Accord 08271317192D 172181 0 0 0 0 0 0 0 0999 V2000 24.5902 6.5284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1834 6.7626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7765 6.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8254 6.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.3550 6.1216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9972 6.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9289 5.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9289 5.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5221 6.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4049 7.1462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9567 7.1552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1123 5.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7022 6.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2922 5.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8821 6.1162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4721 5.8811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3663 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9563 6.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5462 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1361 6.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7260 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3161 6.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9060 6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4959 6.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4721 5.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4959 6.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0466 5.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5973 6.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1480 5.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6987 6.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2494 5.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0268 5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5814 5.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1360 5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6906 5.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2453 5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7999 5.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3545 5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9092 5.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4638 5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0184 5.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5731 5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1277 5.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6823 5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2369 5.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7916 5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3462 5.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9008 5.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4555 5.3916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6280 7.8750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1051 8.0245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5790 7.8866 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3071 8.3576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8299 8.2082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5868 8.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1692 7.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1829 7.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0148 8.1889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3561 8.3460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8704 8.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6427 8.0458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1198 8.1953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5938 8.0574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3218 8.5284 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8447 8.3790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6015 8.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1839 7.9595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1976 8.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3157 8.8347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3708 8.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8852 8.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6539 7.6771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1310 7.8266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6049 7.6888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3330 8.1597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8558 8.0103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6127 8.1507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1951 7.5908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.2088 7.7950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0407 7.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3820 8.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8963 8.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1215 7.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3032 7.3459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8846 7.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6686 7.8479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1457 7.9974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6197 7.8596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3477 8.3305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8706 8.1811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6274 8.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2098 7.7616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2235 7.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3416 8.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3967 8.3189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9111 8.5120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6797 7.4792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1569 7.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6308 7.4909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3589 7.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8817 7.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6386 7.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2210 7.3929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2347 7.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0665 7.7931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4079 7.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9222 8.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1474 7.2782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3291 7.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9105 7.2782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6945 7.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1716 7.7995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6456 7.6617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3736 8.1327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8965 7.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6533 8.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2357 7.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2494 7.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3675 8.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4226 8.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9370 8.3141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7056 7.2814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1828 7.4309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6567 7.2930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3848 7.7640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9076 7.6146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6645 7.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2469 7.1950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2606 7.3992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0924 7.5952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4338 7.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9481 7.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1733 7.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3549 6.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9364 7.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7204 7.4522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1975 7.6017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6715 7.4638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3995 7.9348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9224 7.7854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6792 7.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2616 7.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2753 7.5700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3934 8.2411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4485 7.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9629 8.1162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7315 7.0835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2087 7.2330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6826 7.0952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4107 7.5661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9335 7.4167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6904 7.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2728 6.9972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2865 7.2013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1183 7.3974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4597 7.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9740 7.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1992 6.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3808 6.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9623 6.8824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7463 7.2543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2234 7.4038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6974 7.2660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4254 7.7369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9483 7.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7051 7.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 7.1680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3012 7.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4193 8.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4744 7.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9887 7.9184 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 1 0 0 0 0 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 131137 1 0 0 0 0 148149 1 1 0 0 0 150149 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 148157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 159160 1 0 0 0 0 159161 2 0 0 0 0 144148 1 0 0 0 0 162163 1 1 0 0 0 164163 1 1 0 0 0 165164 1 1 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 166171 1 0 0 0 0 162171 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 167172 1 0 0 0 0 156162 1 0 0 0 0 M END > LMISSP0505EN06 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C112H199N5O53 > 2462.30 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261833 > - > - > Active (generated by computational methods) > - $$$$