Mrv1718006261812152D 105 99 0 0 0 0 999 V2000 0.0805 -0.7345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9005 -0.7394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0530 0.4173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7655 -0.3781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4776 1.1201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3457 0.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9814 -1.4861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2877 -0.3049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7076 0.3879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7337 0.0805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1157 -0.4074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8956 -2.1792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7190 -1.3690 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9913 -2.9162 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3251 -0.0366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5665 -0.7785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1591 -1.4569 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2731 -1.7351 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3197 -0.0120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3024 1.1201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5307 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4267 1.3886 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2883 2.9358 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5447 2.1402 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5086 0.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4630 -0.3049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5404 -1.1201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3604 -1.1055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9088 0.0658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8013 -1.4861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5903 -0.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1549 0.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9152 0.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9667 -0.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0952 0.6955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2909 -0.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9283 1.4911 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5276 0.7979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1632 0.7687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7483 1.4911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7867 -0.0512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2163 -0.7637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3105 -1.4569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5813 -2.2084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1486 -0.6515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3343 -1.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 -1.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7509 1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0676 1.8426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3049 1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5233 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2017 0.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1347 1.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6886 2.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0265 0.6515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 -2.8820 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.5813 -3.6240 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1340 -2.0865 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.6880 -2.4525 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5740 -2.1597 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4683 2.9358 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.2613 1.3837 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3695 2.1256 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3099 -1.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7136 -3.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7136 -2.5112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1333 -1.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 -2.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5606 -2.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6972 -1.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1591 -0.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9547 -1.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2315 2.1842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7492 2.3453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 3.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4983 3.7411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 2.9358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6409 1.5936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2427 1.8279 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.5807 1.0469 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.3409 1.