Accord 08271317192D 177187 0 0 0 0 0 0 0 0999 V2000 24.4092 7.0870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8229 7.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2364 7.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 6.5007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0702 6.5007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9958 7.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4560 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4560 5.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8697 6.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1421 7.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4961 7.9904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2790 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6880 6.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0970 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5060 6.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9150 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3239 6.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7330 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1419 6.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5510 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9599 6.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3689 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7779 6.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1869 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5959 6.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0049 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4139 6.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8229 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2319 6.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6409 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0499 6.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6451 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0541 7.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4631 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8721 7.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2810 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6901 7.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0990 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5081 7.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9170 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3261 7.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7350 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1440 7.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5530 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9620 7.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4635 9.0286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7095 9.2441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9509 9.0454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5588 9.7245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3128 9.5091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9622 9.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8020 8.9041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3797 9.1985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1373 9.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0715 9.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3711 9.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6008 9.2748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8468 9.4904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0882 9.2917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6961 9.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4501 9.7554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0995 9.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9393 9.1504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5170 9.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6873 10.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2088 9.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5084 10.2324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7329 8.7432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9789 8.9588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2203 8.7601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8282 9.4392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5822 9.2238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2316 9.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0714 8.6188 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6491 8.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4067 9.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3409 9.4224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6405 9.7008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9652 8.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2272 8.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6237 8.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8650 8.2116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1110 8.4272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3524 8.2284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9603 8.9076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7143 8.6921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3637 8.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2035 8.0871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7812 8.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9515 9.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4730 8.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7726 9.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9971 7.6800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2431 7.8956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4845 7.6968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0924 8.3759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8464 8.1605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4958 8.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3356 7.5555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9133 7.8499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6709 8.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6050 8.3592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9047 8.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2294 7.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4914 7.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8879 7.3900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1292 7.1484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3752 7.3640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6166 7.1652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2245 7.8443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9785 7.6289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6279 7.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4677 7.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0454 7.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2157 8.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7371 7.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0368 8.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3851 7.4008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7675 6.9176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4824 6.1871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7025 6.2689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3200 6.7524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9501 6.5877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0970 6.7925 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0227 5.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4267 6.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 7.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9683 7.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 6.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 6.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9677 6.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0550 7.0239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0621 6.3430 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4072 6.1562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7969 5.5778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9317 6.3427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6148 6.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4214 6.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2861 5.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0259 5.1905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 6.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2361 9.6644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6969 10.2338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9428 10.4488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9510 11.2330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4903 10.6638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2915 11.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6034 9.8940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5290 10.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4642 11.2381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2444 10.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7833 11.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4278 9.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5577 9.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1338 9.9795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9278 11.0318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3885 11.6011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6344 11.8162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6426 12.6004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1819 12.0312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9831 12.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2950 11.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2206 12.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 12.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9360 11.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 12.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8823 11.2614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5418 10.6717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8831 10.8443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0633 10.6571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5688 11.2469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1312 11.1296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0378 10.8047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5386 10.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0633 10.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2276 11.0744 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 134135 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 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 133142 1 0 0 0 0 114133 1 0 0 0 0 143144 1 1 0 0 0 145144 1 1 0 0 0 146145 1 1 0 0 0 146147 1 0 0 0 0 147148 1 0 0 0 0 147152 1 0 0 0 0 143152 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 154155 1 0 0 0 0 154156 2 0 0 0 0 93143 1 0 0 0 0 157158 1 1 0 0 0 159158 1 1 0 0 0 160159 1 1 0 0 0 160161 1 0 0 0 0 161162 1 0 0 0 0 161166 1 0 0 0 0 157166 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 162167 1 0 0 0 0 151157 1 0 0 0 0 168169 1 1 0 0 0 169170 1 1 0 0 0 171170 1 1 0 0 0 171172 1 0 0 0 0 172173 1 0 0 0 0 172177 1 0 0 0 0 169174 1 0 0 0 0 170175 1 0 0 0 0 171176 1 0 0 0 0 168177 1 0 0 0 0 163168 1 0 0 0 0 M END > LMISSP0504BP04 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C114H201N5O56 > 2536.30 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260935 > - > - > Active (generated by computational methods) > - $$$$