data_H4Z
# 
_chem_comp.id                                    H4Z 
_chem_comp.name                                  5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL)ETHYL]AMINO}PHENYL)-5-DEOXY-1-O-{5-O-[(1,3-DICARBOXYPROPOXY)(HYDROXY)PHOSPHORYL]PENTOFURANOSYL}PENTITOL 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C31 H45 N6 O17 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2006-02-10 
_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                        804.693 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     H4Z 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        2FHJ 
_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 
H4Z O1   O1   O 0 1 N N N ?       ?      ?      -12.876 0.881  1.674  O1   H4Z 1   
H4Z C1   C1   C 0 1 N N N ?       ?      ?      -11.998 1.892  1.578  C1   H4Z 2   
H4Z O2   O2   O 0 1 N N N ?       ?      ?      -12.204 2.928  2.167  O2   H4Z 3   
H4Z C2   C2   C 0 1 N N N ?       ?      ?      -10.758 1.737  0.737  C2   H4Z 4   
H4Z C3   C3   C 0 1 N N N ?       ?      ?      -9.935  3.025  0.799  C3   H4Z 5   
H4Z C4   C4   C 0 1 N N N ?       ?      ?      -8.675  2.867  -0.055 C4   H4Z 6   
H4Z O3   O3   O 0 1 N N N ?       ?      ?      -7.839  1.857  0.513  O3   H4Z 7   
H4Z P1   P1   P 0 1 N N N ?       ?      ?      -7.669  0.711  -0.606 P1   H4Z 8   
H4Z O4   O4   O 0 1 N N N ?       ?      ?      -9.005  0.244  -1.039 O4   H4Z 9   
H4Z O5   O5   O 0 1 N N N ?       ?      ?      -6.873  1.309  -1.871 O5   H4Z 10  
H4Z O6   O6   O 0 1 N N N ?       ?      ?      -6.844  -0.525 0.013  O6   H4Z 11  
H4Z C5   C5   C 0 1 N N N ?       ?      ?      -6.829  -1.551 -0.981 C5   H4Z 12  
H4Z C6   C6   C 0 1 N N N ?       ?      ?      -6.055  -2.761 -0.454 C6   H4Z 13  
H4Z O7   O7   O 0 1 N N N ?       ?      ?      -4.660  -2.430 -0.283 O7   H4Z 14  
H4Z C7   C7   C 0 1 N N N ?       ?      ?      -3.966  -3.697 -0.277 C7   H4Z 15  
H4Z O8   O8   O 0 1 N N N ?       ?      ?      -2.585  -3.509 -0.592 O8   H4Z 16  
H4Z C8   C8   C 0 1 N N N ?       ?      ?      -1.986  -2.875 0.540  C8   H4Z 17  
H4Z C9   C9   C 0 1 N N N ?       ?      ?      -0.498  -2.644 0.267  C9   H4Z 18  
H4Z O9   O9   O 0 1 N N N ?       ?      ?      0.165   -3.904 0.145  O9   H4Z 19  
H4Z C10  C10  C 0 1 N N N ?       ?      ?      0.116   -1.855 1.425  C10  H4Z 20  
H4Z O10  O10  O 0 1 N N N ?       ?      ?      -0.547  -0.595 1.547  O10  H4Z 21  
H4Z C11  C11  C 0 1 N N N ?       ?      ?      1.604   -1.624 1.152  C11  H4Z 22  
H4Z O11  O11  O 0 1 N N N ?       ?      ?      2.267   -2.884 1.029  O11  H4Z 23  
H4Z C12  C12  C 0 1 N N N -47.650 66.705 45.349 2.218   -0.834 2.310  C12  H4Z 24  
