Accord 08271317192D 157165 0 0 0 0 0 0 0 0999 V2000 24.4093 6.8031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8231 7.1407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2368 6.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.2170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0704 6.2170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9958 7.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4563 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4563 5.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8702 6.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1423 7.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4964 7.7063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2796 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6887 6.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0979 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5070 6.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9162 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3253 6.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7344 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1435 6.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5527 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9618 6.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3709 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7801 6.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1891 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5983 6.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0074 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4166 6.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8257 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2348 6.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6439 5.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0531 6.2091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6457 7.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0548 6.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4639 7.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8730 6.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2821 7.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6913 6.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1004 7.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5096 6.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9187 7.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3278 6.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7369 7.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1460 6.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5552 7.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9643 6.8031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 8.7443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7098 8.9598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9514 8.7611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5594 9.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3132 9.2247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9626 9.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8023 8.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3803 8.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1380 9.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0717 9.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3715 9.7016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6016 8.9905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8478 9.2060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0894 9.0073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6973 9.6863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4511 9.4709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1006 9.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9402 8.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5183 9.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6885 10.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2096 9.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5095 9.9479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7343 8.4590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9805 8.6745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2221 8.4758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8301 9.1548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5839 8.9394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2334 9.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0730 8.3346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6510 8.6289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4087 8.9115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3424 9.1380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6422 9.4164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9669 8.1691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2288 7.9815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6254 8.1691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8671 7.9275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1133 8.1430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3549 7.9443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9628 8.6233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7166 8.4079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3661 8.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2057 7.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7838 8.0974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9540 9.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4751 8.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7750 8.8849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9999 7.3960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2461 7.6115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4876 7.4128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0956 8.0918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8494 7.8764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4989 8.0788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3385 7.2716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9165 7.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6742 7.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6079 8.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9077 8.3534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2324 7.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4943 6.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 7.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1326 6.8645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3788 7.0800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6204 6.8813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2284 7.5603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9822 7.3449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6316 7.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4712 6.7401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0493 7.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2195 8.0019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7407 7.5435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0405 7.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3892 7.1169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7717 6.6338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4867 5.9034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7070 5.9853 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3243 6.4686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9545 6.3040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1011 6.5087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0271 5.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4313 6.1747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6094 7.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9727 6.7961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1725 6.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4783 6.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9719 6.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2386 9.3800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6995 9.9492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9456 10.1642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9537 10.9482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4929 10.3791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2942 10.7318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6060 9.6095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5319 10.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4671 10.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2469 10.1640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7859 10.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4304 9.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5603 9.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1365 9.6949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7480 9.8853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9942 10.1008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2358 9.9021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8437 10.5811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5975 10.3657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2470 10.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0866 9.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 10.0552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8349 11.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3560 10.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6559 10.8427 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 16 17 1 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 24 25 1 0 0 0 0 25 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 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 101108 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 115119 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 93133 1 0 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 150149 1 1 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 151156 1 0 0 0 0 147156 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 152157 1 0 0 0 0 140147 1 0 0 0 0 M END > LMSP0504BI04 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C102H181N5O48 > 2244.19 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260879 > - > - > Active (generated by computational methods) > - $$$$