data_40P
# 
_chem_comp.id                                    40P 
_chem_comp.name                                  "Pinnatoxin A" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C41 H61 N O9" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2015-01-06 
_chem_comp.pdbx_modified_date                    2015-05-29 
_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                        711.924 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     40P 
_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        4XHE 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
40P C13 C1  C 0 1 N N N 1.744   -3.087 51.247 1.744   -3.087 51.247 C13 40P 1   
40P C18 C2  C 0 1 N N N -3.067  0.337  52.430 -3.067  0.337  52.430 C18 40P 2   
40P C15 C3  C 0 1 N N S -0.331  -1.868 51.848 -0.331  -1.868 51.848 C15 40P 3   
40P C17 C4  C 0 1 N N R -1.800  -0.087 51.708 -1.800  -0.087 51.708 C17 40P 4   
40P O1  O1  O 0 1 N N N 4.501   -3.229 51.685 4.501   -3.229 51.685 O1  40P 5   
40P O3  O2  O 0 1 N N N 4.442   -5.374 51.374 4.442   -5.374 51.374 O3  40P 6   
40P C2  C5  C 0 1 N N N 3.872   -4.274 51.419 3.872   -4.274 51.419 C2  40P 7   
40P C8  C6  C 0 1 N N N 2.427   -4.242 51.130 2.427   -4.242 51.130 C8  40P 8   
40P C9  C7  C 0 1 N N N 1.798   -5.536 50.695 1.798   -5.536 50.695 C9  40P 9   
40P C10 C8  C 0 1 N N N 0.342   -5.371 50.253 0.342   -5.371 50.253 C10 40P 10  
40P C27 C9  C 0 1 N N R -0.434  -4.348 51.069 -0.434  -4.348 51.069 C27 40P 11  
40P C28 C10 C 0 1 N N N -0.449  -4.825 52.544 -0.449  -4.825 52.544 C28 40P 12  
40P C46 C11 C 0 1 N N S -1.773  -4.590 53.298 -1.773  -4.590 53.298 C46 40P 13  
40P C22 C12 C 0 1 N N N -1.544  -4.450 54.812 -1.544  -4.450 54.812 C22 40P 14  
40P C29 C13 C 0 1 N N R -2.760  -5.713 53.058 -2.760  -5.713 53.058 C29 40P 15  
40P C6  C14 C 0 1 N N N -4.198  -5.228 53.253 -4.198  -5.228 53.253 C6  40P 16  
40P C30 C15 C 0 1 N N N -2.588  -6.375 51.697 -2.588  -6.375 51.697 C30 40P 17  
40P N31 N1  N 0 1 N N N -2.646  -5.318 50.665 -2.646  -5.318 50.665 N31 40P 18  
40P C32 C16 C 0 1 N N N -1.812  -4.407 50.378 -1.812  -4.407 50.378 C32 40P 19  
40P C33 C17 C 0 1 N N N -2.161  -3.464 49.234 -2.161  -3.464 49.234 C33 40P 20  
40P C34 C18 C 0 1 N N N -3.642  -3.412 48.869 -3.642  -3.412 48.869 C34 40P 21  
40P C35 C19 C 0 1 N N N -4.450  -2.774 49.983 -4.450  -2.774 49.983 C35 40P 22  
40P C36 C20 C 0 1 N N N -5.876  -2.413 49.602 -5.876  -2.413 49.602 C36 40P 23  
