Accord 08271317192D 157165 0 0 0 0 0 0 0 0999 V2000 24.4089 7.2029 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8221 7.5406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2352 7.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.6160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0696 6.6160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4549 6.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4549 5.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8681 6.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1416 8.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4950 8.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2770 6.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6855 6.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0940 6.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5025 6.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9110 6.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6434 7.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0519 7.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4604 7.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8689 7.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2773 7.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6860 7.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0944 7.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5029 7.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9110 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5029 6.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8547 6.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2067 6.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5585 6.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9104 6.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2623 6.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2686 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6262 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9837 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3413 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6988 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0564 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4139 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7715 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1290 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4866 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8441 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2017 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5593 5.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9168 5.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4633 9.1452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7091 9.3609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9502 9.1621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5579 9.8414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3122 9.6259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9614 9.8285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8016 9.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3788 9.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1363 9.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0711 9.8247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3706 10.1032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5996 9.3916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8454 9.6073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0865 9.4085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6942 10.0878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4485 9.8723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0977 10.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9378 9.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5151 9.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6854 10.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2074 10.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5068 10.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7307 8.8598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9764 9.0755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2176 8.8766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8253 9.5560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5795 9.3405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2288 9.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0689 8.7353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6461 9.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4036 9.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3385 9.5392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6379 9.8177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9627 8.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2248 8.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6211 8.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8670 9.1062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1127 9.3218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3539 9.1230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9616 9.8024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7158 9.5869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3651 9.7894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2052 8.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7824 9.2762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9528 10.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4748 9.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7742 10.0641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9980 8.5744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2438 8.7900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4849 8.5912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0927 9.2706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8469 9.0551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4962 9.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3363 8.4499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9135 8.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6710 9.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6059 9.2538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9053 9.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2301 8.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4922 8.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8884 8.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1343 8.8208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3801 9.0364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6212 8.8376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2290 9.5169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9832 9.3015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6325 9.5040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4726 8.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0498 8.9908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2201 9.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7421 9.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0416 9.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3893 9.0733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7714 8.5899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4862 7.8591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7061 7.9410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3237 8.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9538 8.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1010 8.4647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0264 7.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4302 8.1306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6091 9.1554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9719 8.7523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1725 8.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4784 8.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9717 8.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2375 10.5595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6981 11.1290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9437 11.3442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9519 12.1287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4914 11.5592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2926 11.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6046 10.7892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5298 11.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4650 12.1338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2458 11.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7846 11.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4289 10.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5588 10.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1348 10.8747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9283 11.9274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3889 12.4969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6345 12.7121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6427 13.4965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1822 12.9271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9834 13.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2954 12.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2206 13.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 13.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9366 12.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4754 13.3081 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 115119 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 93133 1 0 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 150149 1 1 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 151156 1 0 0 0 0 147156 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 152157 1 0 0 0 0 141147 1 0 0 0 0 M END > LMISSP0505EM04 > > GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C102H181N5O48 > 2244.19 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261823 > - > - > Active (generated by computational methods) > - $$$$