Accord 08271317192D 172181 0 0 0 0 0 0 0 0999 V2000 24.5422 6.7073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0877 6.9689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6331 6.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8050 6.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2794 6.2528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3489 6.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3351 7.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8344 7.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8910 5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4329 6.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9748 5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5166 6.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0586 5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1748 6.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7167 6.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2586 6.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8004 6.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3422 6.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8843 6.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4261 6.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9679 6.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0586 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9679 6.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4660 5.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9640 6.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4620 5.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9600 6.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4581 5.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5610 5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0634 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5658 5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0683 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5707 5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0731 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5755 5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0780 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5804 5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0828 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5852 5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0876 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5901 5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0925 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5949 5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0973 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5997 5.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1022 5.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5843 8.2117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0002 8.3787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4124 8.2247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1086 8.7509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6928 8.5840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4211 8.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0718 8.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9698 8.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7820 8.5624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2806 8.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7380 8.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3664 8.4025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7822 8.5695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1945 8.4156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8906 8.9417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4748 8.7748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2032 8.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8538 8.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7519 8.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8838 9.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0626 8.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5200 9.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1444 7.9906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5602 8.1577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9725 8.0037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6687 8.5298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2528 8.3629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9812 8.5198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6318 7.8942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5299 8.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3421 8.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8406 8.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2980 8.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5496 7.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7526 7.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2850 7.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9264 8.1814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3422 8.3485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7545 8.1945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4507 8.7207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0348 8.5537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7632 8.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4139 8.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3119 8.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4438 9.0629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6227 8.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0801 8.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7044 7.7696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1203 7.9366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5325 7.7826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2287 8.3088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8129 8.1419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5412 8.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1919 7.6731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0899 7.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9021 8.1202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4007 8.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8581 8.5115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1096 7.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3126 7.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8450 7.5449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4864 7.9604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9023 8.1274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3145 7.9734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0107 8.4996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5949 8.3327 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3232 8.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9739 7.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8720 8.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0039 8.8418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1827 8.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6401 8.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2645 7.5485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6803 7.7155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0925 7.5615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7887 8.0877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3729 7.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1012 8.0777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7519 7.4521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 7.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4621 7.8992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9607 8.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4181 8.2904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6697 7.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8726 7.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4051 7.3238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0465 7.7393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4623 7.9063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8746 7.7524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5708 8.2785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1549 8.1116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8833 8.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5339 7.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 7.8710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5639 8.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7427 8.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2001 8.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9204 7.9349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4419 7.5605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2210 6.9945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6168 7.0579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0952 7.4325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8086 7.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6972 7.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8649 6.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3358 7.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3162 7.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8227 7.6863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2244 9.0860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8067 9.5271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2224 9.6937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2287 10.3013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6465 9.8603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4926 10.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7342 9.2639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9018 10.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8516 10.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2308 9.6936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8736 10.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 9.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6988 8.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3703 9.3301 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 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 150149 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 148157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 153158 1 0 0 0 0 144148 1 0 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 162161 1 1 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 163168 1 0 0 0 0 159168 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 170171 1 0 0 0 0 170172 2 0 0 0 0 122159 1 0 0 0 0 M END > LMSP0505BW06 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C112H199N5O53 > 2462.30 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261361 > - > - > Active (generated by computational methods) > - $$$$