Accord 08271317192D 172181 0 0 0 0 0 0 0 0999 V2000 24.4232 7.1510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8506 7.4806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2778 7.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0921 6.5783 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4923 6.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4923 5.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9196 6.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1623 8.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5313 8.0333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3427 6.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7655 6.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1883 6.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6111 6.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0339 6.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7003 7.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1231 7.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5459 7.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9686 7.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3913 7.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8143 7.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2370 7.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6598 7.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0339 5.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6598 6.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0273 6.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3949 6.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7624 6.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1299 6.5842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4975 6.2190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4070 5.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7801 5.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1531 5.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5262 5.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8993 5.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2723 5.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6454 5.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0185 5.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3915 5.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7646 5.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1377 5.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5107 5.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8838 5.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2569 5.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6299 5.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0030 5.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3761 5.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7491 5.1887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4763 9.0465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7403 9.2569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9997 9.0629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6169 9.7259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3529 9.5156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0107 9.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8305 8.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4421 9.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2054 9.4883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0936 9.7095 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 21.6817 9.2869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9457 9.4973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2051 9.3033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8223 9.9663 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5584 9.7560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2161 9.9536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0359 9.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6475 9.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8137 10.3975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2990 9.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6153 10.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8821 8.7679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1460 8.9784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4055 8.7844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0227 9.4473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7587 9.2370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4165 9.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2363 8.6464 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8479 8.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6112 9.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4994 9.4310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8157 9.7027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1327 8.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3884 8.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7993 8.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0875 9.0084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3515 9.2188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6109 9.0248 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2281 9.6877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9642 9.4774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6219 9.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4417 8.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0533 9.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2195 10.1190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7048 9.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0211 9.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2879 8.4894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5518 8.6998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8113 8.5058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4285 9.1688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1645 8.9585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8222 9.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6421 8.3679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2536 8.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0170 8.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9051 9.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2215 9.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5385 8.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 8.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2050 8.2063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4933 8.7298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7573 8.9403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0167 8.7463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6339 9.4092 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3700 9.1989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0277 9.3966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8475 8.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4591 8.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6253 9.8404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1106 9.3928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4269 9.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 8.2109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9576 8.4213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2171 8.2273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8343 8.8902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5703 8.6799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2280 8.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0479 8.0893 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6594 8.3768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4228 8.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3109 8.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6273 9.1457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9442 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 7.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6108 7.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4974 10.4266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9710 10.9824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2348 11.1923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2428 11.9579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7693 11.4022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5753 11.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8797 10.6507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8309 11.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7677 11.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5055 11.1921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0554 11.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7083 10.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8351 10.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4213 10.7341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2440 11.7614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7176 12.3172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9814 12.5272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9894 13.2927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5158 12.7370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3218 13.0814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6263 11.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5775 12.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2014 13.6683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2520 12.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8019 13.1088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9329 13.0203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1969 13.2307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4563 13.0367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0735 13.6997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8096 13.4894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4673 13.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2871 12.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8987 13.1862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0649 14.1309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5502 13.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8665 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 2 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 > LMISSP0505BP08 > > GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C112H197N5O53 > 2460.29 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261307 > - > - > Active (generated by computational methods) > - $$$$