C8  C9  SING N N 74  
ONX C9  C10 SING N N 75  
ONX C10 C11 SING N N 76  
ONX C11 C12 SING N N 77  
ONX C12 C13 SING N N 78  
ONX C13 C14 SING N N 79  
ONX C14 C15 SING N N 80  
ONX C15 C16 SING N N 81  
ONX C1  H37 SING N N 82  
ONX C1  H42 SING N N 83  
ONX C2  H46 SING N N 84  
ONX C2  H47 SING N N 85  
ONX C3  H48 SING N N 86  
ONX C3  H49 SING N N 87  
ONX C4  H50 SING N N 88  
ONX C4  H51 SING N N 89  
ONX C5  H52 SING N N 90  
ONX C5  H53 SING N N 91  
ONX C6  H55 SING N N 92  
ONX C6  H56 SING N N 93  
ONX C7  H57 SING N N 94  
ONX C7  H58 SING N N 95  
ONX C8  H59 SING N N 96  
ONX C8  H60 SING N N 97  
ONX C9  H61 SING N N 98  
ONX C9  H62 SING N N 99  
ONX C10 H63 SING N N 100 
ONX C10 H64 SING N N 101 
ONX C11 H65 SING N N 102 
ONX C11 H66 SING N N 103 
ONX C12 H67 SING N N 104 
ONX C12 H68 SING N N 105 
ONX C13 H69 SING N N 106 
ONX C13 H70 SING N N 107 
ONX C14 H71 SING N N 108 
ONX C14 H72 SING N N 109 
ONX C15 H73 SING N N 110 
ONX C15 H74 SING N N 111 
ONX C16 H75 SING N N 112 
ONX C16 H76 SING N N 113 
ONX C16 H77 SING N N 114 
ONX C5  C17 SING N N 115 
ONX C17 C18 SING N N 116 
ONX C17 H28 SING N N 117 
ONX C17 H34 SING N N 118 
ONX C18 H54 SING N N 119 
ONX C18 H78 SING N N 120 
ONX C18 H79 SING N N 121 
# 
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 
ONX InChI            InChI                1.03  
"InChI=1S/C40H79NO2/c1-4-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-37-40(43)41-38(3)39(42)36-34-32-30-28-26-24-22-19-17-15-13-11-9-7-5-2/h34,36,38-39,42H,4-33,35,37H2,1-3H3,(H,41,43)/b36-34+/t38-,39+/m1/s1" 
ONX InChIKey         InChI                1.03  OIYVZQWNTPVTQS-XWHBQUFFSA-N 
ONX SMILES_CANONICAL CACTVS               3.385 "CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@@H](O)/C=C/CCCCCCCCCCCCCCC" 
ONX SMILES           CACTVS               3.385 "CCCCCCCCCCCCCCCCCCCC(=O)N[CH](C)[CH](O)C=CCCCCCCCCCCCCCCC" 
ONX SMILES_CANONICAL "OpenEye OEToolkits" 1.9.2 "CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](C)[C@H](C=CCCCCCCCCCCCCCCC)O" 
ONX SMILES           "OpenEye OEToolkits" 1.9.2 "CCCCCCCCCCCCCCCCCCCC(=O)NC(C)C(C=CCCCCCCCCCCCCCCC)O" 
# 
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 
ONX "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.9.2 "N-[(2R,3S)-3-oxidanylicos-4-en-2-yl]icosanamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
ONX "Create component" 2015-09-30 PDBJ 
ONX "Modify name"      2015-10-14 PDBJ 
ONX "Initial release"  2016-03-23 RCSB 
# 
