Accord 08271317182D 146153 0 0 0 0 0 0 0 0999 V2000 24.2753 7.2090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5564 7.6228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8376 7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6908 6.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8598 6.4902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9944 7.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1068 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1068 5.2340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3879 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9478 8.3006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1558 8.3165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6639 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9393 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2148 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4903 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7658 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0413 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3167 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5923 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8677 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1432 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4187 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6942 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9697 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2452 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5206 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7962 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0716 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3471 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6226 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8980 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1736 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4490 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7246 6.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1127 7.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3881 7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6636 7.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9391 7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2146 7.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4901 7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7655 7.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0411 7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3165 7.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5921 7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8675 7.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1429 7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4185 7.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6939 7.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3420 9.5903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4173 9.8547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4869 9.6109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0061 10.4438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9307 10.1796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5007 10.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5306 9.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7863 9.7987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4891 10.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8611 10.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0022 10.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8311 9.8923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9064 10.1567 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9761 9.9130 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4952 10.7459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4198 10.4817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9898 10.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0198 9.7397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2755 10.1008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4843 11.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3503 10.7253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4914 11.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9782 11.9962 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.0535 12.2606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1232 12.0168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6423 12.8497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5669 12.5855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1369 12.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1669 11.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4226 12.2046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6314 13.3914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4974 12.8291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6385 13.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4610 11.3442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5363 11.6086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6060 11.3648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1250 12.1977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0497 11.9335 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6197 12.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6497 11.1915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9054 11.5526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1142 12.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9802 12.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1213 12.5186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5195 10.9886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8408 10.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1006 10.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0956 11.6538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3381 11.0612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9885 10.1652 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0320 10.2656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7893 10.8585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3357 10.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7422 10.9077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4248 9.7088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6939 10.4981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1391 11.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9866 11.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8299 10.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2049 10.8078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5837 10.3443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9735 13.1384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3122 13.8366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3873 14.1004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3973 15.0621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0587 14.3640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8150 14.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1975 13.4200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8799 14.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5967 15.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9836 14.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4182 14.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9821 13.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1414 12.9499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6215 13.5247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9182 13.7583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9936 14.0227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0632 13.7789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5823 14.6118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5070 14.3476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0770 14.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1069 13.6056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3626 13.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5715 15.1535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4374 14.5912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5785 14.9327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6008 13.6056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6095 12.7705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8064 12.5415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0579 11.8321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2233 12.7702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8346 12.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0501 13.2206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6578 11.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3388 11.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0264 12.9994 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 2 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 70 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 91 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 118123 1 0 0 0 0 123124 1 0 0 0 0 123125 2 0 0 0 0 81112 1 0 0 0 0 126127 1 1 0 0 0 128127 1 1 0 0 0 129128 1 1 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 130135 1 0 0 0 0 126135 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 131136 1 0 0 0 0 119126 1 0 0 0 0 137138 1 1 0 0 0 138139 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 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 137146 1 0 0 0 0 132137 1 0 0 0 0 M END > LMISSP0502AV08 > > GalNAcalpha1-3GalNAcbeta1-3(Fucalpha1-2Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C98H174N4O42 > 2079.16 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260339 > - > - > Active (generated by computational methods) > - $$$$