Accord 08271317192D 179189 0 0 0 0 0 0 0 0999 V2000 24.4091 8.1824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8230 8.5198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2367 8.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7480 7.5962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0703 7.5962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 8.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4563 7.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4563 6.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8702 7.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1421 9.0725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4963 9.0855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2797 7.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6888 7.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0981 7.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5073 7.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9165 7.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3256 7.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7348 7.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1440 7.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5532 7.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9624 7.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3716 7.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3792 6.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9706 6.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9782 5.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3891 5.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7966 5.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2075 5.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6150 5.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0259 5.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4333 5.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8443 5.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2517 5.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6457 8.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0549 8.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4640 8.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8732 8.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2824 8.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6916 8.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1008 8.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5100 8.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9192 8.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3284 8.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7375 8.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1467 8.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5560 8.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9651 8.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.3304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4635 10.1240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7096 10.3396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9510 10.1409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5588 10.8200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3128 10.6046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9622 10.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8020 9.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3797 10.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1373 10.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0715 10.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3712 11.0816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6009 10.3703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8469 10.5859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0883 10.3872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6962 11.0663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4501 10.8508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0995 11.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9393 10.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5171 10.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6874 11.5080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2088 11.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5085 11.3279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7330 9.8387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9790 10.0543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2204 9.8555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8283 10.5346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5823 10.3192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2317 10.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0715 9.7142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6492 10.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4068 10.2913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3410 10.5179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6406 10.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9653 9.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2273 9.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6238 9.5488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8651 9.3071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1112 9.5227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3526 9.3239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9605 10.0030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7144 9.7876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3638 9.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2036 9.1826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7814 9.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9516 10.4448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4731 9.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7728 10.2647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9973 8.7755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2433 8.9911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4847 8.7923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0926 9.4714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8466 9.2560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4959 9.4585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3357 8.6510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9135 8.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6711 9.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6052 9.4547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9049 9.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2296 8.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4916 8.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8881 8.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1294 8.2439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3754 8.4595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6169 8.2607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2247 8.9398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9787 8.7244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6281 8.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4679 8.1194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0456 8.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2159 9.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7374 8.9231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0371 9.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3854 8.4964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7677 8.0131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4827 7.2826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7028 7.3645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3202 7.8479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9504 7.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0972 7.8880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 6.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 7.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6055 8.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9685 8.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1687 7.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4745 7.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9680 7.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0552 8.1194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0623 7.4385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4075 7.2517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7971 6.6733 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9320 7.4382 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6150 7.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4216 7.8054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2863 6.7798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0262 6.2860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5868 7.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2363 10.7599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6971 11.3292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9430 11.5443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9511 12.3285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4904 11.7592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2917 12.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6036 10.9895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5292 11.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4644 12.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2445 11.5441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7835 12.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4279 10.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5579 10.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1340 11.0749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9279 12.1273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3887 12.6966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6346 12.9117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6428 13.6958 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1821 13.1266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9833 13.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2952 12.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2209 13.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 14.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9362 12.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4752 13.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8825 12.3569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5420 11.7672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8833 11.9397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0635 11.7525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5690 12.3423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1315 12.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0380 11.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 11.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0635 11.3026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2278 12.1698 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 78 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 103110 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 136137 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 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 135144 1 0 0 0 0 116135 1 0 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 145154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 156157 1 0 0 0 0 156158 2 0 0 0 0 95145 1 0 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 162161 1 1 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 163168 1 0 0 0 0 159168 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 164169 1 0 0 0 0 153159 1 0 0 0 0 170171 1 1 0 0 0 171172 1 1 0 0 0 173172 1 1 0 0 0 173174 1 0 0 0 0 174175 1 0 0 0 0 174179 1 0 0 0 0 171176 1 0 0 0 0 172177 1 0 0 0 0 173178 1 0 0 0 0 170179 1 0 0 0 0 165170 1 0 0 0 0 M END > LMISSP0504BP05 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C116H205N5O56 > 2564.33 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260936 > - > - > Active (generated by computational methods) > - $$$$