Accord 08271317192D 169178 0 0 0 0 0 0 0 0999 V2000 24.5406 6.7123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0845 6.9748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6283 6.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8043 6.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2769 6.2561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7992 5.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7992 5.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3431 6.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3328 7.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8303 7.4149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8836 5.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4239 6.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9642 5.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5045 6.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0448 5.9866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1684 6.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7087 6.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2490 6.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7893 6.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3295 6.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8699 6.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4101 6.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9504 6.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0448 5.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9504 6.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4467 5.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9430 6.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4392 5.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9355 6.2608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4318 5.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5455 5.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0462 5.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5469 5.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0476 5.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5483 5.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0490 5.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5496 5.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0503 5.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5510 5.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0517 5.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5524 5.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0531 5.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5538 5.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0544 5.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5551 5.1495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0558 5.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5829 8.2219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9967 8.3895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4069 8.2350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1020 8.7630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6882 8.5955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4156 8.7529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0686 8.1251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9628 8.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7743 8.5738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2781 8.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7336 8.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3572 8.4134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7710 8.5810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1812 8.4265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8763 8.9545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4625 8.7870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1899 8.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8429 8.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7371 8.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8695 9.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0524 8.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5079 9.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1274 8.0001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5412 8.1677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9515 8.0131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6466 8.5411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2328 8.3737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9602 8.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6131 7.9033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5073 8.1322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3189 8.3520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8226 8.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2781 8.7446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5306 7.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7343 7.6287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2651 7.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9017 8.1915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3155 8.3592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7257 8.2046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4209 8.7326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0071 8.5651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7345 8.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3874 8.0948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2816 8.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4140 9.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5969 8.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0524 8.9361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6720 7.7782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0858 7.9458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4960 7.7913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1911 8.3193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7773 8.1518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5047 8.3092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1577 7.6814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0519 7.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8634 8.1301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3672 8.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8227 8.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0751 7.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2788 7.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8096 7.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4463 7.9697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8601 8.1373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2703 7.9828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9654 8.5108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5516 8.3433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2790 8.5007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9320 7.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 8.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9586 8.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1415 8.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5970 8.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2166 7.5564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6304 7.7240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0406 7.5695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7357 8.0975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3219 7.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0493 8.0874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7022 7.4596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5964 7.6885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4080 7.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9117 8.0844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3673 8.3009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6197 7.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8234 7.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3542 7.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9909 7.7479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4047 7.9155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8149 7.7610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5100 8.2890 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0962 8.1215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8236 8.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4765 7.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3707 7.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5031 8.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6860 8.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1416 8.4924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8574 7.9442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3772 7.5684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1555 7.0005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5492 7.0641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0292 7.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7417 7.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6333 7.4712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7982 6.7111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3348 7.2115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2510 8.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7558 7.6947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6889 7.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9267 7.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5329 7.1140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1557 7.6511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1612 7.1217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6521 6.9765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1775 6.5268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2824 7.1215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0360 6.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4405 7.4070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5579 6.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3556 6.2257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7915 7.2668 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 129135 1 0 0 0 0 146147 1 1 0 0 0 148147 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 146155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 151156 1 0 0 0 0 152157 1 0 0 0 0 157158 1 0 0 0 0 157159 2 0 0 0 0 142146 1 0 0 0 0 160161 1 1 0 0 0 161162 1 1 0 0 0 163162 1 1 0 0 0 163164 1 0 0 0 0 164165 1 0 0 0 0 164169 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 163168 1 0 0 0 0 160169 1 0 0 0 0 141160 1 0 0 0 0 M END > LMISSP0505CT05 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C110H195N5O52 > 2418.28 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261536 > - > - > Active (generated by computational methods) > - $$$$