Accord 08271317192D 148156 0 0 0 0 0 0 0 0999 V2000 24.3830 7.3830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7704 7.7356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1577 7.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7371 6.7703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0288 6.7703 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9958 7.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3871 6.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3871 5.6998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7746 6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1039 8.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4289 8.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1575 6.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5400 6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9225 6.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3051 6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6877 6.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5400 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9225 7.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3050 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6876 7.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0700 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4527 7.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8352 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2177 7.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6877 5.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2177 6.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5411 6.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8646 6.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1880 6.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5114 6.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8349 6.3860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0170 5.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3464 5.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6757 5.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0051 5.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3345 5.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6638 5.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9932 5.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3225 5.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6519 5.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9812 5.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4398 9.4106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6524 9.6357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8602 9.4282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4508 10.1374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2381 9.9124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8720 10.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7490 9.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2637 9.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0106 9.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0304 10.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2990 10.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4503 9.6678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6630 9.8929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8708 9.6854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4613 10.3945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2487 10.1696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8826 10.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7595 9.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2743 9.8453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4521 10.8558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0409 10.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3096 10.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4555 9.1126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6682 9.3378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8760 9.1302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4665 9.8394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2538 9.6144 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8877 9.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7647 8.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2795 9.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0263 9.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0461 9.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3148 10.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6538 8.8099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9274 8.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2972 8.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4661 9.3698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6787 9.5950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8866 9.3874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4771 10.0966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2644 9.8716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8983 10.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7753 9.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2900 9.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4679 10.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0567 10.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3254 10.3698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6005 9.6335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9556 9.1288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6579 8.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8435 8.4515 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4882 8.9563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1020 8.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2996 8.9982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1779 7.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5555 8.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7861 9.7192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1210 9.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3743 8.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6936 8.9131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1647 8.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 7.2447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5717 7.4699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7795 7.2623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3701 7.9715 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1574 7.7465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7913 7.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6683 7.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1830 7.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3608 8.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9497 7.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2183 8.2447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4935 7.5084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8485 7.0037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5508 6.2409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7364 6.3264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3812 6.8312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9950 6.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1926 6.8731 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0709 5.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4485 6.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6791 7.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 7.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2673 6.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5866 6.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0576 6.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2373 7.1148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2447 6.4037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5609 6.2086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9235 5.6046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0643 6.4034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7334 6.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6199 6.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4344 5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1627 5.2002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7482 6.5986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3443 9.2399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3517 8.5288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6679 8.3337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0305 7.7297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1714 8.5285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8404 8.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7269 8.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5414 7.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2697 7.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8552 8.7237 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 97104 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 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 130131 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 129138 1 0 0 0 0 110129 1 0 0 0 0 139140 1 1 0 0 0 140141 1 1 0 0 0 142141 1 1 0 0 0 142143 1 0 0 0 0 143144 1 0 0 0 0 143148 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 139148 1 0 0 0 0 85139 1 0 0 0 0 M END > LMISSP0505AJ02 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C96H170N4O46 > 2115.11 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261045 > - > - > Active (generated by computational methods) > - $$$$