Accord 08271317192D 171180 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 6.5792 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 19.9173 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 17.5544 7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9637 7.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3730 7.2570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3806 6.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9720 6.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9796 5.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3905 5.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7982 5.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2091 5.2103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6167 5.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0278 5.2042 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 12.8464 5.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2539 5.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6649 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0725 5.5276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6461 8.5267 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 8.5267 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 20.2831 8.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6925 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1018 8.5267 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 8.5267 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 16.7389 8.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1481 8.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5575 8.5267 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 10.3463 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 22.9625 10.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8022 10.0063 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 10.5833 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 21.6014 10.3770 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 20.0891 10.3939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6971 11.0728 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 10.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6882 11.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2094 11.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5093 11.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7340 9.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9802 10.0611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2218 9.8623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8297 10.5413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5835 10.3259 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 18.0726 9.7211 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6506 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 17.9665 9.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2284 9.3680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6250 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 15.1128 9.5295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3544 9.3308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9623 10.0098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7162 9.7944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3656 9.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2053 9.1895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7832 9.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9535 10.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4747 9.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7745 10.2714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9993 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 11.4870 8.7993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0949 9.4783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8488 9.2629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4982 9.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3379 8.6580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9159 8.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6735 9.2350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6073 9.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9071 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 12.4937 8.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8903 8.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1319 8.2509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3781 8.4665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6196 8.2678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2276 8.9468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9814 8.7314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6308 8.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4705 8.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0485 8.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2187 9.3884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7399 8.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0397 9.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3883 8.5034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7708 8.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4858 7.2898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7060 7.3717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3234 7.8550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9536 7.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1002 7.8951 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0262 6.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4303 7.5611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6086 8.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9717 8.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1717 7.7120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4774 7.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9710 7.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0579 8.1265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0650 7.4457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4103 7.2589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8000 6.6806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9349 7.4454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6180 7.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4242 7.8126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 6.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0290 6.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5896 7.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2381 10.7665 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6990 11.3358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9450 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 13.2936 12.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6055 10.9961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5313 11.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4665 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 13.7854 12.1465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4299 10.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5598 10.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1359 11.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7474 11.2719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9935 11.4874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2351 11.2887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8430 11.9677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5968 11.7523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2463 11.9548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0859 11.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6639 11.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8342 12.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3554 11.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6552 12.2293 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 138139 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 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 137146 1 0 0 0 0 118137 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 153158 1 0 0 0 0 158159 1 0 0 0 0 158160 2 0 0 0 0 97147 1 0 0 0 0 161162 1 1 0 0 0 163162 1 1 0 0 0 164163 1 1 0 0 0 164165 1 0 0 0 0 165166 1 0 0 0 0 165170 1 0 0 0 0 161170 1 0 0 0 0 162167 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 166171 1 0 0 0 0 154161 1 0 0 0 0 M END > LMISSP0504BG06 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C112H199N5O52 > 2446.31 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260865 > - > - > Active (generated by computational methods) > - $$$$