Accord 08271317192D 149157 0 0 0 0 0 0 0 0999 V2000 24.4693 6.9790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9424 7.2823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4154 6.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7739 6.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1647 6.4521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9964 7.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6128 6.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6128 5.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0859 6.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2293 7.7791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6487 7.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5551 6.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0241 6.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4930 6.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9619 6.4450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4309 6.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8841 7.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3531 6.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8220 7.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2909 6.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7598 7.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2288 6.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6977 7.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1666 6.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4309 5.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1666 6.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5847 6.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0028 6.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4209 6.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8389 6.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2571 6.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8541 5.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2773 5.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7005 5.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1236 5.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5468 5.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9700 5.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3932 5.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8164 5.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2396 5.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6627 5.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5181 8.7229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8410 8.9166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1596 8.7380 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8074 9.3480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4846 9.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1697 9.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9240 8.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6465 8.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4288 9.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1660 9.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5370 9.5830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9470 8.9441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2698 9.1378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5884 8.9593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2362 9.5692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9134 9.3757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5985 9.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3528 8.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0754 9.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2283 9.9660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5948 9.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9658 9.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3711 8.4667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6939 8.6603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0126 8.4818 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6604 9.0917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3376 8.8982 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0227 9.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7770 8.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4995 8.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2818 8.8732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0190 9.0767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3900 9.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6816 8.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9169 8.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3749 8.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7999 8.6879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1228 8.8815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4414 8.7030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0892 9.3129 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7664 9.1195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4515 9.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2058 8.5761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9284 8.8405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0813 9.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4478 9.2979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8188 9.5479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2241 8.2104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5469 8.4040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8656 8.2255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5134 8.8355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1906 8.6420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8757 8.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6299 8.0986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3525 8.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1348 8.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8720 8.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2430 9.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5346 7.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7699 7.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2279 7.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 8.4316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9757 8.6252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2944 8.4467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9422 9.0567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6194 8.8632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3045 9.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 8.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7813 8.5842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9343 9.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3008 9.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6718 9.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1883 8.6584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6336 8.2243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3775 7.5682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6770 7.6417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2316 8.0759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8994 7.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9295 8.1119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9647 7.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4294 7.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4878 8.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9157 8.3701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9937 7.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2683 8.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8134 7.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2604 6.6038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5832 6.7974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9019 6.6189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5497 7.2289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2269 7.0354 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9120 7.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6663 6.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3888 6.7564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5418 7.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9083 7.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 7.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6881 8.3198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6945 7.7082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1063 7.5405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5581 7.0209 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6793 7.7080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3946 7.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0172 8.0378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9975 7.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7638 6.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2674 7.8758 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 122129 1 0 0 0 0 140141 1 1 0 0 0 141142 1 1 0 0 0 143142 1 1 0 0 0 143144 1 0 0 0 0 144145 1 0 0 0 0 144149 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 140149 1 0 0 0 0 110140 1 0 0 0 0 M END > LMISSP0505AW02 > > Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C96H170N4O47 > 2131.10 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261149 > - > - > Active (generated by computational methods) > - $$$$