Accord 08271317192D 171181 0 0 0 0 0 0 0 0999 V2000 24.4093 7.0868 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8226 7.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2358 7.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7483 6.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0701 6.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4556 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4556 5.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8690 6.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1420 7.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4956 7.9907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2780 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6866 6.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0953 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5040 6.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9127 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3214 6.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7300 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1387 6.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5474 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9561 6.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3647 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7734 6.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1821 6.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5908 6.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6442 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0529 7.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4616 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8702 7.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2789 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6876 7.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0963 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5049 7.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9136 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3223 7.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7310 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1397 7.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5484 7.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9571 7.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4635 9.0283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7095 9.2439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9508 9.0451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5587 9.7243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3127 9.5089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9621 9.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8019 8.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3796 9.1983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1372 9.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0714 9.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3711 9.9859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6006 9.2746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8466 9.4902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0880 9.2915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6958 9.9706 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4499 9.7552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0992 9.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9391 9.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5167 9.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6870 10.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2086 9.9538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5082 10.2323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7326 8.7430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9786 8.9586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2200 8.7598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8278 9.4390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5818 9.2235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2312 9.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0710 8.6185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6487 8.9129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4063 9.1956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3405 9.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6402 9.7006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9649 8.4530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2269 8.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6233 8.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8646 8.2113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1105 8.4269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3519 8.2282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9598 8.9073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7138 8.6919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3631 8.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2030 8.0869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7806 8.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9509 9.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4725 8.8906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7721 9.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9965 7.6797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2425 7.8953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4839 7.6965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0917 8.3757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8457 8.1602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4951 8.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3349 7.5552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9126 7.8496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6702 8.1323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 8.3589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9041 8.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2288 7.3897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4908 7.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8872 7.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1285 7.1480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3745 7.3636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6158 7.1649 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2237 7.8440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9777 7.6286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6270 7.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4669 7.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0446 7.3180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2148 8.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7364 7.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 8.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3842 7.4005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7666 6.9172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4815 6.1867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7016 6.2686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3190 6.7520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9492 6.5873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0961 6.7921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 5.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4258 6.4581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6043 7.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9673 7.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1676 6.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4734 6.7106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9668 6.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0542 7.0236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0613 6.3426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4064 6.1558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7960 5.5774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9309 6.3424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6139 6.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4206 6.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2852 5.6838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0251 5.1901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5858 6.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2356 9.6642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6964 10.2336 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9422 10.4487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9504 11.2329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4897 10.6636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2909 11.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6029 9.8938 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5284 10.8713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4636 11.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2439 10.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7828 11.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4272 9.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5571 9.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1332 9.9793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9271 11.0317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3879 11.6010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6337 11.8161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6419 12.6003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1812 12.0311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9824 12.3838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2944 11.2613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2199 12.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8591 12.9851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9354 11.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 12.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8816 11.2613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5411 10.6715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8823 10.8441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0625 10.6569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5680 11.2468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1305 11.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0372 10.8045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5378 10.4996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 10.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2269 11.0742 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 3 26 2 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 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 70 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 95102 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 128129 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 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 127136 1 0 0 0 0 108127 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 87137 1 0 0 0 0 151152 1 1 0 0 0 153152 1 1 0 0 0 154153 1 1 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 155160 1 0 0 0 0 151160 1 0 0 0 0 152157 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 156161 1 0 0 0 0 145151 1 0 0 0 0 162163 1 1 0 0 0 163164 1 1 0 0 0 165164 1 1 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 166171 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 162171 1 0 0 0 0 157162 1 0 0 0 0 M END > LMISSP0504BP01 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C108H189N5O56 > 2452.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260932 > - > - > Active (generated by computational methods) > - $$$$