Accord 08271317192D 122127 0 0 0 0 0 0 0 0999 V2000 24.2901 7.6522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5854 8.0578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8804 7.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6976 6.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8827 6.9473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1444 6.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1444 5.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4397 6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9690 8.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1925 8.7380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7297 6.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0193 6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3089 6.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5985 6.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8882 6.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1698 8.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4594 7.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7490 8.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0386 7.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3281 8.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6179 7.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9074 8.0577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 7.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8882 5.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1971 6.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4186 6.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6403 6.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8619 6.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0835 6.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3052 6.5052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1167 5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3451 5.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5735 5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8020 5.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0304 5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2588 5.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4873 5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7157 5.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1726 5.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4010 5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6294 5.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8578 5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0863 5.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3147 5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5431 5.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7716 5.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.2328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3555 9.9849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4496 10.2439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5382 10.0052 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0671 10.8210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9730 10.5622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5517 10.8055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5607 9.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8519 10.1891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5607 10.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8844 10.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0431 11.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9162 10.2808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0103 10.5398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0990 10.3010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6278 11.1169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5337 10.8581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1124 11.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1214 10.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4127 10.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6172 11.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4452 11.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6038 11.4313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6194 10.5842 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8774 10.0036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5349 9.1259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5979 9.2243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3397 9.8050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8954 9.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2732 9.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9826 8.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1623 9.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6824 10.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9172 10.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0406 7.8359 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1348 8.0949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2234 7.8561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7523 8.6720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6581 8.4132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2369 8.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2458 7.6864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5371 8.0401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7417 9.0738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5696 8.6519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7282 8.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1183 7.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4330 7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7080 7.4876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9592 12.0262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3114 12.7103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4054 12.9687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4152 13.9108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0631 13.2269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8243 13.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1991 12.3021 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9083 13.4764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8305 13.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9692 12.9684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4152 13.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9881 12.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1441 11.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6348 12.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1859 13.6690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5381 14.3530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6321 14.6115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6419 15.5536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2898 14.8697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0510 15.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4257 13.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1350 15.1192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9029 16.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1958 14.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6419 15.3273 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 69 73 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 2 0 0 0 0 80 84 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 72 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 M END > LMISSP0506AK06 > > GalNAcbeta1-3Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C84H153N3O33 > 1732.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261897 > - > - > Active (generated by computational methods) > - $$$$