Accord 08271317192D 150157 0 0 0 0 0 0 0 0999 V2000 24.4092 8.1895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8232 8.5268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2370 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 7.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0705 7.6034 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 8.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4565 7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4565 6.5793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8705 7.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1423 9.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4965 9.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2802 7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6894 7.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0987 7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5080 7.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9174 7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3266 7.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7359 7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1452 7.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5545 7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9638 7.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3731 7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3807 6.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9720 6.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9796 5.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3906 5.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7982 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2092 5.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6168 5.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0278 5.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4353 5.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8465 5.1983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2540 5.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6650 5.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0726 5.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6461 8.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0554 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4646 8.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8739 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2832 8.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6926 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1018 8.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5111 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9204 8.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3297 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7390 8.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1482 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5576 8.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9668 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 10.1308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7098 10.3464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9513 10.1476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5593 10.8266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3131 10.6112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9626 10.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8022 10.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3802 10.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1378 10.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0716 10.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3714 11.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6015 10.3771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8476 10.5926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0892 10.3939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6971 11.0729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4509 10.8575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1004 11.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9400 10.2526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5180 10.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6883 11.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2095 11.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5093 11.3345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7341 9.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9803 10.0611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2218 9.8624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8298 10.5413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5836 10.3260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2330 10.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0727 9.7211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6507 10.0154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4083 10.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3421 10.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6419 10.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9666 9.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2285 9.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6251 9.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8667 9.3140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1129 9.5296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3545 9.3308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9624 10.0098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7162 9.7945 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3657 9.9969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2053 9.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7833 9.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9536 10.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4748 9.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7746 10.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9994 8.7825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2455 8.9980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4871 8.7993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0950 9.4783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8489 9.2629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4983 9.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3380 8.6581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9160 8.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6736 9.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6074 9.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9072 9.7399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2318 8.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4938 8.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8904 8.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1320 8.2510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3782 8.4665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6197 8.2678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2277 8.9468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9815 8.7314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6310 8.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4706 8.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0486 8.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2188 9.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7400 8.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0398 9.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3884 8.5034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7709 8.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4859 7.2899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7062 7.3717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3235 7.8550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9537 7.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1004 7.8951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0263 6.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4305 7.5612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6087 8.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9719 8.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1718 7.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 7.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9711 7.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2382 10.7666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6991 11.3358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9451 11.5508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9532 12.3349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4924 11.7657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2937 12.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6056 10.9961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5314 11.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4666 12.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2464 11.5506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7855 12.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4300 10.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5599 10.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1360 11.0815 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 31 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 3 36 2 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 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 80 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 105112 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 143148 1 0 0 0 0 148149 1 0 0 0 0 148150 2 0 0 0 0 97137 1 0 0 0 0 M END > LMISSP0504BH06 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C100H179N5O43 > 2138.20 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260873 > - > - > Active (generated by computational methods) > - $$$$