Accord 08271317192D 167176 0 0 0 0 0 0 0 0999 V2000 24.4887 6.9080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9810 7.2002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4733 6.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7821 6.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1952 6.4003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 5.5131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1558 6.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2574 7.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6980 7.6901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6443 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1326 6.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6209 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1092 6.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5976 6.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9613 7.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4496 6.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9379 7.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4262 6.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9145 7.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4029 6.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8911 7.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3794 6.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5976 5.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3794 6.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8187 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2581 6.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6974 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1367 6.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5761 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0418 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4861 5.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9303 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3745 5.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8187 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2630 5.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7072 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1514 5.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5957 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0399 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4841 5.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9283 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3726 5.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8168 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2610 5.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7053 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1495 5.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5937 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8832 8.7749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2268 8.6029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8874 9.1906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5399 9.0041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2365 9.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9632 8.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7324 8.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5226 8.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1964 9.1761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5904 9.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0584 8.8014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4059 8.9880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7494 8.8160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4100 9.4037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0625 9.2173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7591 9.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4859 8.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2550 8.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4024 9.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7191 9.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1130 9.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5765 8.3414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9240 8.5279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2675 8.3559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9282 8.9436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5807 8.7572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2772 8.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0040 8.2337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7732 8.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5634 8.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2372 8.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6312 9.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9121 8.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1389 7.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6166 8.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0991 8.5545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4466 8.7411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7902 8.5691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4508 9.1568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1033 8.9704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7999 9.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5266 8.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2958 8.7016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4432 9.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7598 9.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1538 9.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6173 8.0945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9648 8.2810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3083 8.1090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9689 8.6967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6214 8.5103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3180 8.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0448 7.9867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8139 8.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6042 8.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2780 8.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6719 8.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9529 7.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1796 7.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6574 7.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1399 8.3076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4874 8.4942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8309 8.3222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4916 8.9099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1441 8.7234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8406 8.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5674 8.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3366 8.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4839 9.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8006 8.8954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1946 9.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6580 7.8475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0055 8.0341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3491 7.8621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0097 8.4498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6622 8.2634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3588 8.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0855 7.7398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8547 7.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6449 8.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3187 8.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7127 8.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9937 7.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2204 7.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6981 7.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1807 8.0607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5282 8.2472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8717 8.0752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5323 8.6629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1848 8.4765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8814 8.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 7.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3773 8.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 9.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8414 8.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 8.8894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 7.9232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2894 7.3339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7227 7.1723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1945 6.6717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3112 7.3337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0370 7.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6004 7.6515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6179 6.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3927 6.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8779 7.4954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2018 8.4170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2079 7.8277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6412 7.6661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1130 7.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2297 7.8275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9554 7.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5188 8.1453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5364 7.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3112 6.8304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7964 7.9892 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 2 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 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 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 94 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 106112 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 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 131137 1 0 0 0 0 148149 1 1 0 0 0 149150 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 148157 1 0 0 0 0 130148 1 0 0 0 0 158159 1 1 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 162167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 158167 1 0 0 0 0 80158 1 0 0 0 0 M END > LMSP0505CH08 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C110H194N4O51 > 2387.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261451 > - > - > Active (generated by computational methods) > - $$$$