Accord 08271317192D 147154 0 0 0 0 0 0 0 0999 V2000 24.4887 6.9087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9811 7.2009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4734 6.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7822 6.4011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1952 6.4011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9965 7.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6635 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6635 5.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1560 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2575 7.6795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6982 7.6908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6446 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1329 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6213 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1096 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5981 6.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9615 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4499 6.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9383 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4266 6.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9149 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4034 6.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8917 7.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3800 6.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5981 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3800 6.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8194 6.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2588 6.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6982 6.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1375 6.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5769 6.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0424 5.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4866 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9309 5.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3752 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8195 5.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2638 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7081 5.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1524 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5966 5.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0409 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4852 5.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9295 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3738 5.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8181 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2624 5.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7066 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1509 5.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5952 5.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.7674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5358 8.5889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8834 8.7754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2269 8.6034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8876 9.1911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5400 9.0047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2367 9.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9633 8.4812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7326 8.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5229 8.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1965 9.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5905 9.4175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0587 8.8020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4062 8.9885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7498 8.8165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4105 9.4042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0629 9.2178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7595 9.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4862 8.6943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2555 8.9490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4029 9.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7194 9.3897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1134 9.6306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5771 8.3420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9246 8.5285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2682 8.3565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9289 8.9442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5813 8.7578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2779 8.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0046 8.2343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7739 8.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5642 8.7336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2378 8.9297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6318 9.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9128 8.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1395 7.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6173 8.0911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0999 8.5551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4475 8.7416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7911 8.5696 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4518 9.1573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1042 8.9709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8008 9.1461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5275 8.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2968 8.7021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4442 9.5395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7607 9.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1547 9.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6183 8.0951 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9659 8.2816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3095 8.1096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9702 8.6973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6226 8.5109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3192 8.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0459 7.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8152 8.2421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6055 8.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2791 8.6828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6731 8.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9541 7.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1808 7.6818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6585 7.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1412 8.3082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4888 8.4947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8324 8.3227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4931 8.9104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1455 8.7240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8421 8.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5688 8.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3381 8.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4854 9.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8020 8.8959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1960 9.1368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6596 7.8482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0072 8.0347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3508 7.8627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0115 8.4504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6639 8.2640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3605 8.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0872 7.7405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8565 7.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6467 8.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3204 8.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7144 8.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9954 7.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2220 7.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6998 7.5973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1825 8.0613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5301 8.2478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8737 8.0759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5344 8.6635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1868 8.4771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8834 8.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 7.9536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3794 8.2083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5267 9.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8433 8.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2373 8.8899 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 119123 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 M END > LMISSP0505BE06 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C98H176N4O43 > 2097.17 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261217 > - > - > Active (generated by computational methods) > - $$$$