40P C38 C21 C 0 1 N N N -6.455  -2.897 48.511 -6.455  -2.897 48.511 C38 40P 24  
40P C37 C22 C 0 1 N N N -6.650  -1.488 50.517 -6.650  -1.488 50.517 C37 40P 25  
40P C48 C23 C 0 1 N N S -6.730  -1.966 51.983 -6.730  -1.966 51.983 C48 40P 26  
40P C49 C24 C 0 1 N N N -7.389  -3.326 52.154 -7.389  -3.326 52.154 C49 40P 27  
40P C50 C25 C 0 1 N N N -7.634  -3.655 53.631 -7.634  -3.655 53.631 C50 40P 28  
40P C51 C26 C 0 1 N N R -8.236  -2.466 54.384 -8.236  -2.466 54.384 C51 40P 29  
40P O52 O3  O 0 1 N N N -8.276  -2.764 55.780 -8.276  -2.764 55.780 O52 40P 30  
40P C53 C27 C 0 1 N N N -9.649  -2.163 53.860 -9.649  -2.163 53.860 C53 40P 31  
40P O47 O4  O 0 1 N N N -7.340  -0.956 52.776 -7.340  -0.956 52.776 O47 40P 32  
40P C43 C28 C 0 1 N N R -7.356  -1.267 54.179 -7.356  -1.267 54.179 C43 40P 33  
40P O44 O5  O 0 1 N N N -6.002  -1.489 54.638 -6.002  -1.489 54.638 O44 40P 34  
40P C42 C29 C 0 1 N N N -7.877  -0.009 54.884 -7.877  -0.009 54.884 C42 40P 35  
40P C55 C30 C 0 1 N N N -6.627  0.721  55.301 -6.627  0.721  55.301 C55 40P 36  
40P C23 C31 C 0 1 N N R -5.457  -0.218 55.049 -5.457  -0.218 55.049 C23 40P 37  
40P O48 O6  O 0 1 N N N -4.624  0.289  54.010 -4.624  0.289  54.010 O48 40P 38  
40P C80 C32 C 0 1 N N N -4.759  -0.387 56.366 -4.759  -0.387 56.366 C80 40P 39  
40P C60 C33 C 0 1 N N N -3.520  -1.241 56.026 -3.520  -1.241 56.026 C60 40P 40  
40P C81 C34 C 0 1 N N N -2.688  -0.675 54.848 -2.688  -0.675 54.848 C81 40P 41  
40P C21 C35 C 0 1 N N R -3.528  -0.546 53.596 -3.528  -0.546 53.596 C21 40P 42  
40P O16 O7  O 0 1 N N N -1.682  -1.503 51.507 -1.682  -1.503 51.507 O16 40P 43  
40P O65 O8  O 0 1 N N N -0.662  0.290  52.452 -0.662  0.290  52.452 O65 40P 44  
40P C61 C36 C 0 1 N N R 0.379   -0.517 51.914 0.379   -0.517 51.914 C61 40P 45  
40P C62 C37 C 0 1 N N R 0.781   0.103  50.567 0.781   0.103  50.567 C62 40P 46  
40P O66 O9  O 0 1 N N N 1.354   1.390  50.808 1.354   1.390  50.808 O66 40P 47  
40P C63 C38 C 0 1 N N R -0.426  0.263  49.627 -0.426  0.263  49.627 C63 40P 48  
40P C67 C39 C 0 1 N N N -0.173  1.260  48.492 -0.173  1.260  48.492 C67 40P 49  
40P C64 C40 C 0 1 N N N -1.676  0.665  50.382 -1.676  0.665  50.382 C64 40P 50  
40P C12 C41 C 0 1 N N S 0.258   -2.960 50.934 0.258   -2.960 50.934 C12 40P 51  
40P H1  H1  H 0 1 N N N 2.276   -2.208 51.579 2.276   -2.207 51.579 H1  40P 52  
40P H2  H2  H 0 1 N N N -2.901  1.350  52.825 -2.901  1.350  52.825 H2  40P 53  
