Accord 08271317192D 165174 0 0 0 0 0 0 0 0999 V2000 24.4087 7.2005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8217 7.5384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2345 7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 6.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0693 6.6134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4544 6.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4544 5.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8674 6.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1413 8.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4945 8.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2760 6.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6843 6.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0926 6.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5009 6.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9093 6.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6426 7.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0509 7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4592 7.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8675 7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2757 7.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6841 7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0923 7.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5006 7.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9093 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5006 6.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8523 6.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2040 6.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5556 6.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9072 6.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2589 6.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2666 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6239 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9813 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3386 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6959 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0533 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4106 5.1890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7679 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4631 9.1436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7086 9.3593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9495 9.1604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5571 9.8400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3116 9.6244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9607 9.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8011 9.0190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3779 9.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1353 9.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0708 9.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3700 10.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5984 9.3900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8439 9.6058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0848 9.4069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6924 10.0865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4469 9.8709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0960 10.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9364 9.2655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5132 9.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6835 10.5285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2061 10.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5053 10.3483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7285 8.8580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9740 9.0738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2149 8.8749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8225 9.5545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5770 9.3389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2261 9.5415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0665 8.7335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6432 9.0281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4007 9.3110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3362 9.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6354 9.8163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9603 8.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2224 8.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6185 8.5679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8638 9.1045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1093 9.3202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3502 9.1214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9577 9.8009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7122 9.5854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3614 9.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2018 8.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7785 9.2746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9489 10.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4715 9.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7706 10.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9939 8.5725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2394 8.7882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4802 8.5894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0878 9.2689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8423 9.0534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4915 9.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3319 8.4480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9086 8.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6660 9.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6015 9.2522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9007 9.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2257 8.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4878 8.0945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8839 8.2824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 8.8190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3746 9.0347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6155 8.8358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2231 9.5154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9776 9.2998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6268 9.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4672 8.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0439 8.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2143 9.9575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7368 9.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 9.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3831 9.0716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7651 8.5880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4798 7.8570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6993 7.9389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3172 8.4227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9471 8.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 8.4628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0198 7.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4234 8.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6027 9.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9653 8.7505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1663 8.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4723 8.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9654 8.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2338 10.5583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6942 11.1281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9395 11.3433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9477 12.1280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4874 11.5584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2885 11.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6006 10.7881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5255 11.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4606 12.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2420 11.3431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7807 11.9396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4248 10.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5549 10.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1306 10.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9238 11.9267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3842 12.4964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6295 12.7117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6377 13.4964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1774 12.9267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9785 13.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2906 12.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2155 13.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8551 13.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9320 12.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4707 13.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5547 13.2171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8002 13.4329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0411 13.2340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6487 13.9136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4032 13.6980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0523 13.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8927 13.0926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4694 13.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6398 14.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1624 13.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4616 14.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7865 12.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0486 12.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4447 12.9270 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 138139 1 0 0 0 0 138140 2 0 0 0 0 87127 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 135141 1 0 0 0 0 152153 1 1 0 0 0 154153 1 1 0 0 0 155154 1 1 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 156161 1 0 0 0 0 152161 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 163164 1 0 0 0 0 163165 2 0 0 0 0 148152 1 0 0 0 0 M END > LMISSP0505EH01 > > GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C104H182N6O53 > 2363.17 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261788 > - > - > Active (generated by computational methods) > - $$$$