Accord 08271317182D 123128 0 0 0 0 0 0 0 0999 V2000 23.8744 7.3385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1133 7.7767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3520 7.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3142 6.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4344 6.5775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6357 7.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6371 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6371 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8762 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5277 8.4943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6892 8.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1094 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3423 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5752 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8081 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0410 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2738 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5068 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7396 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9726 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2054 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4382 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6712 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9040 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1370 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3698 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6028 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8356 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0685 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3014 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5343 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7672 6.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5847 7.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8175 7.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0503 7.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2833 7.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5161 7.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7491 7.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9819 7.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2149 7.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4477 7.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6806 7.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9135 7.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1463 7.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3793 7.7766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6121 7.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6412 10.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9449 9.8586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9662 10.1384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9816 9.8805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4726 10.7619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4512 10.4823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9962 10.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0862 9.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2401 10.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9255 10.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4360 10.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5270 11.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2291 10.1783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2505 10.4581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2659 10.2001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7569 11.0816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7355 10.8020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2804 11.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3705 10.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5244 10.3989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7454 11.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7203 11.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8113 11.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2098 12.4049 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.2311 12.6847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2465 12.4267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7375 13.3082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7162 13.0286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2611 13.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3511 12.2433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5050 12.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7261 13.8816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7009 13.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7919 13.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4873 11.7149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5087 11.9947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5240 11.7367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0151 12.6182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9937 12.3386 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5386 12.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6287 11.5533 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7826 11.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0036 13.0523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9784 12.5964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0694 12.9578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4909 11.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8309 11.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0476 11.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9255 12.0426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1239 11.4153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7539 10.4671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7416 10.5734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5430 11.2009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0630 10.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5515 11.2529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1572 9.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3837 10.8194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9133 12.1491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0865 11.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6443 11.0152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0412 11.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3838 10.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0297 13.6138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3298 14.3527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3510 14.6319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3616 15.6498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0616 14.9109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8036 15.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2084 13.9118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8139 15.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5726 16.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0404 14.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4420 15.4053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9805 13.7971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1491 13.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5989 14.0227 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 89 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 116121 1 0 0 0 0 121122 1 0 0 0 0 121123 2 0 0 0 0 79110 1 0 0 0 0 M END > LMISSP0502BB07 > > GalNAcalpha1-3GalNAcbeta1-3(GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C84H150N4O33 > 1743.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260386 > - > - > Active (generated by computational methods) > - $$$$