Accord 08271317192D 137144 0 0 0 0 0 0 0 0999 V2000 24.3199 7.5359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6448 7.9245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9695 7.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7103 6.8607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9296 6.8607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2224 6.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2224 5.6807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5472 6.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0123 8.5612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2684 8.5761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8671 6.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1865 6.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5060 6.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8254 6.8516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1450 6.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2886 7.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6081 7.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9275 7.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2470 7.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5664 7.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8860 7.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2054 7.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5248 7.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1450 5.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5248 6.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7791 6.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0335 6.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2878 6.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5421 6.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7964 6.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4058 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6666 5.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9275 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1883 5.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4492 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7100 5.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9708 5.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2317 5.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3825 9.7707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5147 10.0188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6416 9.7900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1903 10.5717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0581 10.3237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6546 10.5567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6211 9.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9842 9.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7052 10.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9313 10.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1253 10.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0877 10.0541 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2199 10.3022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3468 10.0735 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8955 10.8551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7633 10.6072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3597 10.8402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3263 9.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6894 10.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8853 11.3635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6365 10.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8304 11.1563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7869 9.4423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9191 9.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0460 9.4616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5947 10.2433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4625 9.9953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0589 10.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0255 9.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3886 9.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1096 9.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3357 10.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5296 10.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9034 9.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2049 8.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5103 9.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4921 9.7257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6243 9.9739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7512 9.7451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2999 10.5267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1677 10.2788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7641 10.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7307 9.5825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0937 9.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2897 11.0351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0409 10.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2348 10.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1913 9.1139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3235 9.3620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4504 9.1332 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9991 9.9149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8669 9.6669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4633 9.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4299 8.9706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7929 9.3095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5139 9.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7401 9.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9340 10.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3077 8.7801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6092 8.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9146 8.7801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8965 9.3973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0287 9.6455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1556 9.4167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7043 10.1983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5720 9.9504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1685 10.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1351 9.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4981 9.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6941 10.7067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4452 10.1790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6392 10.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6174 11.3978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9967 12.0531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1288 12.3007 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1382 13.2032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7589 12.5480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5301 12.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8891 11.6621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6526 12.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5780 13.2091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6269 12.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0962 12.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6870 11.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8365 11.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3486 11.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9605 12.9716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3399 13.6269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4719 13.8745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4813 14.7770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1020 14.1218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8733 14.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2323 13.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9957 14.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7314 15.2198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9700 13.8742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4394 14.5602 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 87113 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 121127 1 0 0 0 0 M END > LMISSP0505AP01 > > Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C88H156N4O43 > 1957.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261092 > - > - > Active (generated by computational methods) > - $$$$