H4Z C13  C13  C 0 1 Y N N -46.703 66.479 46.561 3.651   -0.501 1.985  C13  H4Z 25  
H4Z C14  C14  C 0 1 Y N N -46.438 67.514 47.465 4.662   -1.373 2.347  C14  H4Z 26  
H4Z C15  C15  C 0 1 Y N N -45.581 67.298 48.549 5.976   -1.073 2.047  C15  H4Z 27  
H4Z C16  C16  C 0 1 Y N N -44.979 66.047 48.732 6.283   0.112  1.389  C16  H4Z 28  
H4Z N1   N1   N 0 1 N N N -44.098 65.814 49.874 7.611   0.421  1.088  N1   H4Z 29  
H4Z C17  C17  C 0 1 N N N -44.640 64.848 50.834 8.683   -0.502 1.471  C17  H4Z 30  
H4Z C18  C18  C 0 1 N N N -44.413 68.432 51.860 9.453   0.076  2.659  C18  H4Z 31  
H4Z C19  C19  C 0 1 N N N -43.663 64.564 52.012 9.637   -0.694 0.290  C19  H4Z 32  
H4Z N2   N2   N 0 1 N N N -42.293 65.126 51.849 10.171  0.610  -0.135 N2   H4Z 33  
H4Z C20  C20  C 0 1 Y N N -41.230 64.122 51.737 9.333   1.473  -0.869 C20  H4Z 34  
H4Z C21  C21  C 0 1 Y N N -41.482 62.816 51.443 8.175   0.984  -1.460 C21  H4Z 35  
H4Z N3   N3   N 0 1 Y N N -40.348 61.909 51.335 7.389   1.813  -2.157 N3   H4Z 36  
H4Z C22  C22  C 0 1 Y N N -39.073 62.339 51.527 7.694   3.086  -2.289 C22  H4Z 37  
H4Z N4   N4   N 0 1 N N N -38.082 61.478 51.426 6.861   3.902  -3.011 N4   H4Z 38  
H4Z N5   N5   N 0 1 Y N N -38.806 63.610 51.821 8.815   3.614  -1.726 N5   H4Z 39  
H4Z C23  C23  C 0 1 Y N N -39.781 64.510 51.934 9.651   2.829  -1.013 C23  H4Z 40  
H4Z O12  O12  O 0 1 N N N -39.464 65.653 52.205 10.661  3.291  -0.505 O12  H4Z 41  
H4Z N6   N6   N 0 1 N N N -42.827 62.288 51.218 7.843   -0.353 -1.325 N6   H4Z 42  
H4Z C24  C24  C 0 1 N N N -43.823 63.038 51.957 8.877   -1.306 -0.897 C24  H4Z 43  
H4Z C25  C25  C 0 1 N N N -44.881 62.113 52.572 8.221   -2.619 -0.467 C25  H4Z 44  
H4Z C26  C26  C 0 1 Y N N -45.256 65.013 47.833 5.266   0.986  1.027  C26  H4Z 45  
H4Z C27  C27  C 0 1 Y N N -46.112 65.229 46.750 3.953   0.677  1.326  C27  H4Z 46  
H4Z C28  C28  C 0 1 N N N ?       ?      ?      -4.660  -4.532 -1.377 C28  H4Z 47  
H4Z O13  O13  O 0 1 N N N ?       ?      ?      -3.953  -4.416 -2.614 O13  H4Z 48  
H4Z C29  C29  C 0 1 N N N ?       ?      ?      -6.066  -3.902 -1.496 C29  H4Z 49  
H4Z O14  O14  O 0 1 N N N ?       ?      ?      -6.270  -3.378 -2.809 O14  H4Z 50  
H4Z C30  C30  C 0 1 N N N ?       ?      ?      -7.927  4.175  -0.094 C30  H4Z 51  
H4Z O15  O15  O 0 1 N N N ?       ?      ?      -6.794  4.235  0.322  O15  H4Z 52  
H4Z O16  O16  O 0 1 N N N ?       ?      ?      -8.520  5.272  -0.590 O16  H4Z 53  
H4Z C31  C31  C 0 1 N N N -40.805 66.811 49.112 11.434  0.970  0.171  C31  H4Z 54  
H4Z O17  O17  O 0 1 N N N -39.602 66.536 48.973 12.106  0.266  0.896  O17  H4Z 55  
H4Z HO1  HO1  H 0 1 N N N ?       ?      ?      -13.672 0.981  2.213  HO1  H4Z 56  