40P H3  H3  H 0 1 N N N -3.880  0.361  51.689 -3.880  0.361  51.689 H3  40P 54  
40P H4  H4  H 0 1 N N N -0.337  -2.277 52.869 -0.337  -2.277 52.869 H4  40P 55  
40P H5  H5  H 0 1 N N N 5.416   -3.438 51.830 5.416   -3.438 51.830 H5  40P 56  
40P H6  H6  H 0 1 N N N 1.831   -6.243 51.537 1.831   -6.243 51.537 H6  40P 57  
40P H7  H7  H 0 1 N N N 2.377   -5.942 49.852 2.377   -5.942 49.852 H7  40P 58  
40P H8  H8  H 0 1 N N N 0.333   -5.054 49.200 0.333   -5.054 49.200 H8  40P 59  
40P H9  H9  H 0 1 N N N -0.162  -6.344 50.347 -0.162  -6.344 50.347 H9  40P 60  
40P H10 H10 H 0 1 N N N -0.239  -5.905 52.554 -0.239  -5.905 52.554 H10 40P 61  
40P H11 H11 H 0 1 N N N 0.348   -4.291 53.082 0.348   -4.291 53.082 H11 40P 62  
40P H12 H12 H 0 1 N N N -2.215  -3.653 52.930 -2.215  -3.653 52.930 H12 40P 63  
40P H13 H13 H 0 1 N N N -2.508  -4.284 55.315 -2.508  -4.284 55.315 H13 40P 64  
40P H14 H14 H 0 1 N N N -1.082  -5.370 55.199 -1.082  -5.370 55.199 H14 40P 65  
40P H15 H15 H 0 1 N N N -0.878  -3.596 55.005 -0.878  -3.596 55.005 H15 40P 66  
40P H16 H16 H 0 1 N N N -2.572  -6.483 53.821 -2.572  -6.483 53.821 H16 40P 67  
40P H17 H17 H 0 1 N N N -4.295  -4.755 54.241 -4.295  -4.755 54.241 H17 40P 68  
40P H18 H18 H 0 1 N N N -4.447  -4.496 52.470 -4.447  -4.496 52.470 H18 40P 69  
40P H19 H19 H 0 1 N N N -4.886  -6.084 53.187 -4.886  -6.084 53.187 H19 40P 70  
40P H20 H20 H 0 1 N N N -3.395  -7.103 51.531 -3.395  -7.103 51.531 H20 40P 71  
40P H21 H21 H 0 1 N N N -1.616  -6.888 51.652 -1.616  -6.888 51.652 H21 40P 72  
40P H22 H22 H 0 1 N N N -1.601  -3.786 48.344 -1.601  -3.786 48.343 H22 40P 73  
40P H23 H23 H 0 1 N N N -1.844  -2.450 49.519 -1.844  -2.450 49.519 H23 40P 74  
40P H24 H24 H 0 1 N N N -3.766  -2.821 47.950 -3.766  -2.821 47.950 H24 40P 75  
40P H25 H25 H 0 1 N N N -4.008  -4.435 48.699 -4.008  -4.436 48.699 H25 40P 76  
40P H26 H26 H 0 1 N N N -4.488  -3.479 50.827 -4.488  -3.479 50.827 H26 40P 77  
40P H27 H27 H 0 1 N N N -3.935  -1.854 50.297 -3.935  -1.854 50.297 H27 40P 78  
40P H28 H28 H 0 1 N N N -7.475  -2.631 48.278 -7.475  -2.631 48.278 H28 40P 79  
40P H29 H29 H 0 1 N N N -5.906  -3.557 47.856 -5.906  -3.557 47.856 H29 40P 80  
40P H30 H30 H 0 1 N N N -6.163  -0.502 50.502 -6.163  -0.502 50.502 H30 40P 81  
40P H31 H31 H 0 1 N N N -7.675  -1.397 50.128 -7.675  -1.397 50.128 H31 40P 82  
40P H32 H32 H 0 1 N N N -5.691  -2.078 52.327 -5.691  -2.078 52.327 H32 40P 83  
40P H33 H33 H 0 1 N N N -8.353  -3.324 51.624 -8.353  -3.324 51.624 H33 40P 84  
