Accord 08271317192D 165174 0 0 0 0 0 0 0 0999 V2000 24.4088 7.2021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8220 7.5399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2350 7.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 6.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0695 6.6152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4548 6.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4548 5.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8679 6.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1415 8.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4948 8.1063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2767 6.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6851 6.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0935 6.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5020 6.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9105 6.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6431 7.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0516 7.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4600 7.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8684 7.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2768 7.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6854 7.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0937 7.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5021 7.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9105 5.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5021 6.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8539 6.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2058 6.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5576 6.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9094 6.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2612 6.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2680 5.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6254 5.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9829 5.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3404 5.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6979 5.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0554 5.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4128 5.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7703 5.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1278 5.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4853 5.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8428 5.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2003 5.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4633 9.1447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7089 9.3604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9500 9.1615 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5577 9.8410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3120 9.6254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9612 9.8280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8014 9.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3785 9.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1360 9.5975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0710 9.8242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3704 10.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5992 9.3911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8449 9.6068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0859 9.4079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6936 10.0874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4480 9.8719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0972 10.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9374 9.2666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5144 9.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6848 10.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2070 10.0706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5063 10.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7300 8.8592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9757 9.0749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2167 8.8761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8244 9.5555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5787 9.3400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2279 9.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0681 8.7347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6452 9.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4027 9.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3377 9.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6371 9.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9619 8.5691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2240 8.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6202 8.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8659 9.1056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1116 9.3213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3527 9.1225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9603 9.8019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7147 9.5864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3639 9.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2041 8.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7812 9.2757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9515 10.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4737 9.7852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7731 10.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9967 8.5738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2424 8.7895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4834 8.5906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0911 9.2700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8454 9.0545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4946 9.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3348 8.4492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9119 8.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6694 9.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6045 9.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9038 9.5318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2287 8.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4908 8.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8870 8.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1326 8.8202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3783 9.0359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6194 8.8370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2271 9.5164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9814 9.3009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6306 9.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4708 8.6957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0479 8.9902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2182 9.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7404 9.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0398 9.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3873 9.0728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7694 8.5893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4841 7.8584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7039 7.9403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3216 8.4240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9516 8.2592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 8.4641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0243 7.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 8.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 9.1549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9698 8.7517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1705 8.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4764 8.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9697 8.0045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2363 10.5591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6968 11.1287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9424 11.3439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9505 12.1285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4901 11.5589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2912 11.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6033 10.7889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5284 11.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4636 12.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2446 11.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7833 11.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4276 10.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5575 10.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1334 10.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9268 11.9272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3874 12.4968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6329 12.7119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6411 13.4965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1806 12.9270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9818 13.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2938 12.1569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2189 13.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8584 13.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9351 12.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4738 13.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8809 12.1569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5402 11.5669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8812 11.7395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0611 11.5523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5668 12.1423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1290 12.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0365 11.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5365 11.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0611 11.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2259 11.9698 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 137142 1 0 0 0 0 142143 1 0 0 0 0 142144 2 0 0 0 0 91131 1 0 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 145154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 150155 1 0 0 0 0 139145 1 0 0 0 0 156157 1 1 0 0 0 157158 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 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 156165 1 0 0 0 0 151156 1 0 0 0 0 M END > LMISSP0505EF03 > > GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C106H187N5O52 > 2362.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261774 > - > - > Active (generated by computational methods) > - $$$$