H4Z H21  1H2  H 0 1 N N N ?       ?      ?      -11.042 1.536  -0.296 H21  H4Z 57  
H4Z H22  2H2  H 0 1 N N N ?       ?      ?      -10.162 0.907  1.118  H22  H4Z 58  
H4Z H31A 1H3  H 0 0 N N N ?       ?      ?      -9.651  3.226  1.832  H31A H4Z 59  
H4Z H32  2H3  H 0 1 N N N ?       ?      ?      -10.530 3.855  0.418  H32  H4Z 60  
H4Z H4   H4   H 0 1 N N N ?       ?      ?      -8.956  2.579  -1.068 H4   H4Z 61  
H4Z HO5  HO5  H 0 1 N N N ?       ?      ?      -6.011  1.601  -1.545 HO5  H4Z 62  
H4Z H51  1H5  H 0 1 N N N ?       ?      ?      -6.346  -1.176 -1.883 H51  H4Z 63  
H4Z H52  2H5  H 0 1 N N N ?       ?      ?      -7.852  -1.847 -1.213 H52  H4Z 64  
H4Z H6   H6   H 0 1 N N N ?       ?      ?      -6.482  -3.102 0.489  H6   H4Z 65  
H4Z H7   H7   H 0 1 N N N ?       ?      ?      -4.071  -4.183 0.693  H7   H4Z 66  
H4Z H81  1H8  H 0 1 N N N ?       ?      ?      -2.100  -3.513 1.416  H81  H4Z 67  
H4Z H82  2H8  H 0 1 N N N ?       ?      ?      -2.475  -1.918 0.721  H82  H4Z 68  
H4Z H9   H9   H 0 1 N N N ?       ?      ?      -0.382  -2.081 -0.659 H9   H4Z 69  
H4Z HO9  HO9  H 0 1 N N N ?       ?      ?      0.038   -4.369 0.983  HO9  H4Z 70  
H4Z H10  H10  H 0 1 N N N ?       ?      ?      0.000   -2.418 2.351  H10  H4Z 71  
H4Z H1   H1   H 0 1 N N N ?       ?      ?      -0.420  -0.130 0.709  H1   H4Z 72  
H4Z H11  H11  H 0 1 N N N ?       ?      ?      1.720   -1.060 0.226  H11  H4Z 73  
H4Z H2   H2   H 0 1 N N N ?       ?      ?      2.140   -3.349 1.868  H2   H4Z 74  
H4Z H121 1H12 H 0 0 N N N -47.667 67.709 44.900 2.181   -1.435 3.219  H121 H4Z 75  
H4Z H122 2H12 H 0 0 N N N -48.743 66.650 45.461 1.655   0.087  2.460  H122 H4Z 76  
H4Z H14  H14  H 0 1 N N N -46.896 68.482 47.325 4.422   -2.292 2.862  H14  H4Z 77  
H4Z H15  H15  H 0 1 N N N -45.383 68.098 49.247 6.764   -1.754 2.329  H15  H4Z 78  
H4Z HN1  HN1  H 0 1 N N N -43.228 65.460 49.531 7.825   1.246  0.625  HN1  H4Z 79  
H4Z H17  H17  H 0 1 N N N -45.278 63.982 50.607 8.252   -1.464 1.750  H17  H4Z 80  
H4Z H181 1H18 H 0 0 N N N -44.391 68.499 52.958 9.939   1.005  2.361  H181 H4Z 81  
H4Z H182 2H18 H 0 0 N N N -43.494 68.874 51.447 8.762   0.274  3.479  H182 H4Z 82  
H4Z H183 3H18 H 0 0 N N N -45.287 68.979 51.477 10.208  -0.640 2.986  H183 H4Z 83  
H4Z H19  H19  H 0 1 N N N -43.866 65.033 52.986 10.456  -1.352 0.581  H19  H4Z 84  
H4Z HN41 1HN4 H 0 0 N N N -37.926 61.260 50.463 7.074   4.842  -3.115 HN41 H4Z 85  
H4Z HN42 2HN4 H 0 0 N N N -37.252 61.878 51.815 6.058   3.538  -3.417 HN42 H4Z 86  
H4Z HN5  HN5  H 0 1 N N N -37.857 63.894 51.959 9.014   4.557  -1.838 HN5  H4Z 87  
H4Z HN6  HN6  H 0 1 N N N -43.037 62.347 50.242 6.940   -0.656 -1.510 HN6  H4Z 88  
H4Z H24  H24  H 0 1 N N N -44.451 63.820 52.409 9.568   -1.492 -1.719 H24  H4Z 89  
