Accord 08271317192D 172181 0 0 0 0 0 0 0 0999 V2000 24.4232 7.1511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8506 7.4807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2778 7.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0921 6.5784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4923 6.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4923 5.5777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9197 6.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1623 8.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5314 8.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3428 6.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7656 6.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1884 6.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6111 6.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0340 6.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7003 7.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1231 7.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5459 7.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9687 7.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3914 7.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8144 7.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2371 7.4807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6599 7.1511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0340 5.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6599 6.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0274 6.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3950 6.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7625 6.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1300 6.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4976 6.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4071 5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7802 5.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1533 5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5263 5.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8994 5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2725 5.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6456 5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0186 5.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3917 5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7648 5.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1379 5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5110 5.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8840 5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2571 5.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6302 5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0033 5.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3764 5.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7494 5.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4763 9.0466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7403 9.2570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9998 9.0630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6170 9.7259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3530 9.5156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0107 9.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8305 8.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4421 9.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2055 9.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0936 9.7096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4099 9.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6818 9.2870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9458 9.4974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2052 9.3034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8224 9.9664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5585 9.7561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2162 9.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0360 9.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6476 9.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8138 10.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2991 9.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6154 10.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8822 8.7680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1462 8.9785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4056 8.7845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0228 9.4474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7589 9.2371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4166 9.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2364 8.6465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8480 8.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6114 9.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4995 9.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8158 9.7028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1328 8.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3885 8.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7994 8.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0877 9.0084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3516 9.2189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6111 9.0249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2283 9.6878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9643 9.4775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6221 9.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4419 8.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0535 9.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2197 10.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7050 9.6715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0213 9.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2881 8.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5521 8.6999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8115 8.5059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4287 9.1689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1648 8.9586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8225 9.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6423 8.3680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2539 8.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0173 8.9313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9054 9.1525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2217 9.4243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5387 8.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7944 8.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2053 8.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4936 8.7299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7575 8.9404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0170 8.7463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6342 9.4093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3702 9.1990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0280 9.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8478 8.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4594 8.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6256 9.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1108 9.3929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4272 9.6647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6940 8.2110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9579 8.4214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2174 8.2274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8346 8.8903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5706 8.6800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2284 8.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0482 8.0895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6598 8.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 8.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3112 8.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6276 9.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9446 7.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2003 7.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6112 7.9279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4976 10.4267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9712 10.9824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2351 11.1924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2430 11.9579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7695 11.4022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5755 11.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8799 10.6508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8312 11.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7679 11.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5057 11.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0556 11.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7085 10.5645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8353 10.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4215 10.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2442 11.7615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7178 12.3172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9816 12.5272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9896 13.2927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5161 12.7370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3221 13.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6265 11.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5777 12.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2017 13.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2523 12.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8022 13.1089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9332 13.0203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1972 13.2308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4566 13.0367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0738 13.6997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8099 13.4894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4676 13.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2874 12.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8990 13.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0652 14.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5505 13.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8668 13.9551 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 143148 1 0 0 0 0 148149 1 0 0 0 0 148150 2 0 0 0 0 97137 1 0 0 0 0 151152 1 1 0 0 0 153152 1 1 0 0 0 154153 1 1 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 155160 1 0 0 0 0 151160 1 0 0 0 0 152157 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 156161 1 0 0 0 0 145151 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 158162 1 0 0 0 0 M END > LMISSP0505BP06 > > GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C112H199N5O53 > 2462.30 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261305 > - > - > Active (generated by computational methods) > - $$$$