Accord 08271317192D 169179 0 0 0 0 0 0 0 0999 V2000 24.4115 7.1935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8272 7.5298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2428 7.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7493 6.6092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0737 6.6092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4617 6.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4617 5.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8774 6.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1453 8.0808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5015 8.0937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2888 6.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6999 6.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1110 6.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5220 6.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9332 6.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6537 7.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0647 7.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4758 7.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8869 7.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2979 7.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7091 7.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1201 7.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5312 7.1935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9332 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5312 6.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8858 6.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2406 6.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5953 6.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9500 6.6152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3047 6.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2935 5.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6539 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0142 5.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3746 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7349 5.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0953 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4556 5.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8160 5.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4657 9.1274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7147 9.3422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9591 9.1442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5686 9.8206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3195 9.6061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9703 9.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8068 9.0035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3902 9.2967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1487 9.5783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0752 9.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3777 10.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6144 9.3728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8634 9.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1079 9.3895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7173 10.0659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4683 9.8514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1191 10.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9555 9.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5389 9.5420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7085 10.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2239 10.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5264 10.3265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7580 8.8433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0070 9.0580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2514 8.8600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8609 9.5364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6118 9.3219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2626 9.5235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0991 8.7193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6825 9.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4411 9.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3675 9.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6700 9.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9934 8.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2543 8.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6532 8.5545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9067 9.0886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1558 9.3033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4002 9.1053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0096 9.7817 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7606 9.5672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4114 9.7688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2478 8.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8312 9.2578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0008 10.2217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5162 9.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8187 10.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0503 8.5591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2993 8.7738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5438 8.5758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1532 9.2522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9042 9.0377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5549 9.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3914 8.4351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9748 8.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7334 9.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6598 9.2355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9623 9.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2857 8.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5466 8.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9455 8.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1990 8.8044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4481 9.0191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6925 8.8211 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3019 9.4975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0529 9.2830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7037 9.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5401 8.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1236 8.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2931 9.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8085 9.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1110 9.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 9.0558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8507 8.5745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5668 7.8469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7900 7.9285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4050 8.4099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0367 8.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1789 8.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1090 7.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 8.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6891 9.1376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0547 8.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2844 10.5356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7473 11.1026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9962 11.3169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0043 12.0979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5415 11.5309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3435 11.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 10.7643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5841 11.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5196 12.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2926 11.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8334 11.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4792 10.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6086 10.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1864 10.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9852 11.8975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4482 12.4645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6970 12.6788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7052 13.4598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2423 12.8928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0444 13.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3550 12.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2849 13.0997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9215 13.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9934 12.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5342 13.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9440 12.1262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6048 11.5388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9487 11.7107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1322 11.5243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6357 12.1117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1999 11.9949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0989 11.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6056 11.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1322 11.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2918 11.9399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8687 10.4087 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 19.1131 10.2113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5635 9.6563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8830 10.0397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6386 10.2372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2354 10.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3647 9.9666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9962 9.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6515 10.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1883 10.7922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4467 10.6758 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 109113 1 0 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 127126 1 1 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 128133 1 0 0 0 0 124133 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 135136 1 0 0 0 0 135137 2 0 0 0 0 87124 1 0 0 0 0 138139 1 1 0 0 0 140139 1 1 0 0 0 141140 1 1 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 142147 1 0 0 0 0 138147 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 143148 1 0 0 0 0 132138 1 0 0 0 0 149150 1 1 0 0 0 150151 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 150155 1 0 0 0 0 151156 1 0 0 0 0 152157 1 0 0 0 0 149158 1 0 0 0 0 144149 1 0 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 162161 1 1 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 163168 1 0 0 0 0 159168 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 164169 1 0 0 0 0 62159 1 0 0 0 0 M END > LMISSP0505ED01 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C106H186N4O57 > 2427.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261756 > - > - > Active (generated by computational methods) > - $$$$