H4Z H251 1H25 H 0 0 N N N -44.613 61.892 53.616 7.531   -2.429 0.355  H251 H4Z 90  
H4Z H252 2H25 H 0 0 N N N -45.863 62.609 52.543 7.674   -3.045 -1.308 H252 H4Z 91  
H4Z H253 3H25 H 0 0 N N N -44.926 61.175 51.998 8.990   -3.320 -0.141 H253 H4Z 92  
H4Z H26  H26  H 0 1 N N N -44.806 64.042 47.976 5.501   1.906  0.513  H26  H4Z 93  
H4Z H27  H27  H 0 1 N N N -46.317 64.426 46.057 3.162   1.356  1.045  H27  H4Z 94  
H4Z H28  H28  H 0 1 N N N ?       ?      ?      -4.733  -5.576 -1.074 H28  H4Z 95  
H4Z H13  H13  H 0 1 N N N ?       ?      ?      -3.087  -4.824 -2.480 H13  H4Z 96  
H4Z H29  H29  H 0 1 N N N ?       ?      ?      -6.836  -4.634 -1.253 H29  H4Z 97  
H4Z H3   H3   H 0 1 N N N ?       ?      ?      -6.267  -4.132 -3.415 H3   H4Z 98  
H4Z H16  H16  H 0 1 N N N ?       ?      ?      -8.040  6.111  -0.615 H16  H4Z 99  
H4Z H31  H31  H 0 1 N N N -41.341 67.492 48.467 11.846  1.884  -0.228 H31  H4Z 100 
# 
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 
H4Z O1  C1   SING N N 1   
H4Z O1  HO1  SING N N 2   
H4Z C1  O2   DOUB N N 3   
H4Z C1  C2   SING N N 4   
H4Z C2  C3   SING N N 5   
H4Z C2  H21  SING N N 6   
H4Z C2  H22  SING N N 7   
H4Z C3  C4   SING N N 8   
H4Z C3  H31A SING N N 9   
H4Z C3  H32  SING N N 10  
H4Z C4  O3   SING N N 11  
H4Z C4  C30  SING N N 12  
H4Z C4  H4   SING N N 13  
H4Z O3  P1   SING N N 14  
H4Z P1  O4   DOUB N N 15  
H4Z P1  O5   SING N N 16  
H4Z P1  O6   SING N N 17  
H4Z O5  HO5  SING N N 18  
H4Z O6  C5   SING N N 19  
H4Z C5  C6   SING N N 20  
H4Z C5  H51  SING N N 21  
H4Z C5  H52  SING N N 22  
H4Z C6  O7   SING N N 23  
H4Z C6  C29  SING N N 24  
H4Z C6  H6   SING N N 25  
H4Z O7  C7   SING N N 26  
H4Z C7  O8   SING N N 27  
H4Z C7  C28  SING N N 28  
H4Z C7  H7   SING N N 29  
H4Z O8  C8   SING N N 30  
H4Z C8  C9   SING N N 31  
H4Z C8  H81  SING N N 32  
H4Z C8  H82  SING N N 33  
H4Z C9  O9   SING N N 34  
H4Z C9  C10  SING N N 35  
H4Z C9  H9   SING N N 36  
H4Z O9  HO9  SING N N 37  
H4Z C10 O10  SING N N 38  
H4Z C10 C11  SING N N 39  
H4Z C10 H10  SING N N 40  
H4Z O10 H1   SING N N 41  
H4Z C11 O11  SING N N 42  
H4Z C11 C12  SING N N 43  
H4Z C11 H11  SING N N 44  
H4Z O11 H2   SING N N 45  
H4Z C12 C13  SING N N 46  
H4Z C12 H121 SING N N 47  
H4Z C12 H122 SING N N 48  
H4Z C13 C14  SING Y N 49  
H4Z C13 C27  DOUB Y N 50  
H4Z C14 C15  DOUB Y N 51  
H4Z C14 H14  SING N N 52  
H4Z C15 C16  SING Y N 53  
H4Z C15 H15  SING N N 54  
H4Z C16 N1   SING N N 55  
H4Z C16 C26  DOUB Y N 56  
H4Z N1  C17  SING N N 57  
H4Z N1  HN1  SING N N 58  
H4Z C17 C18  SING N N 59  
H4Z C17 C19  SING N N 60  
H4Z C17 H17  SING N N 61  
H4Z C18 H181 SING N N 62  
H4Z C18 H182 SING N N 63  
