Accord 08271317192D 157165 0 0 0 0 0 0 0 0999 V2000 24.3200 7.5367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6450 7.9253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9697 7.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 6.8616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9297 6.8616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2226 6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2226 5.6818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5475 6.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0125 8.5619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2686 8.5768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8675 6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1870 6.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5065 6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8261 6.8525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1457 6.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2890 7.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6085 7.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9281 7.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2476 7.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5671 7.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8868 7.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2062 7.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5258 7.5367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1457 5.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5258 6.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7802 6.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0346 6.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2890 6.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5434 6.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7979 6.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4066 5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6676 5.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9285 5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1895 5.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4504 5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7113 5.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9723 5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2332 5.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4941 5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7551 5.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0160 5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2769 5.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5379 5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 5.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0598 5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3207 5.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5816 5.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8426 5.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3826 9.7712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5149 10.0193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6419 9.7906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1907 10.5721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0584 10.3242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6549 10.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6213 9.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9846 9.9668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7056 10.2921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9314 10.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1255 10.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0882 10.0546 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2205 10.3027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3476 10.0740 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8963 10.8555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7640 10.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3605 10.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3269 9.9114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6902 10.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8861 11.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6370 10.8362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8311 11.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7878 9.4428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9202 9.6909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0472 9.4622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5959 10.2437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4636 9.9958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0601 10.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0265 9.2996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3898 9.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1108 9.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3367 10.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5307 10.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9044 9.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2059 8.8932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5114 9.1092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4934 9.7263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6258 9.9744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7528 9.7456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3015 10.5272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1692 10.2793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7657 10.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7321 9.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0954 9.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2913 11.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0423 10.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2363 10.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1931 9.1145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3254 9.3626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4524 9.1339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0011 9.9154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8688 9.6675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4653 9.9005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4318 8.9712 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7950 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5161 9.6354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7419 9.8961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9360 10.2165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3096 8.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6111 8.5648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9166 8.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8987 9.3979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0310 9.6460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1580 9.4173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7067 10.1988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5744 9.9509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1709 10.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1374 9.2547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5006 9.5935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6966 10.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4475 10.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6416 10.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6189 11.3982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9984 12.0534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1306 12.3009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1400 13.2033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7606 12.5482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5319 12.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8908 11.6624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6544 12.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5798 13.2092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6284 12.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0979 12.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6887 11.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8382 11.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3503 11.7607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9625 12.9717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3419 13.6269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4741 13.8745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4835 14.7769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1041 14.1218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8754 14.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2343 13.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9979 14.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7335 15.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9720 13.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4414 14.5601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7594 13.2360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3675 12.5573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6094 12.7559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6661 12.5405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2477 13.2193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7442 13.0843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9383 12.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2130 12.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6661 12.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0059 13.0208 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 97123 1 0 0 0 0 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 131137 1 0 0 0 0 148149 1 1 0 0 0 149150 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 148157 1 0 0 0 0 143148 1 0 0 0 0 M END > LMSP0505CL06 > > Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C104H186N4O47 > 2243.23 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261481 > - > - > Active (generated by computational methods) > - $$$$