Accord 08271317182D 144152 0 0 0 0 0 0 0 0999 V2000 24.4434 9.5397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8908 9.8580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3379 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7629 8.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1239 8.9870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9963 9.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5450 8.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5450 8.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9923 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1917 10.3791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5827 10.3913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4355 8.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8784 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3213 8.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7642 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2071 8.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6500 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0929 8.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5358 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9787 8.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4217 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8646 8.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3075 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7504 8.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1933 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6362 8.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0791 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7806 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2235 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6664 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1093 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5522 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9951 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4380 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8809 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3238 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7667 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2096 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6525 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0955 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5384 9.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.5633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4945 11.3689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7842 11.5720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0694 11.3847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.7000 12.0246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4104 11.8216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0800 12.0123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8713 11.2516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5312 11.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3029 11.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1252 12.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4653 12.2711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7974 11.6009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0870 11.8040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3723 11.6168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0028 12.2566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7132 12.0536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3829 12.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1741 11.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8341 11.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9945 12.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4280 12.2408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7682 12.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6057 13.2171 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.8953 13.4202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1806 13.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8112 13.8728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5215 13.6699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1912 13.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9824 13.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6424 13.3772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8028 14.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2363 13.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5765 14.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0203 13.4550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4384 12.9997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1698 12.3114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4350 12.3886 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0168 12.8440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6683 12.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7488 12.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7368 11.9608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0934 12.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2855 13.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6854 13.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1146 12.0386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5327 11.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2641 10.8950 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5294 10.9721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1111 11.4276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7627 11.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8432 11.4654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8311 10.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1877 11.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3799 12.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7798 11.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2090 10.6221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6271 10.1668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3585 9.4785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6237 9.5556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2054 10.0111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8570 9.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9375 10.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9254 9.1279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2821 9.7936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4742 10.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8741 10.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3033 9.2056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7214 8.7503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4528 8.0620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7180 8.1392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2998 8.5946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9513 8.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0318 8.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0197 7.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3764 8.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5685 9.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9684 8.9033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3976 7.7892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8157 7.3339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5471 6.6456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8124 6.7227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3941 7.1782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0456 7.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1262 7.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1141 6.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4707 6.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6629 7.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0628 7.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3753 5.6340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6650 5.8371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9502 5.6498 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5808 6.2897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2912 6.0867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9608 6.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7521 5.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 5.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5725 6.6048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 6.2739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3461 6.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6521 5.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8989 5.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3303 5.3608 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 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 72 76 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 83 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 94 98 1 0 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 109118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 114119 1 0 0 0 0 105109 1 0 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 123122 1 1 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 124129 1 0 0 0 0 120129 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 125130 1 0 0 0 0 116120 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 142143 1 0 0 0 0 142144 2 0 0 0 0 127131 1 0 0 0 0 M END > LMISSP0502AZ02 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C92H164N2O48 > 2065.05 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260365 > - > - > Active (generated by computational methods) > - $$$$