H4Z C18 H183 SING N N 64  
H4Z C19 N2   SING N N 65  
H4Z C19 C24  SING N N 66  
H4Z C19 H19  SING N N 67  
H4Z N2  C20  SING N N 68  
H4Z N2  C31  SING N N 69  
H4Z C20 C21  DOUB Y N 70  
H4Z C20 C23  SING Y N 71  
H4Z C21 N3   SING Y N 72  
H4Z C21 N6   SING N N 73  
H4Z N3  C22  DOUB Y N 74  
H4Z C22 N4   SING N N 75  
H4Z C22 N5   SING Y N 76  
H4Z N4  HN41 SING N N 77  
H4Z N4  HN42 SING N N 78  
H4Z N5  C23  SING Y N 79  
H4Z N5  HN5  SING N N 80  
H4Z C23 O12  DOUB N N 81  
H4Z N6  C24  SING N N 82  
H4Z N6  HN6  SING N N 83  
H4Z C24 C25  SING N N 84  
H4Z C24 H24  SING N N 85  
H4Z C25 H251 SING N N 86  
H4Z C25 H252 SING N N 87  
H4Z C25 H253 SING N N 88  
H4Z C26 C27  SING Y N 89  
H4Z C26 H26  SING N N 90  
H4Z C27 H27  SING N N 91  
H4Z C28 O13  SING N N 92  
H4Z C28 C29  SING N N 93  
H4Z C28 H28  SING N N 94  
H4Z O13 H13  SING N N 95  
H4Z C29 O14  SING N N 96  
H4Z C29 H29  SING N N 97  
H4Z O14 H3   SING N N 98  
H4Z C30 O15  DOUB N N 99  
H4Z C30 O16  SING N N 100 
H4Z O16 H16  SING N N 101 
H4Z C31 O17  DOUB N N 102 
H4Z C31 H31  SING N N 103 
# 
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 
H4Z SMILES           ACDLabs              10.04 O=C2NC(=NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C)N 
H4Z InChI            InChI                1.02b 
;InChI=1/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14?,17?,18?,19?,20?,22+,24?,25?,26?,30?/m1/s1/f/h34,36,41,47,49H,32H2
;
H4Z InChIKey         InChI                1.02b RMPHWTMYCVTPKB-CNSUUNSQDC 
H4Z SMILES_CANONICAL CACTVS               3.341 C[C@@H](Nc1ccc(CC(O)C(O)C(O)COC2OC(CO[P](O)(=O)OC(CCC(O)=O)C(O)=O)C(O)C2O)cc1)[C@H]3[C@H](C)NC4=C(N3C=O)C(=O)NC(=N4)N 
H4Z SMILES           CACTVS               3.341 C[CH](Nc1ccc(CC(O)C(O)C(O)COC2OC(CO[P](O)(=O)OC(CCC(O)=O)C(O)=O)C(O)C2O)cc1)[CH]3[CH](C)NC4=C(N3C=O)C(=O)NC(=N4)N 
H4Z SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 CC1[C@@H](N(C2=C(N1)N=C(NC2=O)N)C=O)[C@@H](C)Nc3ccc(cc3)C[C@H]([C@H]([C@H](CO[C@@H]4[C@@H]([C@@H]([C@@H](O4)CO[P@@](=O)(O)O[C@@H](CCC(=O)O)C(=O)O)O)O)O)O)O 
H4Z SMILES           "OpenEye OEToolkits" 1.5.0 CC1C(N(C2=C(N1)N=C(NC2=O)N)C=O)C(C)Nc3ccc(cc3)CC(C(C(COC4C(C(C(O4)COP(=O)(O)OC(CCC(=O)O)C(=O)O)O)O)O)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 
H4Z "SYSTEMATIC NAME" ACDLabs              10.04 1-[4-({(1R)-1-[(6S,7S)-2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol 
H4Z "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
"(2S)-2-[[(2S,3S,4R,5S)-5-[(2S,3R,4R)-5-[4-[[(1R)-1-[(6S)-2-amino-5-methanoyl-7-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxy-pentoxy]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxypentanedioic acid" 
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