Accord 08271317192D 169178 0 0 0 0 0 0 0 0999 V2000 24.4089 7.2025 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8221 7.5403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2351 7.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7482 6.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0696 6.6156 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4549 6.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4549 5.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8680 6.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1415 8.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4949 8.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2768 6.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6853 6.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0938 6.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5022 6.6078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9108 6.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6433 7.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0517 7.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4602 7.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8687 7.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2771 7.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6857 7.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0941 7.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5025 7.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9108 5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5025 6.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8544 6.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2063 6.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5581 6.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9099 6.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2618 6.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2683 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6258 5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9833 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3409 5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6984 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0559 5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4134 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7709 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1285 5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4860 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8435 5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2010 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5585 5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9161 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2736 5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6311 5.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4633 9.1450 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 9.1618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5578 9.8412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3121 9.6257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9613 9.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8015 9.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3786 9.3150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1361 9.5978 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 21.5994 9.3914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8451 9.6070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0862 9.4082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6940 10.0876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4482 9.8721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0975 10.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9376 9.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5148 9.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6851 10.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2072 10.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5066 10.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7304 8.8595 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9761 9.0752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2172 8.8764 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8249 9.5558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5792 9.3403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2284 9.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0686 8.7350 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6457 9.0296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4032 9.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3381 9.5390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6375 9.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9624 8.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2244 8.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6207 8.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8665 9.1059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1122 9.3216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3533 9.1228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9610 9.8022 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7153 9.5867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3645 9.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2047 8.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7818 9.2759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9522 10.2441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4743 9.7854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7737 10.0639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9974 8.5741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2431 8.7898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4842 8.5909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0919 9.2703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8462 9.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4955 9.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3356 8.4496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9128 8.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6703 9.0269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6052 9.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9046 9.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2294 8.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4915 8.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8878 8.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1335 8.8205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3793 9.0362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6204 8.8373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2281 9.5167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9824 9.3012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6316 9.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 8.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0489 8.9905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2192 9.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7413 9.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0407 9.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3883 9.0731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7705 8.5896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4853 7.8588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7051 7.9407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3228 8.4243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9528 8.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1001 8.4644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0254 7.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 8.1303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6081 9.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9709 8.7520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1716 8.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 8.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9708 8.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2370 10.5593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6975 11.1289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9431 11.3441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9513 12.1286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4908 11.5591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2919 11.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6040 10.7890 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5292 11.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4643 12.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2452 11.3438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7840 11.9402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4283 10.7006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5582 10.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1342 10.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9276 11.9273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3882 12.4968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6338 12.7120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6419 13.4965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1814 12.9270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9826 13.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2947 12.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2198 13.1348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8593 13.8814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9359 12.7118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4747 13.3081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8818 12.1570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5411 11.5670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8821 11.7397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0620 11.5524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5677 12.1425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1300 12.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0374 11.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 11.3950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0620 11.1023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2268 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 2 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 > LMISSP0505EF07 > > GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C110H193N5O52 > 2416.26 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261778 > - > - > Active (generated by computational methods) > - $$$$