Accord 08271317192D 179189 0 0 0 0 0 0 0 0999 V2000 24.4092 8.1829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8231 8.5203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2369 8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7480 7.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0704 7.5968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 8.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4564 7.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4564 6.5725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8704 7.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1422 9.0729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4964 9.0859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2799 7.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6891 7.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0984 7.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5076 7.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9169 7.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3261 7.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7353 7.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1446 7.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5538 7.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9630 7.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3723 7.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3799 6.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9713 6.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9789 5.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3898 5.2095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7974 5.5450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2083 5.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6158 5.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0268 5.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4343 5.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8454 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2528 5.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6459 8.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0551 8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4643 8.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8736 8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2828 8.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6921 8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1013 8.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5105 8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9198 8.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3291 8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7382 8.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1474 8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5568 8.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9659 8.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.3307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 10.1244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7097 10.3399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9511 10.1412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5591 10.8202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3130 10.6048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9624 10.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8021 9.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3800 10.2943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1376 10.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0716 10.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 11.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6011 10.3706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8472 10.5862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0887 10.3875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6966 11.0665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4505 10.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1000 11.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9397 10.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5175 10.5405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6878 11.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2091 11.0497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5089 11.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7335 9.8391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9796 10.0546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2211 9.8559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8290 10.5349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5829 10.3195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2323 10.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0721 9.7146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6499 10.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4075 10.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3415 10.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6413 10.7966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9659 9.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2279 9.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6244 9.5491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8659 9.3075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1120 9.5231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3535 9.3243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9614 10.0034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7153 9.7880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3647 9.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2044 9.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7823 9.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9526 10.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4739 9.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7736 10.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9983 8.7759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2444 8.9915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4859 8.7928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0938 9.4718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8477 9.2564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4971 9.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3368 8.6515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9147 8.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6723 9.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6063 9.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9060 9.7334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2307 8.4860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4926 8.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8892 8.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1307 8.2444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3768 8.4599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6183 8.2612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2262 8.9402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9801 8.7248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6295 8.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4692 8.1199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0471 8.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 9.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7387 8.9235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0384 9.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3868 8.4968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7693 8.0136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4842 7.2831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7044 7.3650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3218 7.8484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9520 7.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0987 7.8885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0246 6.9110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4287 7.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 8.5788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9702 8.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1702 7.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4760 7.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9695 7.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0566 8.1199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0637 7.4390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4089 7.2523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7986 6.6739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9334 7.4388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6165 7.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4229 7.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2877 6.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0276 6.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5882 7.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2372 10.7602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6980 11.3294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9440 11.5445 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9522 12.3286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4914 11.7594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2927 12.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6045 10.9898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5303 11.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4655 12.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2455 11.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7845 12.1403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4289 10.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5588 10.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1350 11.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7462 11.2656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9924 11.4811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2338 11.2824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8417 11.9614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5956 11.7460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2451 11.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0848 11.1411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6627 11.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8329 12.4031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3542 11.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6540 12.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6721 11.1411 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6792 10.4602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0245 10.2735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4142 9.6951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5490 10.4600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2321 10.1364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0385 10.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9033 9.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6432 9.3079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2038 10.6468 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 152159 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 > LMISSP0504BM05 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C116H205N5O56 > 2564.33 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260912 > - > - > Active (generated by computational methods) > - $$$$