40P H34 H34 H 0 1 N N N -6.734  -4.097 51.721 -6.734  -4.096 51.721 H34 40P 85  
40P H35 H35 H 0 1 N N N -8.328  -4.506 53.696 -8.328  -4.506 53.696 H35 40P 86  
40P H36 H36 H 0 1 N N N -6.676  -3.926 54.099 -6.676  -3.926 54.099 H36 40P 87  
40P H37 H37 H 0 1 N N N -8.649  -2.028 56.251 -8.649  -2.028 56.251 H37 40P 88  
40P H38 H38 H 0 1 N N N -10.069 -1.307 54.409 -10.069 -1.308 54.409 H38 40P 89  
40P H39 H39 H 0 1 N N N -9.598  -1.921 52.788 -9.598  -1.921 52.788 H39 40P 90  
40P H40 H40 H 0 1 N N N -10.291 -3.044 54.007 -10.291 -3.044 54.007 H40 40P 91  
40P H41 H41 H 0 1 N N N -8.477  0.605  54.196 -8.477  0.605  54.196 H41 40P 92  
40P H42 H42 H 0 1 N N N -8.485  -0.276 55.761 -8.485  -0.276 55.761 H42 40P 93  
40P H43 H43 H 0 1 N N N -6.509  1.639  54.706 -6.510  1.639  54.706 H43 40P 94  
40P H44 H44 H 0 1 N N N -6.680  0.980  56.369 -6.680  0.980  56.369 H44 40P 95  
40P H45 H45 H 0 1 N N N -4.460  0.588  56.778 -4.460  0.588  56.778 H45 40P 96  
40P H46 H46 H 0 1 N N N -5.406  -0.907 57.087 -5.406  -0.907 57.087 H46 40P 97  
40P H47 H47 H 0 1 N N N -3.857  -2.254 55.760 -3.857  -2.254 55.760 H47 40P 98  
40P H48 H48 H 0 1 N N N -2.876  -1.291 56.916 -2.876  -1.291 56.916 H48 40P 99  
40P H49 H49 H 0 1 N N N -1.845  -1.352 54.646 -1.845  -1.352 54.646 H49 40P 100 
40P H50 H50 H 0 1 N N N -2.303  0.317  55.125 -2.303  0.317  55.125 H50 40P 101 
40P H51 H51 H 0 1 N N N -3.862  -1.530 53.236 -3.862  -1.530 53.236 H51 40P 102 
40P H52 H52 H 0 1 N N N 1.249   -0.571 52.585 1.249   -0.572 52.585 H52 40P 103 
40P H53 H53 H 0 1 N N N 1.518   -0.555 50.083 1.518   -0.554 50.083 H53 40P 104 
40P H54 H54 H 0 1 N N N 2.101   1.301  51.388 2.101   1.301  51.388 H54 40P 105 
40P H55 H55 H 0 1 N N N -0.616  -0.718 49.167 -0.616  -0.718 49.167 H55 40P 106 
40P H56 H56 H 0 1 N N N 0.735   0.969  47.943 0.735   0.969  47.943 H56 40P 107 
40P H57 H57 H 0 1 N N N -1.032  1.260  47.805 -1.033  1.260  47.806 H57 40P 108 
40P H58 H58 H 0 1 N N N -0.040  2.268  48.912 -0.040  2.268  48.912 H58 40P 109 
40P H59 H59 H 0 1 N N N -1.637  1.745  50.587 -1.638  1.745  50.587 H59 40P 110 
40P H60 H60 H 0 1 N N N -2.556  0.441  49.761 -2.556  0.441  49.761 H60 40P 111 
40P H61 H61 H 0 1 N N N 0.151   -2.628 49.891 0.151   -2.628 49.891 H61 40P 112 
# 
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 
40P C67 C63 SING N N 1   
40P C38 C36 DOUB N N 2   
40P C34 C33 SING N N 3   
40P C34 C35 SING N N 4   
