Accord 08271317192D 169178 0 0 0 0 0 0 0 0999 V2000 24.5493 6.6810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1018 6.9386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6542 6.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8080 6.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2906 6.2335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8218 5.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8218 5.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3744 6.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3454 7.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8524 7.3704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9236 5.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4725 6.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0215 5.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5704 6.2275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1195 5.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2030 6.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7519 6.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3009 6.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8499 6.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3987 6.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9478 6.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4967 6.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0457 6.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1195 5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0457 6.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5514 5.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0573 6.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5630 5.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0688 6.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5746 5.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6296 5.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1397 5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6498 5.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1599 5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6700 5.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1801 5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6902 5.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2003 5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7104 5.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2205 5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7306 5.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2407 5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7508 5.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2610 5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7711 5.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2812 5.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5908 8.1621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0156 8.3266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4370 8.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1378 8.6930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7130 8.5287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4455 8.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0861 8.0672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0012 8.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8163 8.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2917 8.6802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7575 8.8926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4070 8.3500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8319 8.5145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2532 8.3628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9541 8.8809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5293 8.7166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2618 8.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9024 8.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8175 8.4796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9474 9.2178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1080 8.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5738 9.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2194 7.9445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6442 8.1089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0656 7.9573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7664 8.4754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3416 8.3110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0741 8.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7147 7.8495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6298 8.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4449 8.2897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9203 8.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3861 8.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6338 7.7233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8336 7.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3733 7.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0357 8.1323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4605 8.2968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8819 8.1452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5827 8.6632 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1579 8.4989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8904 8.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5310 8.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4461 8.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5760 9.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7366 8.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2024 8.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8480 7.7268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2728 7.8913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6942 7.7397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3951 8.2577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9702 8.0934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7027 8.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3434 7.6319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2584 7.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0735 8.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5489 8.2449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0147 8.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2624 7.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4622 7.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0019 7.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6643 7.9147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0891 8.0791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5105 7.9275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2113 8.4456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7865 8.2812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5190 8.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1597 7.8197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0747 8.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2046 8.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3652 8.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8310 8.6452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4766 7.5092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9015 7.6736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3228 7.5220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0237 8.0400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5988 7.8757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3314 8.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9720 7.4142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8870 7.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7021 7.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1775 8.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6433 8.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8910 7.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0908 7.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6305 7.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2929 7.6970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7178 7.8615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1391 7.7099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8400 8.2279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4151 8.0636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1476 8.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7883 7.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7033 7.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8332 8.5649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9938 8.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4596 8.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1052 7.2915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5301 7.4560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9514 7.3044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6523 7.8224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2274 7.6581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9600 7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6006 7.1966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5157 7.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 7.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8062 7.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2719 8.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5196 7.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 6.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2591 7.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3834 7.5758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3888 7.0564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8893 6.9139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4237 6.4727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5265 7.0562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2848 6.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6628 7.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7968 6.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5984 6.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0261 7.1988 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 128160 1 0 0 0 0 M END > LMISSP0505CC05 > > GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C110H195N5O52 > 2418.28 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261408 > - > - > Active (generated by computational methods) > - $$$$