Accord 08271317192D 152160 0 0 0 0 0 0 0 0999 V2000 24.4093 7.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8227 7.4252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2359 7.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7484 6.5009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0702 6.5009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4557 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4557 5.4758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8692 6.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1421 7.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4958 7.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2782 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6870 6.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0957 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5044 6.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9132 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3219 6.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7306 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1394 6.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5481 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9568 6.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3656 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7743 6.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1830 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5918 6.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0005 6.1541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4092 6.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6444 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0532 7.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4619 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8706 7.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2794 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6881 7.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0968 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5056 7.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9143 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3230 7.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7318 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1405 7.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5493 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9580 7.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4635 9.0288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7096 9.2443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9510 9.0456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5589 9.7247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3129 9.5093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9623 9.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8020 8.9043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3798 9.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1374 9.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0715 9.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3712 9.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6010 9.2751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8470 9.4906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0885 9.2919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6963 9.9710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4503 9.7556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0997 9.9580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9395 9.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5172 9.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6875 10.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2089 9.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5086 10.2326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7332 8.7435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9792 8.9590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2207 8.7603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8286 9.4394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5825 9.2240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2319 9.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0717 8.6190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6495 8.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4071 9.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3412 9.4226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6409 9.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9655 8.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2275 8.2658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6240 8.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8654 8.2119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1115 8.4274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3529 8.2287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9608 8.9078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7147 8.6924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3641 8.8948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2039 8.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7817 8.3818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9520 9.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4734 8.8910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7731 9.1694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9976 7.6803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2437 7.8958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4851 7.6971 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0930 8.3762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8470 8.1608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4964 8.3632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3361 7.5558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9139 7.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6715 8.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6056 8.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9053 8.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2300 7.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4920 7.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8885 7.3903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1299 7.1487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3759 7.3642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6174 7.1655 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2252 7.8446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9792 7.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6286 7.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4684 7.0242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0462 7.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 8.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7378 7.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0375 8.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3859 7.4011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7683 6.9179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4832 6.1874 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7034 6.2693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3208 6.7527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9510 6.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0978 6.7928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0236 5.8153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4276 6.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 7.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9691 7.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1692 6.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 6.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9685 6.3334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0557 7.0242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0628 6.3433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4080 6.1565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7976 5.5781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9325 6.3431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6156 6.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4221 6.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2868 5.6846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0267 5.1909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5873 6.5299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2366 9.6646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6974 10.2339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9433 10.4490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9515 11.2331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4908 10.6639 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2920 11.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6039 9.8942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5296 10.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4648 11.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2449 10.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7838 11.0448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4283 9.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5582 9.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1343 9.9796 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 3 28 2 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 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 97104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 130131 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 129138 1 0 0 0 0 110129 1 0 0 0 0 139140 1 1 0 0 0 141140 1 1 0 0 0 142141 1 1 0 0 0 142143 1 0 0 0 0 143144 1 0 0 0 0 143148 1 0 0 0 0 139148 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 150151 1 0 0 0 0 150152 2 0 0 0 0 89139 1 0 0 0 0 M END > LMISSP0504BF02 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C98H173N5O47 > 2172.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260853 > - > - > Active (generated by computational methods) > - $$$$