Accord 08271317182D 103107 0 0 0 0 0 0 0 0999 V2000 22.1616 7.2941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4167 7.7231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6715 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5922 6.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7309 6.5492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9068 7.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9506 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9506 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2058 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8222 8.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0015 8.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4553 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7045 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9536 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2028 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4519 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7011 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9502 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1994 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4485 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6977 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9468 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1960 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4451 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6943 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9434 6.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1925 6.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9204 7.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1695 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4187 7.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6678 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9170 7.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1661 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4153 7.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6644 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9135 7.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1627 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4118 7.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6610 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9102 7.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1594 7.2941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9117 10.0214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2305 9.7594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2730 10.0332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3097 9.7808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8118 10.6432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7692 10.3696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3240 10.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3904 9.6014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5843 9.9752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2765 10.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7326 10.6219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8433 10.9754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5953 10.0722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6378 10.3459 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6745 10.0936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1766 10.9559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1340 10.6824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6888 10.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7552 9.9141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9491 10.2880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1654 11.5169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0974 10.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2081 11.2882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4841 11.2548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5267 11.5286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5634 11.2762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0654 12.1386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0229 11.8650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5776 12.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6441 11.0968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8380 11.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0542 12.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9863 12.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0970 12.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5093 10.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8419 10.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0756 10.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8423 10.5798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8849 10.8535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9216 10.6011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4236 11.4635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3811 11.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9358 11.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0023 10.4217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1962 10.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 12.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 11.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4552 11.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2005 9.9047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2431 10.1784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2798 9.9261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7818 10.7884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7393 10.5149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2940 10.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3605 9.7466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.1205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7818 11.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7027 10.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8134 11.1207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2257 9.5365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5583 9.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7920 9.5365 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 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 62 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 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 86 90 1 0 0 0 0 M END > LMSP0503AC02 > > GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C70H127N3O28 > 1457.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260501 > - > - > Active (generated by computational methods) > - $$$$