Accord 08271317192D 165174 0 0 0 0 0 0 0 0999 V2000 24.4886 6.9079 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9810 7.2001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4732 6.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7821 6.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1952 6.4002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 6.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6634 5.5130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1557 6.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2574 7.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6980 7.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6443 6.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1326 6.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6209 6.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1092 6.3934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5975 6.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9613 7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4496 6.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9379 7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4262 6.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9144 7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4028 6.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8911 7.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3793 6.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5975 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3793 6.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8186 6.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2580 6.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6973 6.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1366 6.4054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5759 6.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0418 5.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4860 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9302 5.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3744 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8186 5.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2629 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7071 5.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1513 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5955 5.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0397 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4840 5.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9282 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3724 5.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8166 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2608 5.1683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7051 5.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5357 8.5882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8832 8.7748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2267 8.6028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8874 9.1905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5399 9.0041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2364 9.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9632 8.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7324 8.7353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5226 8.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1964 9.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5904 9.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0583 8.8014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4058 8.9879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7493 8.8159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4100 9.4036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0625 9.2172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7590 9.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4858 8.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2550 8.9484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4023 9.7859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7190 9.3891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1130 9.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5764 8.3413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9239 8.5279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2674 8.3559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9281 8.9436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5806 8.7571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2771 8.9324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0039 8.2336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7731 8.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5633 8.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2371 8.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6311 9.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9121 8.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1388 7.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6165 8.0904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0990 8.5544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4465 8.7410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7900 8.5690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4507 9.1567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1032 8.9703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7997 9.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5265 8.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2957 8.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4430 9.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7597 9.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1537 9.3831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6171 8.0944 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9646 8.2809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3081 8.1089 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9688 8.6967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6213 8.5102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3178 8.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0446 7.9867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8138 8.2414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6040 8.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2778 8.6821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6718 8.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9528 7.8434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1795 7.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6572 7.8434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1397 8.3075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4872 8.4941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8307 8.3221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4914 8.9098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1439 8.7234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8404 8.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5672 8.1998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3364 8.4546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4837 9.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8004 8.8953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1944 9.1362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6578 7.8474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0053 8.0340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3488 7.8620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0095 8.4497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6620 8.2633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3585 8.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0853 7.7397 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8545 7.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6447 8.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3185 8.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7125 8.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9935 7.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2202 7.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6979 7.5965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1804 8.0606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5279 8.2472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8714 8.0752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5321 8.6629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1845 8.4764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8811 8.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6079 7.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3771 8.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5244 9.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8411 8.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2350 8.8893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2830 7.9231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2892 7.3338 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7225 7.1722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1943 6.6716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3110 7.3336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0367 7.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6001 7.6514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6176 6.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3925 6.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 7.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2017 8.4169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2078 7.8277 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6411 7.6660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1129 7.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2296 7.8274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9553 7.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5187 8.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5362 7.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3111 6.8303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7963 7.9892 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 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 129135 1 0 0 0 0 146147 1 1 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 146155 1 0 0 0 0 128146 1 0 0 0 0 156157 1 1 0 0 0 157158 1 1 0 0 0 159158 1 1 0 0 0 159160 1 0 0 0 0 160161 1 0 0 0 0 160165 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 156165 1 0 0 0 0 78156 1 0 0 0 0 M END > LMISSP0505CH05 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C108H192N4O51 > 2361.26 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261448 > - > - > Active (generated by computational methods) > - $$$$