Accord 08271317182D 142150 0 0 0 0 0 0 0 0999 V2000 24.4434 9.5396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8908 9.8579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3379 9.5396 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 8.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5450 8.0211 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 24.1916 10.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5827 10.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4355 8.6603 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 8.6603 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 8.6603 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 8.6603 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 8.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4216 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8644 8.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3073 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7502 8.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1931 8.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7805 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2234 9.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6663 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1092 9.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5521 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9950 9.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4379 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8808 9.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3237 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7666 9.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2095 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6524 9.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0954 9.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5383 9.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4945 11.3688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7842 11.5719 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 12.0245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4103 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 11.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3028 11.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1252 12.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4653 12.2710 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 20.3722 11.6167 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 20.3828 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 19.8340 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 20.7681 12.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6056 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 18.1805 13.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8111 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 18.1911 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 17.6423 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 18.5764 14.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0202 13.4550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4383 12.9997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1697 12.3114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4349 12.3885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0167 12.8440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6682 12.6889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7487 12.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7366 11.9608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0933 12.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2854 13.5323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6853 13.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1145 12.0385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5326 11.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2640 10.8949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5292 10.9721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1110 11.4275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7625 11.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8430 11.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8309 10.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1876 11.2100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3797 12.1158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7796 11.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2088 10.6220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6269 10.1667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3583 9.4784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6235 9.5556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2053 10.0111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8568 9.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9373 10.0488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9252 9.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2819 9.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4740 10.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8739 10.3197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3031 9.2056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7212 8.7503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4526 8.0620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7178 8.1391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2996 8.5946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9511 8.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0317 8.6324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0196 7.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3762 8.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5683 9.2829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9682 8.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3974 7.7891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8155 7.3338 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5469 6.6455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8121 6.7226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3939 7.1781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0454 7.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1260 7.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1139 6.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4705 6.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6626 7.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 7.4867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3751 5.6339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6647 5.8370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9500 5.6497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5805 6.2896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2909 6.0866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9606 6.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7518 5.5166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4118 5.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5722 6.6047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0057 6.2738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3459 6.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6518 5.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8986 5.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3300 5.3607 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 70 74 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 81 85 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 92 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 103107 1 0 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 121120 1 1 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 122127 1 0 0 0 0 118127 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 123128 1 0 0 0 0 114118 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 140141 1 0 0 0 0 140142 2 0 0 0 0 125129 1 0 0 0 0 M END > LMISSP0502AZ01 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C90H160N2O48 > 2037.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260364 > - > - > Active (generated by computational methods) > - $$$$