Accord 08271317192D 169178 0 0 0 0 0 0 0 0999 V2000 24.4089 7.2026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8221 7.5404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2351 7.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0696 6.6157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4549 6.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4549 5.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8681 6.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1415 8.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4949 8.1068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2769 6.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6854 6.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0938 6.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5023 6.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9109 6.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6433 7.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0518 7.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4603 7.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8688 7.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2771 7.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6858 7.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0942 7.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5027 7.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9109 5.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5027 6.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8545 6.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2064 6.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5583 6.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9101 6.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2620 6.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2684 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6259 5.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9835 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3410 5.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6985 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0561 5.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4136 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7711 5.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1287 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4862 5.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8437 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2013 5.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5588 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9163 5.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2739 5.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6314 5.5627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4633 9.1451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7090 9.3607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9501 9.1619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5579 9.8413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3121 9.6258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9614 9.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8015 9.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3787 9.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1362 9.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0711 9.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3705 10.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5995 9.3915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8452 9.6071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0863 9.4083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6940 10.0877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4483 9.8722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0976 10.0747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9377 9.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5149 9.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6852 10.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2073 10.0709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5067 10.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7305 8.8596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9762 9.0753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2173 8.8765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8250 9.5559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5793 9.3404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2285 9.5429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0687 8.7351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6459 9.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4034 9.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3383 9.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6377 9.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9625 8.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2246 8.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6208 8.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8667 9.1060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1124 9.3217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3535 9.1229 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9612 9.8022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7155 9.5867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3647 9.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2049 8.9815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7820 9.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9524 10.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4745 9.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7739 10.0640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9976 8.5742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2434 8.7899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4845 8.5910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0922 9.2704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8465 9.0549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4957 9.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3359 8.4497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9130 8.7442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6705 9.0270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6054 9.2537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9048 9.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2297 8.2841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4917 8.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8880 8.2841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1338 8.8206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3796 9.0362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6207 8.8374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2284 9.5168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9827 9.3013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6319 9.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4720 8.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0492 8.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2196 9.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7416 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0410 9.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3887 9.0732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7708 8.5897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4856 7.8589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7054 7.9408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3231 8.4244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9531 8.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1004 8.4645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0258 7.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4296 8.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6085 9.1552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9713 8.7521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1719 8.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4778 8.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9711 8.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2372 10.5594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6977 11.1290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9433 11.3441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9515 12.1286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4910 11.5591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2922 11.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6042 10.7891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5294 11.7669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4646 12.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2454 11.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7842 11.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4285 10.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5584 10.4057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1344 10.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9279 11.9273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3885 12.4969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6340 12.7120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6422 13.4965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1817 12.9271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9829 13.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2949 12.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2201 13.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8595 13.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9361 12.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4749 13.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8821 12.1570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5414 11.5671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8824 11.7397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0623 11.5525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5680 12.1425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1303 12.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0376 11.7001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5378 11.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0623 11.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2270 11.9699 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 141146 1 0 0 0 0 146147 1 0 0 0 0 146148 2 0 0 0 0 95135 1 0 0 0 0 149150 1 1 0 0 0 151150 1 1 0 0 0 152151 1 1 0 0 0 152153 1 0 0 0 0 153154 1 0 0 0 0 153158 1 0 0 0 0 149158 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 152157 1 0 0 0 0 154159 1 0 0 0 0 143149 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 155160 1 0 0 0 0 M END > LMISSP0505EF05 > > GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C110H195N5O52 > 2418.28 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261776 > - > - > Active (generated by computational methods) > - $$$$