40P C33 C32 SING N N 5   
40P C36 C35 SING N N 6   
40P C36 C37 SING N N 7   
40P C63 C64 SING N N 8   
40P C63 C62 SING N N 9   
40P C10 C9  SING N N 10  
40P C10 C27 SING N N 11  
40P C32 N31 DOUB N N 12  
40P C32 C27 SING N N 13  
40P C64 C17 SING N N 14  
40P C37 C48 SING N N 15  
40P C62 O66 SING N N 16  
40P C62 C61 SING N N 17  
40P N31 C30 SING N N 18  
40P C9  C8  SING N N 19  
40P C12 C27 SING N N 20  
40P C12 C13 SING N N 21  
40P C12 C15 SING N N 22  
40P C27 C28 SING N N 23  
40P C8  C13 DOUB N N 24  
40P C8  C2  SING N N 25  
40P O3  C2  DOUB N N 26  
40P C2  O1  SING N N 27  
40P O16 C17 SING N N 28  
40P O16 C15 SING N N 29  
40P C30 C29 SING N N 30  
40P C17 C18 SING N N 31  
40P C17 O65 SING N N 32  
40P C15 C61 SING N N 33  
40P C61 O65 SING N N 34  
40P C48 C49 SING N N 35  
40P C48 O47 SING N N 36  
40P C49 C50 SING N N 37  
40P C18 C21 SING N N 38  
40P C28 C46 SING N N 39  
40P O47 C43 SING N N 40  
40P C29 C6  SING N N 41  
40P C29 C46 SING N N 42  
40P C46 C22 SING N N 43  
40P C21 O48 SING N N 44  
40P C21 C81 SING N N 45  
40P C50 C51 SING N N 46  
40P C53 C51 SING N N 47  
40P O48 C23 SING N N 48  
40P C43 C51 SING N N 49  
40P C43 O44 SING N N 50  
40P C43 C42 SING N N 51  
40P C51 O52 SING N N 52  
40P O44 C23 SING N N 53  
40P C81 C60 SING N N 54  
40P C42 C55 SING N N 55  
40P C23 C55 SING N N 56  
40P C23 C80 SING N N 57  
40P C60 C80 SING N N 58  
40P C13 H1  SING N N 59  
40P C18 H2  SING N N 60  
40P C18 H3  SING N N 61  
40P C15 H4  SING N N 62  
40P O1  H5  SING N N 63  
40P C9  H6  SING N N 64  
40P C9  H7  SING N N 65  
40P C10 H8  SING N N 66  
40P C10 H9  SING N N 67  
40P C28 H10 SING N N 68  
40P C28 H11 SING N N 69  
40P C46 H12 SING N N 70  
40P C22 H13 SING N N 71  
40P C22 H14 SING N N 72  
40P C22 H15 SING N N 73  
40P C29 H16 SING N N 74  
40P C6  H17 SING N N 75  
40P C6  H18 SING N N 76  
40P C6  H19 SING N N 77  
40P C30 H20 SING N N 78  
40P C30 H21 SING N N 79  
40P C33 H22 SING N N 80  
40P C33 H23 SING N N 81  
40P C34 H24 SING N N 82  
40P C34 H25 SING N N 83  
40P C35 H26 SING N N 84  
40P C35 H27 SING N N 85  
40P C38 H28 SING N N 86  
40P C38 H29 SING N N 87  
40P C37 H30 SING N N 88  
40P C37 H31 SING N N 89  
40P C48 H32 SING N N 90  
40P C49 H33 SING N N 91  
40P C49 H34 SING N N 92  
40P C50 H35 SING N N 93  
40P C50 H36 SING N N 94  
40P O52 H37 SING N N 95  
40P C53 H38 SING N N 96  
40P C53 H39 SING N N 97  
40P C53 H40 SING N N 98  
40P C42 H41 SING N N 99  
