Accord 08271317182D 136142 0 0 0 0 0 0 0 0999 V2000 24.4094 8.1908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8235 8.5281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2374 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 7.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0707 7.6049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 8.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4569 7.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4569 6.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8710 7.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1425 9.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4969 9.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2808 7.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6902 7.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0996 7.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5091 7.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9185 7.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3279 7.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7374 7.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1468 7.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5562 7.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9656 7.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3751 7.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3827 6.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9739 6.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9815 5.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3926 5.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8004 5.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2115 5.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6192 5.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0304 5.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4380 5.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8493 5.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2569 5.5357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6681 5.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0758 5.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6466 8.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0561 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4655 8.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8749 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2843 8.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6938 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1032 8.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5126 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9221 8.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3315 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7409 8.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1503 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5598 8.5280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9692 8.1908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.3379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4637 10.1317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7101 10.3472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9518 10.1485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5598 10.8273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3135 10.6120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9630 10.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8025 10.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3808 10.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1385 10.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0719 10.8106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3718 11.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6022 10.3779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8486 10.5934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0903 10.3947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6984 11.0735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4520 10.8582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1015 11.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9410 10.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5193 10.5477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6895 11.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2104 11.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5103 11.3351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7356 9.8465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9819 10.0620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2236 9.8633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8317 10.5421 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5853 10.3268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2348 10.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0743 9.7221 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6526 10.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4103 10.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3437 10.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6436 10.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9682 9.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2301 9.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6268 9.5567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8689 9.3151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1152 9.5306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3569 9.3319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9650 10.0107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7186 9.7954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3682 9.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2076 9.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7859 9.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9561 10.4523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4770 9.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7770 10.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0022 8.7837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2485 8.9992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4902 8.8005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0983 9.4794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8519 9.2640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5015 9.4664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3409 8.6593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9192 8.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6769 9.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6103 9.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9103 9.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2348 8.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4967 8.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8934 8.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1355 8.2523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3818 8.4678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6236 8.2691 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2316 8.9480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9852 8.7326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6348 8.9350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4742 8.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0526 8.4222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2228 9.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7436 8.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0436 9.2095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 8.5047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7752 8.0216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4902 7.2914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7107 7.3732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3279 7.8565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9582 7.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1045 7.8966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0308 6.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4350 7.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6130 8.5867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9763 8.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 7.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4816 7.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9753 7.4373 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 16 17 1 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 24 25 1 0 0 0 0 25 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 31 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 3 36 2 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 80 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 105112 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 119123 1 0 0 0 0 M END > LMISSP0504AO06 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C92H166N4O38 > 1935.12 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260729 > - > - > Active (generated by computational methods) > - $$$$