Accord 08271317192D 169178 0 0 0 0 0 0 0 0999 V2000 24.3769 7.3217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7583 7.6777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1396 7.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7345 6.7030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0193 6.7030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 6.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 5.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7527 6.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0951 8.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4135 8.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1295 6.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5060 6.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8825 6.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2590 6.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6355 6.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5158 7.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8923 7.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2687 7.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6452 7.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0216 7.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3982 7.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7746 7.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1511 7.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6355 5.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1511 6.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4679 6.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7847 6.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1015 6.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4182 6.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7351 6.3149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9583 5.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2810 5.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6038 5.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9266 5.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2494 5.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5721 5.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8949 5.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2177 5.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5404 5.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8632 5.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1860 5.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5087 5.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8315 5.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1543 5.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4771 5.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7998 5.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4343 9.3692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6392 9.5965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8392 9.3869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4257 10.1031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2208 9.8759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8511 10.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7367 9.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2369 9.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9812 9.8465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0208 10.0854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2823 10.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4155 9.6289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6204 9.8562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8205 9.6467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4070 10.3628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2020 10.1356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8323 10.3491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7179 9.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2181 9.8081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3976 10.8286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0021 10.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2636 10.6387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3912 9.0683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5962 9.2956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7962 9.0861 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3827 9.8022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1778 9.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8080 9.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6936 8.9370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1938 9.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9382 9.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9778 9.7845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2393 10.0781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5817 8.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8580 8.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2216 8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3725 9.3280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5774 9.5554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7774 9.3458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3639 10.0619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1590 9.8347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7893 10.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6749 9.1968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1751 9.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3546 10.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9590 10.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2205 10.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6548 10.8600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8597 11.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0598 10.8778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6463 11.5939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4413 11.3668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0716 11.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9572 10.7288 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4574 11.0392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2018 11.3373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 11.5763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5029 11.8698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8453 10.5543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1215 10.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4851 10.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6360 11.1197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8410 11.3471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0410 11.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6275 11.8536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4226 11.6265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0528 11.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9384 10.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4386 11.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 12.3195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2226 11.8360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4841 12.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5033 10.9885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1441 10.3666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4495 10.5486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5851 10.3512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1181 10.9732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6567 10.8495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6672 10.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0862 10.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5851 9.8768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8128 10.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7423 11.3860 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9423 11.1769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3604 10.5893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6399 10.9953 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4399 11.2044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0130 11.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2087 10.9179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 10.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4524 11.2941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0219 11.7920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2368 11.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2012 10.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5397 10.6810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8912 10.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3482 8.7674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5482 8.5584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9662 7.9708 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2458 8.3767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0458 8.5859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6189 8.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8146 8.2993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3656 7.8030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9938 7.9295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6278 9.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8427 9.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8071 8.0922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1456 8.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4971 7.9088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4281 7.7119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8594 8.3123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0642 8.5391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0728 9.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6415 8.7658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4319 9.1378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7608 7.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 8.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3019 9.7717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4368 8.5389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9506 9.1674 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 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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 122123 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 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 116121 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 142143 1 0 0 0 0 142144 2 0 0 0 0 117131 1 0 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 145154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 156157 1 0 0 0 0 156158 2 0 0 0 0 92145 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 153159 1 0 0 0 0 M END > LMISSP0505EI07 > > Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-6(Galbeta1-4GlcNAcbeta1-3)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] > - > > - > - > - > - > - > - > - > - > - > 44261802 > - > - > Active (generated by computational methods) > - $$$$