Accord 08271317192D 161170 0 0 0 0 0 0 0 0999 V2000 24.3768 7.3207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7582 7.6768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1393 7.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7345 6.7019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0191 6.7019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3710 6.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3710 5.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7524 6.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0949 8.2602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4133 8.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1291 6.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5055 6.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8819 6.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2582 6.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6347 6.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5154 7.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8918 7.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2682 7.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6446 7.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0208 7.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3974 7.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7737 7.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1501 7.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6347 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1501 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4667 6.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7835 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1001 6.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4168 6.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7335 6.3137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9574 5.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2800 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6027 5.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9254 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2480 5.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5707 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8934 5.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2160 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4342 9.3685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6390 9.5959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8389 9.3863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4253 10.1025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2205 9.8753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8507 10.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7365 9.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2364 9.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9808 9.8459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0207 10.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2821 10.3784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4149 9.6282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6198 9.8556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8197 9.6460 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4061 10.3623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2013 10.1351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8315 10.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7172 9.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2172 9.8075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3968 10.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0015 10.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2628 10.6382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3902 9.0676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5950 9.2949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7950 9.0853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3814 9.8016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1766 9.5744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8068 9.7879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6925 8.9363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1925 9.2468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9368 9.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9768 9.7839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2381 10.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5806 8.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8569 8.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2204 8.7618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3710 9.3273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5758 9.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7757 9.3451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3622 10.0613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1574 9.8341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7876 10.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6733 9.1960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1733 9.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3529 10.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9575 10.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2189 10.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6531 10.8596 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8579 11.0869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0578 10.8773 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6442 11.5936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4394 11.3664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0697 11.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9554 10.7283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4553 11.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1997 11.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2396 11.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5010 11.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8434 10.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1197 10.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4832 10.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6339 11.1193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8387 11.3467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0386 11.1371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6250 11.8533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4202 11.6261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0504 11.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9362 10.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4361 11.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6157 12.3192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2204 11.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4818 12.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5009 10.9881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1417 10.3661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4470 10.5481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5824 10.3507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1155 10.9727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6541 10.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6649 10.5063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0837 10.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5824 9.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8103 10.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7397 11.3856 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9396 11.1765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3575 10.5888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6369 10.9948 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4371 11.2040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0101 11.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2060 10.9175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7568 10.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4494 11.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0192 11.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2339 11.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1985 10.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5371 10.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8885 10.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3463 8.7666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5461 8.5575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9641 7.9699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2435 8.3759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0437 8.5850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6167 8.5806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8126 8.2985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3634 7.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9915 7.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6258 9.1727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8405 9.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8051 8.0913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1436 8.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4950 7.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4257 7.7110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8570 8.3114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0616 8.5383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0702 9.3654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6390 8.7650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4294 9.1370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7584 7.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6252 8.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2994 9.7711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4344 8.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9481 9.1667 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 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 71 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 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 87 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 108113 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 109123 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 84137 1 0 0 0 0 151152 1 1 0 0 0 153152 1 1 0 0 0 154153 1 1 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 155160 1 0 0 0 0 151160 1 0 0 0 0 152157 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 156161 1 0 0 0 0 145151 1 0 0 0 0 M END > LMSP0505EI01 > > Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-6(Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C102H179N5O52 > 2306.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261796 > - > - > Active (generated by computational methods) > - $$$$