Accord 08271317192D 166175 0 0 0 0 0 0 0 0999 V2000 24.5902 6.5279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1834 6.7621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7764 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8254 6.1210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3550 6.1210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9972 6.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9288 5.4100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5220 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4049 7.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9566 7.1547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1121 5.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7021 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2920 5.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8819 6.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4719 5.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3662 6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9561 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5460 6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1359 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7258 6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3158 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9057 6.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4956 6.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4719 5.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4956 6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0462 5.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5969 6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1476 5.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6982 6.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2489 5.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0265 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5811 5.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1356 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6902 5.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2448 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7994 5.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3540 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9086 5.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4632 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0178 5.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5724 5.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1270 5.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.0176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6279 7.8745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1050 8.0240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5789 7.8862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3069 8.3572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8298 8.2078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5867 8.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1691 7.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1827 7.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0146 8.1884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3560 8.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8703 8.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6425 8.0453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1196 8.1948 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5935 8.0570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3215 8.5280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8444 8.3786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6013 8.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1837 7.9590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1973 8.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3154 8.8344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3706 8.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8849 8.7094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6535 7.6766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1306 7.8261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6045 7.6883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3325 8.1593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8554 8.0099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6123 8.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1947 7.5903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2083 7.7945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0402 7.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3816 8.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8959 8.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1211 7.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3028 7.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8842 7.4755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6681 7.8474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1452 7.9970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6191 7.8591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3471 8.3301 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8700 8.1807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6269 8.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2093 7.7611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2229 7.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3410 8.6365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3962 8.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9105 8.5116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6791 7.4787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1562 7.6283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6301 7.4904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3581 7.9614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8810 7.8120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6379 7.9524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2203 7.3924 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2339 7.5966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0658 7.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4072 7.9498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9215 8.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1467 7.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3284 7.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9098 7.2776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6937 7.6495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1708 7.7991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6447 7.6612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3727 8.1322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8956 7.9828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6525 8.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2349 7.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2485 7.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3666 8.4386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4218 8.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9361 8.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7047 7.2808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1818 7.4304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6557 7.2925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3837 7.7635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9066 7.6141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6635 7.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2459 7.1945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2595 7.3987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0914 7.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4328 7.7519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9471 7.9450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1723 7.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3540 6.9496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9354 7.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7193 7.4517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1964 7.6012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6703 7.4633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3983 7.9343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9212 7.7849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6781 7.9253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2605 7.3653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 7.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3922 8.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4474 7.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9617 8.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7303 7.0830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2074 7.2325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6813 7.0946 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4093 7.5656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9322 7.4162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6891 7.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2715 6.9966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2851 7.2008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1170 7.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4584 7.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9727 7.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1979 6.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3796 6.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9610 6.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7449 7.2538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2220 7.4033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6959 7.2655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4239 7.7364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9468 7.5870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7037 7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2861 7.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2997 7.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4178 8.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 7.7248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 7.9179 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 125131 1 0 0 0 0 142143 1 1 0 0 0 144143 1 1 0 0 0 145144 1 1 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146151 1 0 0 0 0 142151 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 153154 1 0 0 0 0 153155 2 0 0 0 0 138142 1 0 0 0 0 156157 1 1 0 0 0 158157 1 1 0 0 0 159158 1 1 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 160165 1 0 0 0 0 156165 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 161166 1 0 0 0 0 150156 1 0 0 0 0 M END > LMISSP0505EN03 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C106H187N5O53 > 2378.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261830 > - > - > Active (generated by computational methods) > - $$$$