Accord 08271317192D 121126 0 0 0 0 0 0 0 0999 V2000 22.2105 7.8125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4620 8.2434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7132 7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6432 7.0639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7777 7.0639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9593 8.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9936 6.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9936 5.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2451 7.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8695 8.9492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0447 8.9657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4910 6.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7365 7.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9820 6.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2274 7.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4730 6.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9584 8.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2039 7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4494 8.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6948 7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9402 8.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1859 7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4313 8.2432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6768 7.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4730 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6768 7.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8500 6.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0233 7.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1966 6.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3698 7.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5431 6.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6535 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8340 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0145 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1950 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3755 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5560 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7365 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9170 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0975 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2780 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4585 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6390 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8195 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9645 10.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2799 10.2902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3178 10.5653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3498 10.3116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8494 11.1782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8115 10.9033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3641 11.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4357 10.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6209 10.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3115 10.8677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7796 11.1568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8860 11.5121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6269 10.6044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6648 10.8795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6968 10.6259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1964 11.4925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1586 11.2176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7112 11.4760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7828 10.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9679 10.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1852 12.0562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1267 11.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2330 11.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1253 10.9266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3372 10.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9734 9.3778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9783 9.4822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7662 10.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2942 9.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7577 10.1503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3869 8.9029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5156 9.8045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1302 11.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3174 10.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3864 8.0076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4243 8.2827 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4563 8.0291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9559 8.8957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9180 8.6208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4706 8.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5422 7.8488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7273 8.2245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9446 9.3225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8861 8.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9924 9.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4068 7.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7411 7.3982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9710 7.6377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8848 8.3298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0966 7.7132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7329 6.7810 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7377 6.8854 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5256 7.5023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0537 7.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5171 7.5535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1463 6.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3858 7.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8896 8.4345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0768 7.9203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6083 7.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9985 7.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3522 6.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5484 12.4583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8604 13.1848 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8981 13.4593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9085 14.4599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5966 13.7335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3430 14.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7410 12.7513 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3701 13.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2874 14.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5590 13.4589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9706 14.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5169 12.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6827 12.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1418 12.8603 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 65 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 87 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 119120 1 0 0 0 0 119121 2 0 0 0 0 68108 1 0 0 0 0 M END > LMISSP0506AL04 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C82H148N4O33 > 1717.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261903 > - > - > Active (generated by computational methods) > - $$$$