40P C42 H42 SING N N 100 
40P C55 H43 SING N N 101 
40P C55 H44 SING N N 102 
40P C80 H45 SING N N 103 
40P C80 H46 SING N N 104 
40P C60 H47 SING N N 105 
40P C60 H48 SING N N 106 
40P C81 H49 SING N N 107 
40P C81 H50 SING N N 108 
40P C21 H51 SING N N 109 
40P C61 H52 SING N N 110 
40P C62 H53 SING N N 111 
40P O66 H54 SING N N 112 
40P C63 H55 SING N N 113 
40P C67 H56 SING N N 114 
40P C67 H57 SING N N 115 
40P C67 H58 SING N N 116 
40P C64 H59 SING N N 117 
40P C64 H60 SING N N 118 
40P C12 H61 SING N N 119 
# 
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 
40P SMILES           ACDLabs              12.01 "O=C(O)C8=CC3C1(C(=NCC(C)C(C)C1)CCC/C(=C)CC7OC6(OC2(OC(CCC2)CC45OC3C(O4)C(O)C(C)C5)CC6)C(O)(CC7)C)CC8" 
40P InChI            InChI                1.03  
;InChI=1S/C41H61NO9/c1-24-8-6-10-32-38(20-25(2)27(4)23-42-32)15-11-28(36(44)45)19-31(38)34-35-33(43)26(3)21-40(49-34,50-35)22-30-9-7-13-39(47-30)16-17-41(51-39)37(5,46)14-12-29(18-24)48-41/h19,25-27,29-31,33-35,43,46H,1,6-18,20-23H2,2-5H3,(H,44,45)/t25-,26+,27-,29-,30+,31+,33+,34-,35+,37+,38+,39+,40+,41+/m0/s1
;
40P InChIKey         InChI                1.03  ZYFHPTPXLHNGQK-OICTYLSBSA-N 
40P SMILES_CANONICAL CACTVS               3.385 "C[C@H]1CN=C2CCCC(=C)C[C@@H]3CC[C@@](C)(O)[C@]4(CC[C@@]5(CCC[C@H](C[C@@]67C[C@@H](C)[C@@H](O)[C@@H](O6)[C@@H](O7)[C@H]8C=C(CC[C@]28C[C@@H]1C)C(O)=O)O5)O4)O3" 
40P SMILES           CACTVS               3.385 "C[CH]1CN=C2CCCC(=C)C[CH]3CC[C](C)(O)[C]4(CC[C]5(CCC[CH](C[C]67C[CH](C)[CH](O)[CH](O6)[CH](O7)[CH]8C=C(CC[C]28C[CH]1C)C(O)=O)O5)O4)O3" 
40P SMILES_CANONICAL "OpenEye OEToolkits" 1.9.2 "C[C@H]1C[C@]23CCC(=C[C@@H]2[C@H]4[C@H]5[C@@H]([C@@H](C[C@@](O4)(O5)C[C@H]6CCC[C@]7(O6)CC[C@@]8(O7)[C@](CC[C@H](O8)CC(=C)CCCC3=NC[C@@H]1C)(C)O)C)O)C(=O)O" 
40P SMILES           "OpenEye OEToolkits" 1.9.2 "CC1CC23CCC(=CC2C4C5C(C(CC(O4)(O5)CC6CCCC7(O6)CCC8(O7)C(CCC(O8)CC(=C)CCCC3=NCC1C)(C)O)C)O)C(=O)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 
40P "SYSTEMATIC NAME" ACDLabs 12.01 
;(1R,3R,7R,10R,11R,14S,23R,24S,26R,31S,32S,33R,34R,35R)-11,34-dihydroxy-11,23,24,35-tetramethyl-16-methylidene-37,38,39,40,41-pentaoxa-21-azaoctacyclo[30.4.1.1~1,33~.1~3,7~.1~7,10~.1~10,14~.0~20,26~.0~26,31~]hentetraconta-20,29-diene-29-carboxylic acid (non-preferred name)
;
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
40P "Create component" 2015-01-06 EBI  
40P "Modify name"      2015-01-06 EBI  
40P "Initial release"  2015-06-03 RCSB 
# 
