Accord 08271317182D 140147 0 0 0 0 0 0 0 0999 V2000 22.0748 7.3427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3122 7.7817 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5495 7.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5155 6.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6340 6.5801 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8376 7.7830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8352 6.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8352 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0726 6.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7274 8.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8872 8.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3044 6.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5358 6.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7672 6.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9987 6.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2299 6.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4613 6.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6928 6.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9241 6.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1556 6.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3868 6.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6183 6.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8496 6.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0810 6.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3123 6.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 6.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7752 6.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0065 6.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2379 6.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7805 7.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0120 7.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2433 7.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4748 7.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7060 7.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9375 7.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1688 7.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4002 7.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6315 7.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8630 7.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0944 7.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3257 7.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5572 7.7816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7885 7.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8430 10.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1454 9.8672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1650 10.1476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1786 9.8891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6688 10.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6491 10.4921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1932 10.7553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2852 9.7054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4358 10.0882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1206 10.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6356 10.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7250 11.1124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4230 10.1875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4426 10.4678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4562 10.2094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9463 11.0924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9267 10.8123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4708 11.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5628 10.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7134 10.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9348 11.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9132 11.0706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0026 11.4326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3982 12.4181 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.4178 12.6984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4314 12.4400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9216 13.3230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9019 13.0429 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4460 13.3062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5380 12.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6886 12.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9101 13.8974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8884 13.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9778 13.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6691 11.7268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6886 12.0071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7022 11.7487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1923 12.6318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1727 12.3517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7168 12.6149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8088 11.5650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9595 11.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1808 13.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1592 12.6100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2486 12.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6708 11.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0116 11.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2267 11.3498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1009 12.0551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2979 11.4267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9271 10.4768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9130 10.5833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7159 11.2119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2349 10.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7262 11.2640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3294 9.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.8297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0868 12.1617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9291 11.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8191 11.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2168 11.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5581 10.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2124 13.6291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5114 14.3694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5307 14.6491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5413 15.6688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2425 14.9286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9841 15.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3897 13.9277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9926 15.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7527 16.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2231 14.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6236 15.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1613 13.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3302 13.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7790 14.0388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9731 14.2864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9927 14.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0063 14.3083 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4965 15.1913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4768 14.9112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0209 15.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1129 14.1245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2635 14.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4849 15.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4633 15.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5526 15.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 14.1245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5855 13.2391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7340 12.9962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9403 12.2441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1158 13.2388 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7036 12.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0527 13.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5764 12.3826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2382 11.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9672 13.4818 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 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 3 30 2 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 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 85 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 117118 1 0 0 0 0 117119 2 0 0 0 0 75106 1 0 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 123122 1 1 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 124129 1 0 0 0 0 120129 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 125130 1 0 0 0 0 113120 1 0 0 0 0 131132 1 1 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 126131 1 0 0 0 0 M END > LMSP0502AV03 > > GalNAcalpha1-3GalNAcbeta1-3(Fucalpha1-2Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C92H164N4O42 > 1997.08 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260334 > - > - > Active (generated by computational methods) > - $$$$