Accord 08271317192D 175185 0 0 0 0 0 0 0 0999 V2000 24.4092 7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8229 7.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2363 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0703 6.5011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9959 7.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4560 6.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4560 5.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8696 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1421 7.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4960 7.9911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2789 6.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6878 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0968 6.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5057 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9146 6.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3235 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7325 6.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1414 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5504 6.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9593 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3683 6.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7772 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1861 6.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5950 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0040 6.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4129 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8218 6.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2308 6.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6450 7.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0540 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4629 7.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8718 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2807 7.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6897 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0986 7.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5075 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9165 7.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3255 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7344 7.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1433 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5523 7.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9612 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4635 9.0289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7096 9.2445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9511 9.0457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5590 9.7248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3129 9.5094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9623 9.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8021 8.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3799 9.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1375 9.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0715 9.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 9.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6010 9.2752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8471 9.4907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0886 9.2920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6965 9.9711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4504 9.7557 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0998 9.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9396 9.1507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5174 9.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6877 10.4128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2090 9.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5088 10.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7333 8.7436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9794 8.9592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2209 8.7604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8288 9.4395 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5827 9.2241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2321 9.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0719 8.6191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6497 8.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4073 9.1962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3413 9.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6411 9.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9657 8.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2277 8.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6242 8.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8656 8.2120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1117 8.4276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3532 8.2288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9611 8.9079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7150 8.6925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3644 8.8950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2042 8.0876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7820 8.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9523 9.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4736 8.8912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7734 9.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9979 7.6804 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2440 7.8960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4855 7.6973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0934 8.3763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8473 8.1609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4967 8.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3365 7.5560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9143 7.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6719 8.1330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6059 8.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9057 8.6380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2303 7.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4923 7.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8888 7.3905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1302 7.1488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3763 7.3644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6178 7.1657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2257 7.8447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9796 7.6293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6290 7.8318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4688 7.0244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0466 7.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2169 8.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7382 7.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0380 8.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3863 7.4013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7688 6.9181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4837 6.1876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7039 6.2695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3213 6.7529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9515 6.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0982 6.7930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0241 5.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4281 6.4590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6065 7.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9696 7.0804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1697 6.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4755 6.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9690 6.3336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0561 7.0244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0632 6.3435 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4084 6.1567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7981 5.5784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9329 6.3433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6160 6.0197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4225 6.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2873 5.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0271 5.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5877 6.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2369 9.6647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6977 10.2340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9436 10.4491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9518 11.2332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4911 10.6640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2923 11.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6042 9.8943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5299 10.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4651 11.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2452 10.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7841 11.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4286 9.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5585 9.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1346 9.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7459 10.1701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9920 10.3857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2334 10.1870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8413 10.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5952 10.6506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2446 10.8531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0844 10.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6622 10.3401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8325 11.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3539 10.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6536 11.1277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6717 10.0457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6788 9.3648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0240 9.1780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4137 8.5997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5486 9.3646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2317 9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0381 9.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9029 8.7061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6427 8.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2034 9.5514 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 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 131132 1 1 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 112131 1 0 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 144143 1 1 0 0 0 144145 1 0 0 0 0 145146 1 0 0 0 0 145150 1 0 0 0 0 141150 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 152153 1 0 0 0 0 152154 2 0 0 0 0 91141 1 0 0 0 0 155156 1 1 0 0 0 157156 1 1 0 0 0 158157 1 1 0 0 0 158159 1 0 0 0 0 159160 1 0 0 0 0 159164 1 0 0 0 0 155164 1 0 0 0 0 156161 1 0 0 0 0 157162 1 0 0 0 0 158163 1 0 0 0 0 160165 1 0 0 0 0 148155 1 0 0 0 0 166167 1 1 0 0 0 167168 1 1 0 0 0 169168 1 1 0 0 0 169170 1 0 0 0 0 170171 1 0 0 0 0 170175 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 169174 1 0 0 0 0 166175 1 0 0 0 0 161166 1 0 0 0 0 M END > LMISSP0504BM03 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C112H197N5O56 > 2508.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260910 > - > - > Active (generated by computational methods) > - $$$$