Accord 08271317192D 178188 0 0 0 0 0 0 0 0999 V2000 24.4168 7.1747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8379 7.5080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2587 7.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7515 6.5957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0821 6.5957 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4756 6.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4756 5.5838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8966 6.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1530 8.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5151 8.0667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3134 6.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7298 6.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1462 6.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5626 6.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9790 6.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6749 7.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0913 7.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5077 7.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9241 7.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3404 7.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7570 7.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1733 7.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5897 7.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9790 5.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5897 6.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9502 6.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3108 6.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6713 6.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0318 6.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3924 6.2324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3452 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7113 5.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0774 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4436 5.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8097 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1759 5.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5420 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9081 5.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2743 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6404 5.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0065 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3727 5.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7388 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1050 5.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4711 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8372 5.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2034 5.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5695 5.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4705 9.0911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7263 9.3039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9776 9.1077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5906 9.7780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3347 9.5654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9887 9.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8176 8.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4138 9.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1745 9.5379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0835 9.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3923 10.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6450 9.3342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9009 9.5470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1521 9.3508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7651 10.0211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5093 9.8085 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1632 10.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9921 9.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5883 9.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7564 10.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2581 10.0046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5669 10.2793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8144 8.8095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0703 9.0223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3216 8.8261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9345 9.4964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6787 9.2838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3326 9.4836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1615 8.6867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7577 8.9772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5185 9.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4275 9.4799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7363 9.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0568 8.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3153 8.3381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7197 8.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9890 9.0526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2448 9.2654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4961 9.0692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1091 9.7395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8532 9.5269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5072 9.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3361 8.9298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9323 9.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1003 10.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6020 9.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9108 9.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1584 8.5279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4142 8.7407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6655 8.5445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2785 9.2148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0226 9.0022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6766 9.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5055 8.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1017 8.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8624 8.9746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7714 9.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0802 9.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4007 8.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6593 8.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0636 8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3329 8.7710 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5888 8.9838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8400 8.7876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4530 9.4579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1972 9.2453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8511 9.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6800 8.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2762 8.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4443 9.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9460 9.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2548 9.7161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2727 8.6481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9366 8.0661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2864 8.2364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4773 8.0517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9762 8.6338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5444 8.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4262 8.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9464 7.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4773 7.6076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6265 8.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6245 9.0202 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8757 8.8245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3311 8.2745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6567 8.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4055 8.8502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0060 8.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1251 8.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7689 8.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4273 9.0253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9503 9.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2154 9.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3813 10.4865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8491 11.0484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1048 11.2607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1129 12.0347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6451 11.4729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4490 11.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7568 10.7131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6964 11.6778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6325 12.0398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3895 11.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9344 11.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5835 10.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7117 10.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2933 10.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1030 11.8361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5708 12.3980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8264 12.6103 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8345 13.3843 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3668 12.8225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1706 13.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4785 12.0627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4181 13.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0489 13.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1111 12.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6561 13.1984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0712 12.0627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7350 11.4807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0849 11.6510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2758 11.4663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7747 12.0484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3428 11.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2246 11.6119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7449 11.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2758 11.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4249 11.8781 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 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 124125 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 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 118123 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 119133 1 0 0 0 0 144145 1 1 0 0 0 146145 1 1 0 0 0 147146 1 1 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 148153 1 0 0 0 0 144153 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 155156 1 0 0 0 0 155157 2 0 0 0 0 97144 1 0 0 0 0 158159 1 1 0 0 0 160159 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 158167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 163168 1 0 0 0 0 152158 1 0 0 0 0 169170 1 1 0 0 0 170171 1 1 0 0 0 172171 1 1 0 0 0 172173 1 0 0 0 0 173174 1 0 0 0 0 173178 1 0 0 0 0 170175 1 0 0 0 0 171176 1 0 0 0 0 172177 1 0 0 0 0 169178 1 0 0 0 0 164169 1 0 0 0 0 M END > LMISSP0505EB06 > > Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C116H206N4O56 > 2551.34 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261745 > - > - > Active (generated by computational methods) > - $$$$