Accord 08271317192D 173183 0 0 0 0 0 0 0 0999 V2000 24.4150 7.1782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8343 7.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2534 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7508 6.5974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0793 6.5974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4709 6.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4709 5.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8902 6.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1504 8.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5105 8.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3051 6.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7197 6.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1344 6.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5490 6.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9637 6.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6678 7.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0824 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4970 7.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9116 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3261 7.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7409 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1555 7.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5701 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9637 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5701 6.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9286 6.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2873 6.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6458 6.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0044 6.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3630 6.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3279 5.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6921 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0563 5.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4205 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7847 5.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1489 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5131 5.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8772 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2414 5.1882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6056 5.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4689 9.1005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7224 9.3139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9714 9.1171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5832 9.7895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3296 9.5762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9825 9.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8139 8.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4059 9.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1659 9.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0807 9.7729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3874 10.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6348 9.3443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8883 9.5577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1373 9.3610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7491 10.0333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4955 9.8200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1484 10.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9798 9.2211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5718 9.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7403 10.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2466 10.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5533 10.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7955 8.8180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0491 9.0314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2981 8.8347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9098 9.5070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6563 9.2937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3092 9.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1406 8.6948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7325 8.9862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4925 9.2661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4074 9.4904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7141 9.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0355 8.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2949 8.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6974 8.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9614 9.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2150 9.2753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4639 9.0785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0757 9.7508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8222 9.5376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4751 9.7380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3065 8.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8984 9.2301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0670 10.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5733 9.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8799 10.0098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1222 8.5355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3757 8.7489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6247 8.5522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2365 9.2245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9829 9.0112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6358 9.2117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4672 8.4123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0592 8.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8192 8.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7340 9.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0407 9.4835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3621 8.2485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6215 8.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0240 8.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2880 8.7793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5416 8.9928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7906 8.7960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4024 9.4683 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1488 9.2551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8017 9.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6331 8.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2251 8.9476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3936 9.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8999 9.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2066 9.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2246 8.6561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8874 8.0723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2353 8.2431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4237 8.0578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9241 8.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4910 8.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3785 8.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8942 7.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4237 7.6124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5763 8.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5714 9.0293 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8203 8.8330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2739 8.2814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5975 8.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3486 8.8589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9478 8.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0704 8.5899 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7100 8.1239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4215 8.9430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 9.4105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1579 9.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 8.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3811 8.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7723 8.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3488 10.5001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8150 11.0638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0684 11.2767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0765 12.0531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6104 11.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4136 11.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7224 10.7274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6588 11.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5946 12.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3570 11.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9005 11.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5485 10.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6771 10.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2575 10.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0635 11.8538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5297 12.4175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7831 12.6304 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7911 13.4068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3251 12.8432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1283 13.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4371 12.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3734 13.0488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0062 13.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0717 12.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6152 13.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0285 12.0812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6914 11.4973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0392 11.6682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2277 11.4829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7281 12.0668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2949 11.9507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1825 11.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6982 11.3271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 11.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3803 11.8960 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 98104 1 0 0 0 0 115116 1 1 0 0 0 116117 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 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 110115 1 0 0 0 0 125126 1 1 0 0 0 127126 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 125134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 136137 1 0 0 0 0 136138 2 0 0 0 0 111125 1 0 0 0 0 139140 1 1 0 0 0 141140 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 139148 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 150151 1 0 0 0 0 150152 2 0 0 0 0 89139 1 0 0 0 0 153154 1 1 0 0 0 155154 1 1 0 0 0 156155 1 1 0 0 0 156157 1 0 0 0 0 157158 1 0 0 0 0 157162 1 0 0 0 0 153162 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 158163 1 0 0 0 0 147153 1 0 0 0 0 164165 1 1 0 0 0 165166 1 1 0 0 0 167166 1 1 0 0 0 167168 1 0 0 0 0 168169 1 0 0 0 0 168173 1 0 0 0 0 165170 1 0 0 0 0 166171 1 0 0 0 0 167172 1 0 0 0 0 164173 1 0 0 0 0 159164 1 0 0 0 0 M END > LMISSP0505DX02 > > Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C110H193N5O56 > 2480.24 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261709 > - > - > Active (generated by computational methods) > - $$$$