Accord 08271317182D 117122 0 0 0 0 0 0 0 0999 V2000 22.0815 7.3440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3184 7.7835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5550 7.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5225 6.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6403 6.5810 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8448 7.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8410 6.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8410 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0779 6.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7338 8.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8930 8.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3092 6.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5400 6.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7708 6.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0017 6.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2325 6.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4633 6.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6941 6.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9250 6.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1558 6.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3866 6.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6175 6.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8483 6.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0791 6.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 6.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5408 6.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7716 6.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7855 7.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0164 7.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2472 7.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4780 7.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7089 7.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9397 7.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1705 7.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4014 7.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6322 7.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8630 7.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0938 7.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3247 7.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5556 7.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7864 7.3440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8499 10.1379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1520 9.8695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1712 10.1499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1844 9.8914 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6743 10.7748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6551 10.4946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1990 10.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2915 9.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4413 10.0906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1260 10.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6420 10.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7310 11.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4281 10.1899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4473 10.4703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4605 10.2118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9504 11.0952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9312 10.8150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4751 11.0783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5676 10.0280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7175 10.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9389 11.6698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9181 11.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0071 11.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4021 12.4214 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.4213 12.7018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4345 12.4433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9244 13.3267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9052 13.0465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4491 13.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5416 12.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6914 12.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9129 13.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8921 13.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9811 13.6670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6715 11.7298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6907 12.0103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7039 11.7517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1938 12.6351 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1746 12.3549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7185 12.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8109 11.5679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9608 11.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1823 13.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1615 12.6133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2505 12.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6729 11.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0136 11.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2286 11.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1019 12.0583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2985 11.4296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9276 10.4793 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9131 10.5858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7163 11.2147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2352 11.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7271 11.2669 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3297 9.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.8324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0874 12.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2588 11.6408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 11.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2178 11.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5589 10.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2151 13.6329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5136 14.3735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5326 14.6533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5433 15.6734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2448 14.9329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9863 15.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3920 13.9316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9944 15.2030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7548 16.0537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2258 14.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6261 15.4284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1635 13.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3325 13.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7811 14.0427 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 3 28 2 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 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 83 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 115116 1 0 0 0 0 115117 2 0 0 0 0 73104 1 0 0 0 0 M END > LMISSP0502BB02 > > GalNAcalpha1-3GalNAcbeta1-3(GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C78H140N4O33 > 1660.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260381 > - > - > Active (generated by computational methods) > - $$$$