Ketcher 03031711402D 1 1.00000 0.00000 0 53 53 0 0 0 999 V2000 9.4159 -9.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4159 -10.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5590 -8.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5590 -10.5259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7021 -9.0418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7021 -10.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8423 -8.5590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8423 -10.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8423 -11.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2756 -10.5378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 -10.5378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1232 -10.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5707 -11.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9698 -11.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9816 -10.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8355 -10.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9874 -11.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6953 -10.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5491 -10.0160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9520 -12.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1985 -12.8520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -12.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 -13.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3264 -14.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 -13.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 -14.8983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8491 -14.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9047 -15.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2101 -16.7471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 -17.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7259 -17.6038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2312 -16.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1995 -16.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6940 -17.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2101 -18.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1993 -18.4607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6822 -15.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7153 -19.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2035 -14.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2141 -14.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6326 -13.2975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6326 -14.8983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6913 -14.5924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6834 -17.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1781 -16.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6238 -15.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6983 -14.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6876 -14.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2035 -15.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1823 -15.8115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0120 -18.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3975 -18.3101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6875 -16.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 5 3 1 0 0 0 6 4 2 0 0 0 6 5 1 0 0 0 5 7 1 1 0 0 6 8 1 0 0 0 8 9 1 0 0 0 2 10 1 0 0 0 11 12 1 0 0 0 13 11 2 0 0 0 10 11 1 0 0 0 14 10 1 0 0 0 12 15 2 0 0 0 15 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 18 19 1 0 0 0 22 21 1 0 0 0 21 20 1 0 0 0 23 21 2 0 0 0 24 23 1 0 0 0 25 24 2 0 0 0 26 24 1 0 0 0 27 26 1 0 0 0 26 28 1 0 0 0 31 30 1 0 0 0 32 31 1 0 0 0 32 28 1 0 0 0 33 29 1 0 0 0 30 29 1 0 0 0 34 33 1 0 0 0 35 30 1 0 0 0 36 35 1 0 0 0 33 37 2 0 0 0 35 38 2 0 0 0 40 39 1 0 0 0 41 40 2 0 0 0 42 40 1 0 0 0 43 42 1 0 0 0 44 34 1 0 0 0 36 34 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 42 1 0 0 0 47 39 2 0 0 0 48 47 1 0 0 0 47 49 1 0 0 0 48 50 1 0 0 0 30 51 1 1 0 0 34 52 1 1 0 0 9 22 1 0 0 0 50 53 1 0 0 0 M CHG 3 14 -1 27 -1 43 -1 M END > CHEBI:133862 > desferricoprogen B(3-) > A hydroxamic acid anion resulting from the removal of a proton from each of the three hydroxamic acid groups of desferricoprogen B. > 3 > (3E)-5-[{3-[(2S,5S)-5-(3-{[(2E)-5-hydroxy-3-methylpent-2-enoyl](oxido)amino}propyl)-3,6-dioxopiperazin-2-yl]propyl}(oxido)amino]-3-methyl-5-oxopent-3-en-1-yl N(5)-[(2E)-5-hydroxy-3-methylpent-2-enoyl]-N(5)-oxido-L-ornithinate > C33H51N6O12 > 723.792 > 723.35814 > -3 > C(CN(C(/C=C(/CCO)\C)=O)[O-])C[C@@H](C(=O)OCC/C(/C)=C/C(=O)N([O-])CCC[C@@]1(NC([C@](CCCN(C(/C=C(/CCO)\C)=O)[O-])(NC1=O)[H])=O)[H])N > InChI=1S/C33H51N6O12/c1-22(10-16-40)19-28(42)37(48)13-4-7-25(34)33(47)51-18-12-24(3)21-30(44)39(50)15-6-9-27-32(46)35-26(31(45)36-27)8-5-14-38(49)29(43)20-23(2)11-17-41/h19-21,25-27,40-41H,4-18,34H2,1-3H3,(H,35,46)(H,36,45)/q-3/b22-19+,23-20+,24-21+/t25-,26-,27-/m0/s1 > HGCCTBFXHVERQM-CAGSISFISA-N > 20376388 $$$$