Marvin 06291009372D 111106 0 0 1 0 999 V2000 5.8209 -26.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5366 -25.9358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2485 -26.3525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5415 -25.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 -25.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6786 -26.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3968 -25.9585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6713 -27.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9678 -25.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2534 -24.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2534 -23.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1161 -26.3653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8269 -25.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5451 -26.3525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8196 -25.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1161 -27.1903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4017 -27.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8305 -27.6028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2644 -25.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9750 -26.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6932 -25.9585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9678 -27.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2644 -25.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5498 -24.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5498 -23.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4126 -26.3653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1233 -25.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8414 -26.3525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1159 -25.1214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4126 -27.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5607 -25.9458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2715 -26.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2642 -27.1896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9897 -25.9585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5607 -25.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8463 -24.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8463 -23.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.9686 -27.6217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9466 -28.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2212 -28.8396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6497 -28.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6902 -27.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3973 -27.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1845 -29.6654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4524 -30.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4157 -30.8698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7570 -29.6017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8838 -30.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8544 -30.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6892 -31.2637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9860 -30.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2607 -31.2254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0081 -30.0075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6745 -32.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3815 -32.5137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3668 -33.3384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5488 -30.8059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5561 -29.9809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8455 -29.5620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2743 -29.5749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8343 -31.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8343 -32.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1199 -32.4559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8381 -28.7357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5489 -28.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5414 -27.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2669 -28.7230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1164 -28.3361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4093 -28.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1017 -27.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1270 -27.6028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9655 -23.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6811 -23.8741 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 -23.4572 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2736 -24.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0887 -24.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -23.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9776 -23.8741 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6896 -23.4572 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.5700 -24.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3851 -24.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5583 -23.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2740 -23.8741 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.9859 -23.4572 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 16.8664 -24.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6814 -24.5897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0788 -33.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7945 -33.3477 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.5064 -33.7646 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.3870 -32.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2021 -32.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4078 -32.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6921 -32.4468 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9802 -32.0300 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.0997 -33.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2847 -33.1623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 -27.1684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5356 -27.5807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5358 -28.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2503 -28.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2504 -29.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9647 -28.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3827 -28.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1190 -27.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1257 -31.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5538 -31.3651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0553 -24.1069 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 14.4089 -24.1466 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 18.6134 -24.0870 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.9957 -30.7466 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 19.0011 -32.6054 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 5 3 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 5 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 7 1 6 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 12 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 6 0 0 0 19 14 1 1 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 19 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 26 21 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 26 30 1 0 0 0 0 31 28 1 1 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 31 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 38 33 1 6 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 38 42 1 0 0 0 0 42 43 1 0 0 0 0 44 40 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 44 48 1 0 0 0 0 48 49 1 0 0 0 0 50 46 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 50 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 57 52 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 57 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 64 59 1 1 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 65 67 1 0 0 0 0 64 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 1 0 0 0 30 71 1 0 0 0 0 71 67 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 75 2 0 0 0 0 73 76 2 0 0 0 0 72 11 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 78 81 2 0 0 0 0 77 25 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 85 2 0 0 0 0 83 86 2 0 0 0 0 82 37 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 2 0 0 0 0 88 91 2 0 0 0 0 87 56 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 93 96 2 0 0 0 0 92 63 1 0 0 0 0 1 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100102 1 0 0 0 0 43103 1 0 0 0 0 43104 1 0 0 0 0 49105 1 0 0 0 0 49106 1 0 0 0 0 M CHG 8 74 -1 79 -1 84 -1 89 -1 94 -1 107 1 108 1 109 1 M CHG 2 110 1 111 1 M END > CHEBI:59664 > colistin B sodium methanesulfonate > Colistin B in which each of the primary amino groups is converted into the corresponding aminomethanesulfonic acid sodium salt, commonly by treatment with formaldehyde followed by sodium bisulfite. > 3 > polymyxin E2 sulfomethate sodium; polymyxin E2 sodium methanesulfonate; colistin B sulfomethate sodium > pentasodium {[(3S)-4-{[(3S,6S,9S,12S,15R,18S,21S)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-6,9,18-tris{2-[(sulfonatomethyl)amino]ethyl}-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-3-{[(2S,3R)-3-hydroxy-2-({(2S)-2-[(6-methylheptanoyl)amino]-4-[(sulfonatomethyl)amino]butanoyl}amino)butanoyl]amino}-4-oxobutyl]amino}methanesulfonate > C57H103N16Na5O28S5 > 1735.79200 > 1734.52197 > 0 > [Na+].[Na+].[Na+].[Na+].[Na+].CC(C)CCCCC(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCNCS([O-])(=O)=O)C(=O)N[C@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCNCS([O-])(=O)=O)NC1=O)[C@@H](C)O > InChI=1S/C57H108N16O28S5.5Na/c1-32(2)11-9-10-12-45(76)64-37(13-19-58-27-102(87,88)89)52(81)73-47(36(8)75)57(86)69-40(16-22-61-30-105(96,97)98)49(78)67-42-18-24-63-56(85)46(35(7)74)72-53(82)41(17-23-62-31-106(99,100)101)66-48(77)38(14-20-59-28-103(90,91)92)68-54(83)43(25-33(3)4)71-55(84)44(26-34(5)6)70-51(80)39(65-50(42)79)15-21-60-29-104(93,94)95;;;;;/h32-44,46-47,58-62,74-75H,9-31H2,1-8H3,(H,63,85)(H,64,76)(H,65,79)(H,66,77)(H,67,78)(H,68,83)(H,69,86)(H,70,80)(H,71,84)(H,72,82)(H,73,81)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101);;;;;/q;5*+1/p-5/t35-,36-,37+,38+,39+,40+,41+,42+,43+,44-,46+,47+;;;;;/m1...../s1 > WZLRYLCDDODFHL-WSNMVEPOSA-I > 16931410 $$$$