Accord 08271317192D 160168 0 0 0 0 0 0 0 0999 V2000 24.4092 8.1891 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8232 8.5264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2369 8.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7480 7.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0704 7.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 8.5274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4564 7.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4564 6.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8704 7.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1422 9.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4964 9.0921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2800 7.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6892 7.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0984 7.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5077 7.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9170 7.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3262 7.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7354 7.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1447 7.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5539 7.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9631 7.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3724 7.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3800 6.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9714 6.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9790 5.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3899 5.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7975 5.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2084 5.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6160 5.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0270 5.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4344 5.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8455 5.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2530 5.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6640 5.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0715 5.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6459 8.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0552 8.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4644 8.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8736 8.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2828 8.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6922 8.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1013 8.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5106 8.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9199 8.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3292 8.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7383 8.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1475 8.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5569 8.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9661 8.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 10.1305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7097 10.3461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9512 10.1473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5591 10.8264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3130 10.6110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9624 10.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8021 10.0061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3800 10.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1376 10.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0716 10.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 11.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6012 10.3768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8473 10.5923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0888 10.3936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6967 11.0726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4506 10.8572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1000 11.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9397 10.2523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5176 10.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6879 11.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2092 11.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5089 11.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7336 9.8452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9797 10.0608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2212 9.8620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8291 10.5411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5830 10.3257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2324 10.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0721 9.7208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6500 10.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4076 10.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3416 10.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6414 10.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9660 9.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2280 9.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6245 9.5553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8660 9.3137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1121 9.5292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3536 9.3305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9615 10.0095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7154 9.7941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3648 9.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2046 9.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7824 9.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9527 10.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4740 9.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7738 10.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9984 8.7821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2445 8.9977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4860 8.7989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0940 9.4780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8478 9.2626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4973 9.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3370 8.6576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9149 8.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6725 9.2347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6064 9.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9062 9.7396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2309 8.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4928 8.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8894 8.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1309 8.2505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3770 8.4661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6185 8.2674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2264 8.9464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9803 8.7310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6297 8.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4694 8.1261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0473 8.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2175 9.3881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7388 8.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0386 9.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3871 8.5030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7695 8.0198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4845 7.2893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7047 7.3712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3220 7.8546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9522 7.6899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0990 7.8947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0249 6.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 7.5607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6073 8.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9704 8.1821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1704 7.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 7.8132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9697 7.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0568 8.1261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0639 7.4452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4091 7.2585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7988 6.6801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9336 7.4450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6167 7.1214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4231 7.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2879 6.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0278 6.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5884 7.6318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2373 10.7663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6982 11.3356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9441 11.5506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9523 12.3347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4915 11.7655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2928 12.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6047 10.9959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5304 11.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4656 12.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2456 11.5504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7846 12.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4291 10.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5590 10.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1351 11.0813 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 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 80 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 105112 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 138139 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 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 137146 1 0 0 0 0 118137 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 153158 1 0 0 0 0 158159 1 0 0 0 0 158160 2 0 0 0 0 97147 1 0 0 0 0 M END > LMISSP0504BF06 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C106H189N5O47 > 2284.26 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260857 > - > - > Active (generated by computational methods) > - $$$$