Accord 08271317192D 157165 0 0 0 0 0 0 0 0999 V2000 24.4887 6.9083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9811 7.2005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4733 6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7822 6.4006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1952 6.4006 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 6.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 5.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1558 6.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2574 7.6791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6981 7.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6444 6.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1328 6.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6211 6.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1094 6.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5978 6.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9614 7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4497 6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9381 7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4264 6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9146 7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4031 6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8913 7.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 6.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5978 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 6.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8190 6.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2584 6.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6977 6.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1370 6.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5764 6.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0420 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4863 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9305 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3748 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8190 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2633 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7075 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1518 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5960 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0403 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4845 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9288 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3730 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8173 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2615 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7058 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1500 5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5943 5.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8833 8.7751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2268 8.6031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8875 9.1908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5400 9.0043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2365 9.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9633 8.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7325 8.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5227 8.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1965 9.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5904 9.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0585 8.8016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4060 8.9882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7496 8.8162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4102 9.4039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0627 9.2175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7593 9.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4860 8.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2552 8.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4026 9.7861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7192 9.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1132 9.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5767 8.3416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9242 8.5282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2678 8.3562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9285 8.9438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5809 8.7574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2775 8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0042 8.2339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7735 8.4887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5637 8.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2374 8.9293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6314 9.1703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9124 8.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1391 7.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6168 8.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0994 8.5547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4470 8.7413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7905 8.5693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4512 9.1570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1036 8.9706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8002 9.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5270 8.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2962 8.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4435 9.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7602 9.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1541 9.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6177 8.0947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9652 8.2812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3088 8.1093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9694 8.6969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6219 8.5105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3185 8.6857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0452 7.9870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8144 8.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6047 8.4864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2784 8.6824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6724 8.9233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9534 7.8438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1801 7.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6578 7.8438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1404 8.3078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4879 8.4944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8315 8.3224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4922 8.9101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1446 8.7236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8412 8.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5679 8.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3372 8.4549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4845 9.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8011 8.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1951 9.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6586 7.8478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0062 8.0343 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3497 7.8623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0104 8.4500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6628 8.2636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3594 8.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0862 7.7401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8554 7.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6456 8.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3194 8.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7133 8.6764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9943 7.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2210 7.4344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6988 7.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1814 8.0609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5289 8.2475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8724 8.0755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5331 8.6632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1856 8.4767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8822 8.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6089 7.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3781 8.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5255 9.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8421 8.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2361 8.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2840 7.9234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2901 7.3342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7235 7.1725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1953 6.6720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3120 7.3340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0377 7.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6011 7.6517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6186 6.7641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3935 6.3369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8787 7.4957 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 M END > LMISSP0505BD08 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C104H184N4O47 > 2241.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261211 > - > - > Active (generated by computational methods) > - $$$$