Accord 08271317192D 155163 0 0 0 0 0 0 0 0999 V2000 24.4887 6.9080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9810 7.2002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4733 6.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7822 6.4003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1952 6.4003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 6.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 5.5132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1558 6.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2574 7.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6980 7.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6444 6.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1327 6.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6210 6.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1093 6.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5976 6.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9614 7.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4497 6.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9380 7.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4263 6.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9145 7.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4029 6.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8912 7.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3795 6.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5976 5.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3795 6.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8188 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2581 6.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6974 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1368 6.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5761 6.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0419 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4861 5.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9303 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3746 5.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8188 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2630 5.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7073 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1515 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5957 5.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0400 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4842 5.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9284 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3727 5.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8169 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2611 5.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7054 5.1685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8832 8.7749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2268 8.6029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8874 9.1906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5399 9.0042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2365 9.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9632 8.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7324 8.7354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5226 8.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1965 9.1761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5904 9.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0584 8.8015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4059 8.9880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7494 8.8160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4101 9.4037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0626 9.2173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7591 9.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4859 8.6938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2551 8.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4024 9.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7191 9.3892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1131 9.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5765 8.3414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9241 8.5280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2676 8.3560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9282 8.9437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5807 8.7573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2773 8.9325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0040 8.2337 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7732 8.4885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5635 8.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2373 8.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6312 9.1701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9122 8.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1389 7.9281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6166 8.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0992 8.5546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4467 8.7411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7902 8.5691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4509 9.1568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1034 8.9704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7999 9.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5267 8.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2959 8.7016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4432 9.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7599 9.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1539 9.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6173 8.0945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9649 8.2811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3084 8.1091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9690 8.6968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6215 8.5103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3181 8.6856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0449 7.9868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8140 8.2416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6043 8.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2781 8.6823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6720 8.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9530 7.8436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1797 7.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6574 7.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1400 8.3076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4875 8.4942 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8310 8.3222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4917 8.9099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1442 8.7235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8407 8.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5675 8.1999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3367 8.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4840 9.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 8.8954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1947 9.1363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6581 7.8476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0057 8.0341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3492 7.8621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0098 8.4498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6623 8.2634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3589 8.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0857 7.7399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8548 7.9946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6451 8.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3189 8.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7128 8.6763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9938 7.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2205 7.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6982 7.5967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1808 8.0607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5283 8.2473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8718 8.0753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5325 8.6630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1850 8.4766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8815 8.6518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6083 7.9530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3775 8.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 9.0453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8415 8.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2355 8.8894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2426 8.1701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2488 7.5809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6821 7.4192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1539 6.9187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2706 7.5807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9963 7.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5597 7.8984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5772 7.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3521 6.5835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8373 7.7424 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 2 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 129135 1 0 0 0 0 146147 1 1 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 146155 1 0 0 0 0 103146 1 0 0 0 0 M END > LMISSP0505BI07 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C102H180N4O47 > 2213.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261250 > - > - > Active (generated by computational methods) > - $$$$