Accord 08271317182D 150158 0 0 0 0 0 0 0 0999 V2000 24.4433 9.5391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8908 9.8573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3382 9.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7626 8.9867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1239 8.9867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 9.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5452 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5452 8.0213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9928 8.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1916 10.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5829 10.3904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4362 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8792 8.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3224 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7655 8.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2087 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6518 8.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0949 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5380 8.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9812 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4243 8.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8674 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3105 8.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7537 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1968 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6398 8.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0830 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5261 8.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9693 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7812 9.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2242 9.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6673 9.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1104 9.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5535 9.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9967 9.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4398 9.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8830 9.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3260 9.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7692 9.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2123 9.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6554 9.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0986 9.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5417 9.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4945 11.3686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7840 11.5717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0692 11.3845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6998 12.0244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4102 11.8214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0798 12.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8711 11.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5310 11.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3026 11.7951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1251 12.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4652 12.2709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7971 11.6007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0866 11.8039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3719 11.6166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0024 12.2564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7128 12.0535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3825 12.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1738 11.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8337 11.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9940 12.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4277 12.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7678 12.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6052 13.2170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.8948 13.4202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1801 13.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8106 13.8728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5209 13.6699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1906 13.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9819 13.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6418 13.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8023 14.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2358 13.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5760 14.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0196 13.4550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4377 12.9996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1691 12.3112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4342 12.3884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0160 12.8439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6675 12.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7481 12.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7359 11.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0926 12.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2847 13.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6846 13.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1138 12.0384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5319 11.5830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2632 10.8947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5284 10.9718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1102 11.4274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7617 11.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8423 11.4652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8301 10.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1868 11.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3789 12.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7788 11.7360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2080 10.6218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6261 10.1665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3574 9.4781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6226 9.5552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2043 10.0108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8558 9.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9365 10.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9243 9.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2809 9.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4731 10.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8730 10.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3021 9.2053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7202 8.7499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4516 8.0615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7168 8.1387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2985 8.5942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9500 8.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0307 8.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0184 7.7109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3751 8.3767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5673 9.2825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9671 8.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3963 7.7887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8144 7.3333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5457 6.6450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8109 6.7221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3927 7.1776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0442 7.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1249 7.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1126 6.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4693 6.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6615 7.8659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0613 7.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3738 5.6332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6634 5.8364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9486 5.6491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5791 6.2890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2896 6.0861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9593 6.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7505 5.5160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4104 5.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5708 6.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0044 6.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3446 6.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6505 5.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8974 5.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3287 5.3601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9693 8.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5056 7.9225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5056 7.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0028 7.1099 0.0000 C 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 16 17 1 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 24 25 2 0 0 0 0 25 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 3 30 2 0 0 0 0 30 31 1 0 0 0 0 31 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 74 78 1 0 0 0 0 89 90 1 1 0 0 0 91 90 1 1 0 0 0 92 91 1 1 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 98 1 0 0 0 0 89 98 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 94 99 1 0 0 0 0 85 89 1 0 0 0 0 100101 1 1 0 0 0 102101 1 1 0 0 0 103102 1 1 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 104109 1 0 0 0 0 100109 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 105110 1 0 0 0 0 96100 1 0 0 0 0 111112 1 1 0 0 0 113112 1 1 0 0 0 114113 1 1 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 115120 1 0 0 0 0 111120 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 116121 1 0 0 0 0 107111 1 0 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 125124 1 1 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 126131 1 0 0 0 0 122131 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 127132 1 0 0 0 0 118122 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 129133 1 0 0 0 0 29147 1 0 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 M END > LMISSP0502AZ07 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C98H174N2O48 > 2147.12 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260370 > - > - > Active (generated by computational methods) > - $$$$