Accord 08271317192D 165174 0 0 0 0 0 0 0 0999 V2000 24.4093 6.8028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8229 7.1404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2364 6.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.2164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0704 6.2164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9959 7.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4561 5.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4561 5.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8698 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1421 7.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4961 7.7063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2791 5.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6880 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0970 5.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5060 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9150 5.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3239 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7329 5.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1419 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5509 5.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9598 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3688 5.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7778 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1868 5.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5957 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0047 5.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4137 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8227 5.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2317 6.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6451 7.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0542 6.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4631 7.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8721 6.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2810 7.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6901 6.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0990 7.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5080 6.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9169 7.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3260 6.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7349 7.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1439 6.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5529 7.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9619 6.8028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 8.7440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7097 8.9596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9512 8.7609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5591 9.4399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3130 9.2245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9625 9.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8021 8.6196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3801 8.9139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1377 9.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0716 9.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3714 9.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6013 8.9903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8474 9.2058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0889 9.0071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6968 9.6861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4507 9.4707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1001 9.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9398 8.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5178 9.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6880 10.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2093 9.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5091 9.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7338 8.4587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9799 8.6743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2214 8.4756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8293 9.1546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5832 8.9392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2326 9.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0723 8.3343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6503 8.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4079 8.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3418 9.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6416 9.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9662 8.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2281 7.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6247 8.1688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8663 7.9272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1124 8.1427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3539 7.9440 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9618 8.6230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7157 8.4076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3651 8.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2048 7.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7828 8.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9530 9.0647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4743 8.6063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7740 8.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9988 7.3956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2449 7.6112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4864 7.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0943 8.0915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8482 7.8761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4976 8.0785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3373 7.2712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9152 7.5656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6729 7.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6068 8.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9065 8.3531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2312 7.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4931 6.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8897 7.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1313 6.8641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3774 7.0797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6189 6.8809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2268 7.5600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9807 7.3446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6301 7.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4698 6.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0477 7.0340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2180 8.0016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7393 7.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0390 7.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 7.1165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7700 6.6334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4850 5.9029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7052 5.9848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3225 6.4681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9528 6.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0994 6.5082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0254 5.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4295 6.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 7.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9709 6.7957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1709 6.3251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4767 6.4268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9702 6.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2376 9.3798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6985 9.9491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9445 10.1641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9526 10.9482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4918 10.3790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2931 10.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6050 9.6094 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5308 10.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4660 10.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2459 10.1639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7849 10.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4294 9.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5593 9.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1354 9.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7468 9.8852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9929 10.1007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2344 9.9020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8423 10.5810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5962 10.3656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2456 10.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0853 9.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6633 10.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8335 11.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3548 10.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6545 10.8426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6727 9.7607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6798 9.0799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0250 8.8931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4148 8.3148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5496 9.0797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2327 8.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0390 9.4468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9039 8.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6438 7.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2044 9.2665 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 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 91131 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 138145 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 151156 1 0 0 0 0 M END > LMISSP0504BJ03 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C106H187N5O52 > 2362.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260886 > - > - > Active (generated by computational methods) > - $$$$