Accord 08271317182D 130136 0 0 0 0 0 0 0 0999 V2000 23.8319 7.2921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0878 7.7206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3434 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2621 6.5480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4017 6.5480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5764 7.7219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6221 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6221 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8781 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4930 8.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6730 8.4387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1283 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3782 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6282 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8780 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1280 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3778 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6278 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8777 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1276 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3775 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6273 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8773 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1271 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3771 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6270 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8769 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1268 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3767 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6266 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8766 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1264 6.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3763 6.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5930 7.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8429 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0927 7.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3427 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5926 7.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8425 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0924 7.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3423 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5922 7.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8422 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0920 7.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3419 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5918 7.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8417 7.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5818 10.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9009 9.7563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9439 10.0299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9811 9.7777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4835 10.6396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4404 10.3662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9954 10.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0613 9.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2561 9.9720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9485 10.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4033 10.6183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5145 10.9717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2676 10.0689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3107 10.3425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3479 10.0903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8502 10.9522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8071 10.6788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3621 10.9357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4280 9.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6229 10.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8390 11.5128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7700 10.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8812 11.2843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3152 12.2461 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.3583 12.5197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3955 12.2675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8978 13.1294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8547 12.8560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4097 13.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4756 12.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6705 12.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8866 13.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8176 13.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9288 13.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6753 11.5714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7184 11.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7556 11.5928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2579 12.4547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2148 12.1813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7698 12.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8357 11.4134 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0306 11.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2467 12.8791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1777 12.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2889 12.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7010 11.2034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0335 10.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2675 11.2034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2057 13.4282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5213 14.1508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5642 14.4237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5746 15.4190 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2590 14.6965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0068 15.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4026 13.7196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0391 14.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7809 15.7900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2162 14.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6310 15.1800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1797 13.6074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3446 13.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8066 13.8280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0439 14.0697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0870 14.3433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1242 14.0910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6265 14.9530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5834 14.6796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1384 14.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2043 13.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3992 14.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6153 15.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5463 14.9317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6575 15.2850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8369 13.3164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8279 14.1806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0057 13.0793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4115 12.4519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4023 13.3161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 12.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6714 14.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 12.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5218 11.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2334 13.5532 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 2 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 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 3 34 2 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 79 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 103110 1 0 0 0 0 122121 1 1 0 0 0 121123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 122130 1 0 0 0 0 117121 1 0 0 0 0 M END > LMISSP0502BN07 > > GalNAcbeta1-3(Fucalpha2-3Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C88H157N3O37 > 1848.05 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260482 > - > - > Active (generated by computational methods) > - $$$$