Accord 08271317192D 150157 0 0 0 0 0 0 0 0999 V2000 24.2901 7.6452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5854 8.0509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8804 7.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6976 6.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8827 6.9404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1444 6.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1444 5.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4397 6.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9690 8.7155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1925 8.7310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7297 6.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0193 6.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3089 6.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5985 6.9310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8882 6.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1698 8.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4594 7.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7490 8.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0386 7.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3281 8.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6179 7.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9074 8.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 7.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8882 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 6.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4186 6.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6403 6.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8619 6.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0835 6.9476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3052 6.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3451 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5735 5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8020 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0304 5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2588 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4873 5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7157 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1726 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4010 5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6294 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8578 5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0863 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3147 5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7716 5.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3555 9.9780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4496 10.2370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5382 9.9982 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0671 10.8141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9730 10.5553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5517 10.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5607 9.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8519 10.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5607 10.5218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8844 10.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0431 11.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9162 10.2739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0103 10.5329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0990 10.2941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6278 11.1100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5337 10.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1124 11.0944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1214 10.1243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4127 10.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6172 11.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4452 11.0899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6038 11.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6194 10.5772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8774 9.9966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5349 9.1190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5979 9.2173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3397 9.7981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8954 9.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2732 9.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9826 8.6718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1623 9.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6824 10.6758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9172 10.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0406 7.8290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1348 8.0880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2234 7.8492 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7523 8.6651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6581 8.4063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2369 8.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2458 7.6794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5371 8.0331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7417 9.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5696 8.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7282 8.9794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1183 7.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4330 7.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7080 7.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7438 8.1323 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0018 7.5517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6593 6.6741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7223 6.7724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4641 7.3532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0198 7.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3976 7.4014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1071 6.2269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3910 7.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8068 8.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0416 7.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4835 7.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8509 7.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2424 6.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9592 12.0193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3114 12.7033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4054 12.9617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4152 13.9039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0631 13.2199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8243 13.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1991 12.2952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9083 13.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8305 13.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9692 12.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4152 13.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9881 12.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1441 11.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6348 12.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1859 13.6621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5381 14.3461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6321 14.6045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6419 15.5466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2898 14.8627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0510 15.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4257 13.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1350 15.1122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9029 16.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1958 14.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6419 15.3204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 15.7609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6105 16.4449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7045 16.7034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7143 17.6455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3622 16.9616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1234 17.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4982 16.0368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2074 17.2111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9096 17.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2682 16.7031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7143 17.4192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2871 15.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4432 15.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9339 16.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 69 73 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 2 0 0 0 0 80 84 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 91 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 123124 1 0 0 0 0 123125 2 0 0 0 0 72112 1 0 0 0 0 126127 1 1 0 0 0 128127 1 1 0 0 0 129128 1 1 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 130135 1 0 0 0 0 126135 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 131136 1 0 0 0 0 120126 1 0 0 0 0 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 148149 1 0 0 0 0 148150 2 0 0 0 0 134137 1 0 0 0 0 M END > LMISSP0506AH06 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GalNAcbeta1-4Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C100H179N5O43 > 2138.20 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261873 > - > - > Active (generated by computational methods) > - $$$$