Accord 08271317192D 171181 0 0 0 0 0 0 0 0999 V2000 24.4115 7.1938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8273 7.5301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2429 7.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7493 6.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0737 6.6095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4617 6.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4617 5.5884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8775 6.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1453 8.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5016 8.0939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2889 6.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7000 6.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1111 6.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5222 6.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9334 6.2641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6537 7.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0648 7.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4759 7.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8870 7.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2980 7.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7093 7.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1203 7.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5314 7.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9334 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5314 6.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8861 6.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2409 6.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5956 6.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9503 6.6155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3051 6.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2938 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6541 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0145 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3749 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7353 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0956 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4560 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8164 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1767 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5371 5.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4657 9.1276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7147 9.3423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9592 9.1444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5687 9.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3196 9.6062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9704 9.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8068 9.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3903 9.2969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1489 9.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0752 9.8041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3777 10.0814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6145 9.3729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8636 9.5876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1081 9.3897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7175 10.0661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4684 9.8515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1192 10.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9557 9.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5391 9.5422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7087 10.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2241 10.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5266 10.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7582 8.8434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0073 9.0582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2517 8.8602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8612 9.5366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6121 9.3220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2629 9.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0993 8.7195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6828 9.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4414 9.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3677 9.5199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6702 9.7972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9936 8.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2545 8.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6535 8.5547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9071 9.0887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1561 9.3035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4006 9.1055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0100 9.7819 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7610 9.5673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4118 9.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2482 8.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8317 9.2580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0012 10.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5166 9.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8191 10.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0507 8.5593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2998 8.7740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5443 8.5760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1537 9.2524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9046 9.0379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5554 9.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3919 8.4353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9753 8.7285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7339 9.0101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6603 9.2357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9628 9.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2861 8.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5471 8.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9460 8.2705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1996 8.8046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4486 9.0193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6931 8.8213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3026 9.4977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0535 9.2832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7043 9.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5407 8.6806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1242 8.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2938 9.9377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8091 9.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1116 9.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4666 9.0560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8514 8.5747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5675 7.8471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7908 7.9287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4057 8.4102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0374 8.2462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1796 8.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1097 7.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4296 8.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6898 9.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0554 8.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2848 10.5357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7477 11.1027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9966 11.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0048 12.0980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5419 11.5310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3439 11.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6546 10.7644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5845 11.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5200 12.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2930 11.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8338 11.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4797 10.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6091 10.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1869 10.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9857 11.8976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4487 12.4646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6976 12.6788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7057 13.4598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2428 12.8929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0449 13.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3555 12.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2855 13.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9221 13.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9939 12.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5347 13.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9445 12.1262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6053 11.5389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9493 11.7108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1328 11.5244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6362 12.1118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2005 11.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0994 11.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6061 11.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1328 11.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2924 11.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8689 10.4088 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.1133 10.2114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5637 9.6564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8832 10.0398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6388 10.2374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2356 10.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3649 9.9668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9964 9.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6517 10.4140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1885 10.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4470 10.6759 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 111115 1 0 0 0 0 126127 1 1 0 0 0 128127 1 1 0 0 0 129128 1 1 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 130135 1 0 0 0 0 126135 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 137138 1 0 0 0 0 137139 2 0 0 0 0 89126 1 0 0 0 0 140141 1 1 0 0 0 142141 1 1 0 0 0 143142 1 1 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 144149 1 0 0 0 0 140149 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 145150 1 0 0 0 0 134140 1 0 0 0 0 151152 1 1 0 0 0 152153 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 152157 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 151160 1 0 0 0 0 146151 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 64161 1 0 0 0 0 M END > LMISSP0505ED02 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C108H190N4O57 > 2455.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261757 > - > - > Active (generated by computational methods) > - $$$$