Accord 08271317182D 137144 0 0 0 0 0 0 0 0999 V2000 24.3848 8.4524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7742 8.8040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1635 8.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7377 7.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0318 7.8419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9956 8.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3922 7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3922 6.7748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7817 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1067 9.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4339 9.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1666 7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5511 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9357 7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3202 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7048 7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0894 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4740 7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8585 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2431 7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6277 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0122 7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3968 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7813 7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1659 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5505 7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9351 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3196 7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7042 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0888 7.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4734 7.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5478 8.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9324 8.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3169 8.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7015 8.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0860 8.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4706 8.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8552 8.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2398 8.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6243 8.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0089 8.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3934 8.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7780 8.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1626 8.8039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5471 8.4524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.6891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4413 10.4742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6562 10.6987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8663 10.4917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4579 11.1989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2431 10.9746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8780 11.1854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7525 10.3446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2714 10.6512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0190 10.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0331 11.1815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3038 11.4714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4603 10.7307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6752 10.9552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8853 10.7482 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4769 11.4554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2620 11.2310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8969 11.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7715 10.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2904 10.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4677 11.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0521 11.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3228 11.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0380 12.5170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.2528 12.7415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4629 12.5345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0546 13.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8397 13.0174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4746 13.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3491 12.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8681 12.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0454 13.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6297 13.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9005 13.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1805 12.7799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5373 12.2767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2405 11.5160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4283 11.6012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0713 12.1046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6862 11.9332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8804 12.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7618 11.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0508 11.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3684 12.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7051 12.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0742 11.2144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4311 10.7112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1342 9.9504 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3221 10.0357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9651 10.5391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5799 10.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7742 10.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6556 9.5629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9445 10.2987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2621 11.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5989 10.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9680 9.6488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3249 9.1456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0280 8.3849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2159 8.4701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8588 8.9735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4737 8.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6680 9.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5493 7.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8383 8.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1559 9.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4926 9.3147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8618 8.0833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2186 7.5801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9218 6.8194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1096 6.9046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7526 7.4080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3675 7.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5617 7.4498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4431 6.4318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7321 7.1676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0496 8.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3864 7.7491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6266 5.7013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8415 5.9258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0515 5.7188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6432 6.4260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4283 6.2016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0632 6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9377 5.5716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4567 5.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 6.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2184 6.4085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4891 6.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8272 5.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1000 5.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4716 5.3993 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 76 80 1 0 0 0 0 91 92 1 1 0 0 0 93 92 1 1 0 0 0 94 93 1 1 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 95100 1 0 0 0 0 91100 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 96101 1 0 0 0 0 87 91 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 98102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 109113 1 0 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 127126 1 1 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 128133 1 0 0 0 0 124133 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 135136 1 0 0 0 0 135137 2 0 0 0 0 120124 1 0 0 0 0 M END > LMISSP0502AX04 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C90H162N2O43 > 1959.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260351 > - > - > Active (generated by computational methods) > - $$$$