Accord 08271317192D 169178 0 0 0 0 0 0 0 0999 V2000 24.3769 7.3218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7584 7.6778 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1396 7.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7345 6.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0193 6.7031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 5.6221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7528 6.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0951 8.2611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4135 8.2748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1296 6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5061 6.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8826 6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2590 6.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6356 6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5159 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8923 7.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2688 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6453 7.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0217 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3984 7.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7748 7.6778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1512 7.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6356 5.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1512 6.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4680 6.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7849 6.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1017 6.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4184 6.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7353 6.3151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9584 5.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2812 5.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6040 5.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9267 5.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2495 5.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5723 5.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8951 5.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2179 5.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5407 5.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8634 5.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1862 5.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5090 5.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8318 5.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1546 5.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4774 5.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8001 5.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4343 9.3693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6392 9.5966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8393 9.3870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4258 10.1031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2208 9.8760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8511 10.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7367 9.2380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2369 9.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9813 9.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0209 10.0855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2824 10.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4156 9.6290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6205 9.8563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8206 9.6467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4071 10.3629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2021 10.1357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8324 10.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7180 9.4977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2182 9.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3977 10.8287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0021 10.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2637 10.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3914 9.0684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5963 9.2957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7964 9.0861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3829 9.8023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1779 9.5751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8082 9.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6938 8.9371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1940 9.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9384 9.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9780 9.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2395 10.0782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5819 8.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8581 8.5647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2217 8.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3727 9.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5776 9.5554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7777 9.3459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3642 10.0620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1592 9.8348 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7895 10.0483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6751 9.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1753 9.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3548 10.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9592 10.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2208 10.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6550 10.8601 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8600 11.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0600 10.8778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6465 11.5940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4416 11.3668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0719 11.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9574 10.7288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4577 11.0393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2020 11.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2416 11.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5031 11.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8455 10.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1218 10.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4854 10.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6363 11.1198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8413 11.3471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0413 11.1376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6278 11.8537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4229 11.6265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0532 11.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9387 10.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4389 11.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6185 12.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2229 11.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4844 12.1296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5036 10.9886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1445 10.3667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4498 10.5487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5854 10.3513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1184 10.9732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6570 10.8496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6675 10.5069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0865 10.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5854 9.8769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8131 10.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7427 11.3860 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9426 11.1770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3607 10.5894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6403 10.9953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4403 11.2045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0134 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2091 10.9180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7601 10.4217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4528 11.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0223 11.7921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2371 11.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2016 10.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5401 10.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8916 10.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3485 8.7675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5484 8.5585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9665 7.9709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2460 8.3768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0461 8.5860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6192 8.5815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8149 8.2994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3659 7.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9941 7.9296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6281 9.1735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8429 9.0503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8074 8.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1458 8.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4973 7.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4284 7.7120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8598 8.3124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0645 8.5392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0731 9.3661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6418 8.7659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4322 9.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7612 7.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6282 8.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 9.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4371 8.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9509 9.1675 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 95 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 122123 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 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 142143 1 0 0 0 0 142144 2 0 0 0 0 117131 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 92145 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 M END > LMISSP0505EI05 > > Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-6(Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C110H195N5O52 > 2418.28 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261800 > - > - > Active (generated by computational methods) > - $$$$