Accord 08271317192D 179189 0 0 0 0 0 0 0 0999 V2000 24.5251 7.0634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0536 7.3348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5820 7.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7977 6.5918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2525 6.5918 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9967 7.3356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7586 6.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7586 5.7678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2871 6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3102 7.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7907 7.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8121 6.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3368 6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8615 6.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3862 6.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9110 6.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1065 7.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6312 7.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1559 7.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6807 7.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2053 7.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7302 7.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2549 7.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7796 7.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9110 5.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7796 6.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2588 6.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7381 6.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2173 6.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6965 6.5967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1758 6.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3948 5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8786 5.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3624 5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8462 5.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3300 5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8138 5.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2976 5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7814 5.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2652 5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7490 5.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2328 5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7166 5.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2004 5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6842 5.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1680 5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6518 5.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5688 8.6241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9628 8.7973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3530 8.6376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0378 9.1835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6438 9.0103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3620 9.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0371 8.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8939 8.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6990 8.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2537 9.1700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6908 9.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2678 8.8220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6618 8.9953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0520 8.8356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7368 9.3814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3429 9.2083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0610 9.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7361 8.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5929 8.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7297 9.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9527 9.3679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3898 9.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9626 8.3947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3566 8.5680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7469 8.4083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4317 8.9541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0377 8.7810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7559 8.9437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4309 8.2947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2877 8.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0929 8.7585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6475 8.9406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0846 9.1644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3456 8.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5562 8.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0711 8.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6616 8.5927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0556 8.7660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4459 8.6062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1307 9.1521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7367 8.9789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4549 9.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1299 8.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9867 8.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1236 9.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3465 9.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7836 9.3624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3565 8.1654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7504 8.3387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1407 8.1789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8255 8.7248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4315 8.5516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1497 8.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8247 8.0653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6816 8.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4867 8.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0414 8.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4784 8.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7394 7.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9500 7.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4649 7.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0555 8.3633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4495 8.5366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8397 8.3769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5245 8.9227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1306 8.7496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8487 8.9123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5238 8.2633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3806 8.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5174 9.2778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7404 8.9093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1775 9.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8498 8.5663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3534 8.1778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1243 7.5907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4974 7.6565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9937 8.0450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6964 7.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6182 8.0773 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7548 7.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2757 7.8088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2230 8.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7110 8.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6757 7.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9215 8.0118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5143 7.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1246 6.7276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5185 6.9009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9088 6.7412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5936 7.2870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1996 7.1139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9178 7.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5928 6.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4496 6.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5865 7.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8094 7.2735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2465 7.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9189 6.9306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4225 6.5421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1933 5.9549 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5665 6.0208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0628 6.4093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7655 6.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6873 6.4416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8239 5.6558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3448 6.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2920 6.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7801 6.6726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7448 6.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9906 6.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5834 6.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2611 6.6276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2668 6.0803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7405 5.9301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2499 5.4652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3583 6.0801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1035 5.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5556 6.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6431 5.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4340 5.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8846 6.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1921 8.2633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1978 7.7160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6714 7.5658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1808 7.1009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2892 7.7158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0345 7.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4865 8.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5740 7.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3649 6.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8156 7.8660 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 128135 1 0 0 0 0 146147 1 1 0 0 0 148147 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 146155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 151156 1 0 0 0 0 152157 1 0 0 0 0 157158 1 0 0 0 0 157159 2 0 0 0 0 142146 1 0 0 0 0 160161 1 1 0 0 0 161162 1 1 0 0 0 163162 1 1 0 0 0 163164 1 0 0 0 0 164165 1 0 0 0 0 164169 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 163168 1 0 0 0 0 160169 1 0 0 0 0 141160 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 116170 1 0 0 0 0 M END > LMISSP0505AY05 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C116H205N5O56 > 2564.33 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261168 > - > - > Active (generated by computational methods) > - $$$$