Accord 08271317182D 152160 0 0 0 0 0 0 0 0999 V2000 24.4433 9.5395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8911 9.8574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3388 9.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7625 8.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1241 8.9873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 9.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5456 8.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5456 8.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9934 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1918 10.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5833 10.3903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4372 8.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8805 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3240 8.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7673 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2108 8.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6542 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0975 8.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5410 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9844 8.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4278 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8712 8.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3147 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7580 8.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2014 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6449 8.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0883 8.9799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5316 8.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7819 9.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2253 9.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6687 9.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1122 9.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5555 9.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9990 9.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4424 9.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8858 9.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3291 9.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7726 9.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2160 9.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6593 9.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1028 9.8573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5462 9.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4946 11.3688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7841 11.5719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0694 11.3848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.7000 12.0245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4104 11.8216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0800 12.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8712 11.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5313 11.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3028 11.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1252 12.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4653 12.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7974 11.6009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0871 11.8040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3723 11.6168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0029 12.2566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7132 12.0536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3829 12.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1742 11.4837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8341 11.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9946 12.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4280 12.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7682 12.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6058 13.2171 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.8953 13.4202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1806 13.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8112 13.8728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5215 13.6699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1912 13.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9824 13.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6424 13.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8029 14.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2364 13.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5765 14.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0203 13.4550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4384 12.9997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1698 12.3114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4351 12.3886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0168 12.8441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6683 12.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7488 12.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7368 11.9608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0934 12.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2856 13.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6854 13.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1146 12.0385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5327 11.5833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2642 10.8949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5294 10.9721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1111 11.4276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7626 11.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8432 11.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8311 10.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1878 11.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3799 12.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7798 11.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2090 10.6221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6271 10.1668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3585 9.4785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6237 9.5557 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2055 10.0111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8570 9.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9375 10.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9255 9.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2821 9.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4742 10.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8741 10.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3033 9.2056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7214 8.7503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4528 8.0620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7181 8.1392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2998 8.5947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9513 8.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0318 8.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0198 7.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3764 8.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5686 9.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9685 8.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3977 7.7892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8158 7.3339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5472 6.6456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8124 6.7228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3941 7.1782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0457 7.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1262 7.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1141 6.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4708 6.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6629 7.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0628 7.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3754 5.6339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6650 5.8371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9503 5.6499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5808 6.2897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2912 6.0867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9608 6.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7521 5.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4121 5.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5725 6.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 6.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3462 6.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6521 5.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8989 5.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3303 5.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5316 8.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0349 7.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0349 7.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4232 6.8494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8986 7.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3710 6.8476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8168 7.1676 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 1 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 3 29 2 0 0 0 0 29 30 1 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 6 43 1 0 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 44 53 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 49 54 1 0 0 0 0 43 44 1 0 0 0 0 55 56 1 1 0 0 0 57 56 1 1 0 0 0 58 57 1 1 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 55 64 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 60 65 1 0 0 0 0 52 55 1 0 0 0 0 66 67 1 1 0 0 0 68 67 1 1 0 0 0 69 68 1 1 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 75 1 0 0 0 0 66 75 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 71 76 1 0 0 0 0 63 66 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 73 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 84 88 1 0 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 99108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 104109 1 0 0 0 0 95 99 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 106110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 117121 1 0 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 135134 1 1 0 0 0 135136 1 0 0 0 0 136137 1 0 0 0 0 136141 1 0 0 0 0 132141 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 143144 1 0 0 0 0 143145 2 0 0 0 0 128132 1 0 0 0 0 28146 1 0 0 0 0 146147 1 0 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 M END > LMISSP0502AZ06 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C100H180N2O48 > 2177.17 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260369 > - > - > Active (generated by computational methods) > - $$$$