Accord 08271317192D 167176 0 0 0 0 0 0 0 0999 V2000 24.5493 6.6808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1018 6.9384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6542 6.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8080 6.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2905 6.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8218 5.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8218 5.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3743 6.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3454 7.3603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8523 7.3702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9235 5.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4725 6.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0214 5.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5703 6.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1193 5.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2029 6.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7519 6.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3008 6.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8498 6.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3986 6.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9477 6.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4966 6.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0455 6.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1193 5.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0455 6.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5513 5.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0571 6.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5628 5.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0686 6.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5744 5.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6294 5.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1395 5.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6496 5.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1597 5.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6698 5.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1799 5.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6900 5.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2001 5.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7102 5.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2203 5.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7304 5.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2405 5.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7506 5.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2607 5.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5907 8.1620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0156 8.3264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4369 8.1748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1378 8.6929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7129 8.5285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4455 8.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0861 8.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0011 8.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8162 8.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2917 8.6801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7574 8.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4070 8.3498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8318 8.5143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2531 8.3627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9540 8.8807 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5292 8.7164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2617 8.8709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9023 8.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8174 8.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9473 9.2177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1079 8.8680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5737 9.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2192 7.9443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6441 8.1088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0654 7.9571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7663 8.4752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3414 8.3109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0740 8.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7146 7.8494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6296 8.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4447 8.2896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9202 8.4624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3859 8.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6336 7.7231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8335 7.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3731 7.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0355 8.1322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4603 8.2966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8816 8.1450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5825 8.6631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1577 8.4987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8902 8.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5308 8.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4459 8.2618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5758 9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7364 8.6503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2022 8.8627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8477 7.7266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2726 7.8911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6939 7.7395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3948 8.2575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9699 8.0932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7025 8.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3431 7.6317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2581 7.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0732 8.0719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5487 8.2448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0144 8.4571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2621 7.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4620 7.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0016 7.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6640 7.9145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0888 8.0790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5101 7.9274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2110 8.4454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7861 8.2811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5187 8.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1593 7.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0744 8.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2043 8.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3649 8.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8307 8.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4762 7.5090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9011 7.6734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3224 7.5218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0233 8.0399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5984 7.8755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3309 8.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9716 7.4140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8866 7.6386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7017 7.8543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1772 8.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6429 8.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8906 7.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0905 7.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6301 7.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2925 7.6969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7173 7.8613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1386 7.7097 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8395 8.2278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4146 8.0634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1472 8.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7878 7.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7029 7.8265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8327 8.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9934 8.2150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4592 8.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1047 7.2913 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5296 7.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9509 7.3042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6517 7.8222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2269 7.6579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9594 7.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6001 7.1964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5151 7.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3302 7.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8056 7.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2714 8.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5191 7.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7189 6.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2586 7.0701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3829 7.5757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3883 7.0562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8888 6.9137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4232 6.4725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5261 7.0560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2843 6.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6624 7.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7964 6.5537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5979 6.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0256 7.1986 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 130131 1 0 0 0 0 130132 2 0 0 0 0 115119 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 127133 1 0 0 0 0 144145 1 1 0 0 0 146145 1 1 0 0 0 147146 1 1 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 148153 1 0 0 0 0 144153 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 155156 1 0 0 0 0 155157 2 0 0 0 0 140144 1 0 0 0 0 158159 1 1 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 162167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 158167 1 0 0 0 0 126158 1 0 0 0 0 M END > LMSP0505CC04 > > GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C108H191N5O52 > 2390.25 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261407 > - > - > Active (generated by computational methods) > - $$$$