Accord 08271317192D 169178 0 0 0 0 0 0 0 0999 V2000 24.4116 7.1953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8275 7.5315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2433 7.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7493 6.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0739 6.6111 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4621 6.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4621 5.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8780 6.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1455 8.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5019 8.0952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2895 6.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7008 6.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1120 6.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5232 6.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9345 6.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6543 7.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0655 7.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4767 7.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8880 7.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2991 7.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7105 7.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1216 7.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5329 7.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9345 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5329 6.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8877 6.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2426 6.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5975 6.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9523 6.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3073 6.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2950 5.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6556 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0161 5.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3766 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7371 5.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0976 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4582 5.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8187 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1792 5.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5397 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9002 5.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2607 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6213 5.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9818 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3423 5.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7028 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0633 5.1938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4239 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4658 9.1287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7150 9.3434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9597 9.1455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5692 9.8217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3200 9.6072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9709 9.8088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8071 9.0048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3909 9.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1495 9.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0754 9.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3781 10.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6153 9.3739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8645 9.5886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1092 9.3907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7187 10.0669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4695 9.8524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1203 10.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9566 9.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5404 9.5432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7099 10.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2249 10.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5276 10.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7596 8.8446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0088 9.0593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2535 8.8614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8630 9.5376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6138 9.3231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2647 9.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1009 8.7207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6847 9.0138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4433 9.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3692 9.5209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6719 9.7981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9952 8.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2561 8.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6551 8.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9091 9.0898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1583 9.3045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4030 9.1066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0125 9.7828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7633 9.5683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4142 9.7699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2504 8.9659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8342 9.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0037 10.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5187 9.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8214 10.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0534 8.5605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3027 8.7751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5473 8.5772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1568 9.2535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9076 9.0390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5585 9.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3947 8.4365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9785 8.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7371 9.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6630 9.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9657 9.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2890 8.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5499 8.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9489 8.2718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2029 8.8057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4522 9.0204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6968 8.8225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3063 9.4987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0571 9.2842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7080 9.4858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5442 8.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1280 8.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2975 9.9386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8125 9.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1152 9.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4705 9.0571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8555 8.5759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5717 7.8485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7951 7.9300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4099 8.4114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0416 8.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1836 8.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1140 7.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4340 8.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6939 9.1388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0597 8.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2872 10.5365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7503 11.1034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9993 11.3175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0075 12.0984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5445 11.5316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3466 11.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6572 10.7651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5873 11.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5228 12.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2954 11.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8363 11.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4823 10.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6116 10.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1895 10.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9886 11.8980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4517 12.4649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7008 12.6791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7089 13.4599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2459 12.8931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0480 13.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3586 12.1267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2888 13.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9252 13.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9969 12.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5378 13.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6313 13.1821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8806 13.3967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1252 13.1988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7347 13.8751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4855 13.6606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1364 13.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9726 13.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5564 13.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7259 14.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2409 13.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5436 14.1356 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 119123 1 0 0 0 0 134135 1 1 0 0 0 136135 1 1 0 0 0 137136 1 1 0 0 0 137138 1 0 0 0 0 138139 1 0 0 0 0 138143 1 0 0 0 0 134143 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 145146 1 0 0 0 0 145147 2 0 0 0 0 97134 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 142148 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 155159 1 0 0 0 0 M END > LMISSP0505CO06 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C110H196N4O53 > 2421.28 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261497 > - > - > Active (generated by computational methods) > - $$$$