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4873 2.5551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1304 -1.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0384 -1.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7801 -1.8230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4940 -0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2260 -2.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0412 -0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9832 0.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5903 -3.7411 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 -9.3834 0.4612 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 -5.6593 0.9737 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 -2.6917 2.8773 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 -1.6667 -2.9797 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.0420 -3.6386 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.5905 -3.1994 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 1.2959 1.6668 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.7851 3.5361 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.9533 -2.9358 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.3834 0.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5399 -0.9884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -0.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8539 -1.1884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 -0.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 32 1 6 0 0 0 4 28 1 0 0 0 0 5 3 1 0 0 0 0 6 21 1 0 0 0 0 7 16 1 0 0 0 0 8 26 1 0 0 0 0 9 8 1 0 0 0 0 10 29 1 0 0 0 0 11 36 1 0 0 0 0 12 43 1 0 0 0 0 13 45 1 0 0 0 0 14 44 1 0 0 0 0 15 2 1 0 0 0 0 16 31 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 1 1 0 0 0 0 20 5 1 0 0 0 0 21 11 1 0 0 0 0 22 55 1 0 0 0 0 23 54 1 0 0 0 0 24 53 1 0 0 0 0 25 38 1 6 0 0 0 26 3 1 0 0 0 0 27 11 1 0 0 0 0 28 27 1 0 0 0 0 29 25 1 0 0 0 0 30 7 1 0 0 0 0 4 31 1 6 0 0 0 32 15 1 0 0 0 0 33 35 1 0 0 0 0 34 16 1 0 0 0 0 35 19 1 0 0 0 0 19 36 1 6 0 0 0 37 25 1 0 0 0 0 38 9 1 0 0 0 0 39 40 1 0 0 0 0 40 37 1 0 0 0 0 41 34 1 0 0 0 0 42 41 1 0 0 0 0 2 43 1 6 0 0 0 7 44 1 6 0 0 0 10 45 1 6 0 0 0 1 46 1 1 0 0 0 8 47 1 6 0 0 0 6 48 1 1 0 0 0 5 49 1 6 0 0 0 35 50 1 1 0 0 0 37 51 1 1 0 0 0 41 52 1 1 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 55 52 1 0 0 0 0 56 12 1 0 0 0 0 57 14 1 0 0 0 0 58 13 1 0 0 0 0 59 18 1 0 0 0 0 60 17 1 0 0 0 0 61 23 1 0 0 0 0 62 22 1 0 0 0 0 63 24 1 0 0 0 0 64 12 2 0 0 0 0 65 14 2 0 0 0 0 66 14 2 0 0 0 0 67 13 2 0 0 0 0 68 13 2 0 0 0 0 69 12 2 0 0 0 0 70 18 2 0 0 0 0 71 18 2 0 0 0 0 72 17 2 0 0 0 0 73 17 2 0 0 0 0 74 22 2 0 0 0 0 75 24 2 0 0 0 0 76 23 2 0 0 0 0 77 23 2 0 0 0 0 78 24 2 0 0 0 0 79 22 2 0 0 0 0 80 49 1 0 0 0 0 81 48 1 0 0 0 0 82 48 2 0 0 0 0 83 49 2 0 0 0 0 27 84 1 6 0 0 0 26 85 1 1 0 0 0 28 86 1 1 0 0 0 29 87 1 1 0 0 0 30 88 1 1 0 0 0 42 89 1 6 0 0 0 39 90 1 6 0 0 0 101 90 1 0 0 0 0 11102 1 6 0 0 0 15103 1 1 0 0 0 16104 1 1 0 0 0 9105 1 6 0 0 0 15 33 1 0 0 0 0 6 4 1 0 0 0 0 9 20 1 0 0 0 0 42 30 1 0 0 0 0 10 39 1 0 0 0 0 M CHG 8 56 -1 57 -1 58 -1 59 -1 60 -1 61 -1 62 -1 63 -1 M CHG 8 80 -1 81 -1 91 1 92 1 93 1 94 1 95 1 96 1 M CHG 4 97 1 98 1 99 1 100 1 M END > DBSALT002741 > drugbank > [Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[H][C@@]1(O[C@@H]2[C@@H](COS([O-])(=O)=O)O[C@]([H])(O[C@H]3[C@H](O)[C@@H](OS([O-])(=O)=O)[C@]([H])(O[C@H]4[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OC)O[C@@H]4COS([O-])(=O)=O)O[C@H]3C([O-])=O)[C@H](NS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)O[C@@H]([C@@H](O[C@@]2([H])O[C@H](COS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@H]2NS([O-])(=O)=O)[C@H](O)[C@H]1O)C([O-])=O > InChI=1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-10/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1 > XEKSTYNIJLDDAZ-JASSWCPGSA-D > C31H43N3Na10O49S8 > 1728.03 > 1726.77077697 > 44 > 144 > 119.89825686872632 > 0 > 9 > 0 > 0 > decasodium (2R,3S,4S,5R,6R)-3-{[(2R,3R,4R,5R,6R)-5-{[(2R,3R,4R,5S,6S)-6-carboxy-5-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-3-(sulfoamino)-4-(sulfooxy)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-4-hydroxy-6-{[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-5-(sulfooxy)oxane-2-carboxylate > 0.72 > -10.479801889 > -2.00 > 1 > 5 > -10 > -2.570233228629042 > -2.9501637229060824 > 833.7800000000003 > 268.54700000000025 > 27 > 0 > 1.74e+01 g/l > decasodium (2R,3S,4S,5R,6R)-3-{[(2R,3R,4R,5R,6R)-5-{[(2R,3R,4R,5S,6S)-6-carboxy-5-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfoamino)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-3,4-dihydroxyoxan-2-yl]oxy}-3-(sulfoamino)-4-(sulfooxy)-6-[(sulfooxy)methyl]oxan-2-yl]oxy}-4-hydroxy-6-{[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfoamino)-2-[(sulfooxy)methyl]oxan-3-yl]oxy}-5-(sulfooxy)oxane-2-carboxylate > 0 > DBSALT002741 > Fondaparinux sodium > DB00569 > Fondaparinux > 114870-03-0 > X0Q6N9USOZ $$$$