Accord 08271317182D 126132 0 0 0 0 0 0 0 0999 V2000 24.3124 7.2423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6299 7.6353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9473 7.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7068 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9179 6.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 7.6365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2029 6.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2029 5.3673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5205 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0015 8.2788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2497 8.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8330 6.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1451 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4572 6.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7693 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0816 6.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3936 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7057 6.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0178 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3300 6.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6421 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9541 6.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2663 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5784 6.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8906 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2026 6.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5148 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8269 6.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2592 7.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5712 7.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8833 7.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1955 7.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5076 7.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8197 7.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1318 7.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4440 7.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7561 7.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0682 7.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3803 7.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6924 7.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0046 7.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3166 7.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3756 9.5022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4981 9.7531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6151 9.5218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1587 10.3122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0363 10.0615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6282 10.2972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6056 9.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9502 9.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6681 10.0291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9193 10.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1042 10.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0437 9.7889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1661 10.0398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2831 9.8085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8267 10.5989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7043 10.3481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2962 10.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2737 9.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6183 9.9866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8165 11.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5874 10.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7722 10.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3361 11.7854 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.4586 12.0364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5756 11.8050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1193 12.5955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9968 12.3448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5888 12.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5662 11.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9108 11.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1090 13.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8798 12.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0648 12.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1423 12.0794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4234 11.5169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0916 10.6666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1839 10.7619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9026 11.3245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4721 11.1329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8069 11.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5566 10.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 11.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2345 12.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4932 11.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7881 10.3295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0693 9.7670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7374 8.9168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8297 9.0121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5484 9.5748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1179 9.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4527 9.6214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2024 8.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4077 9.3060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8804 10.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1391 9.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4340 8.5797 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7151 8.0172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3833 7.1669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4755 7.2623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1942 7.8249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7637 7.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0985 7.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8483 6.7338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0535 7.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5262 8.6752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7848 8.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9357 5.9173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0581 6.1682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1751 5.9368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7187 6.7272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5963 6.4765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1882 6.7122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1656 5.7724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5103 6.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7085 7.1165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4794 6.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6642 7.0317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0422 5.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3470 5.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6446 5.5797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8269 5.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2426 5.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4873 5.6638 0.0000 C 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 3 29 2 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 41 42 1 0 0 0 0 6 43 1 0 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 44 53 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 49 54 1 0 0 0 0 43 44 1 0 0 0 0 55 56 1 1 0 0 0 57 56 1 1 0 0 0 58 57 1 1 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 55 64 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 60 65 1 0 0 0 0 52 55 1 0 0 0 0 66 67 1 1 0 0 0 68 67 1 1 0 0 0 69 68 1 1 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 75 1 0 0 0 0 66 75 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 71 76 1 0 0 0 0 63 66 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 73 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 84 88 1 0 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 99108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 104109 1 0 0 0 0 95 99 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 116121 1 0 0 0 0 121122 1 0 0 0 0 121123 2 0 0 0 0 106110 1 0 0 0 0 28124 1 0 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 M END > LMISSP0502AR04 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C84H152N2O38 > 1797.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260303 > - > - > Active (generated by computational methods) > - $$$$