Accord 08271317192D 134140 0 0 0 0 0 0 0 0999 V2000 23.8506 7.8126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1020 8.2435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3532 7.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2833 7.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4178 7.0640 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5994 8.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6336 6.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6336 5.7557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8851 7.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5095 8.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6847 8.9660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1309 6.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3764 7.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6218 6.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8672 7.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1128 6.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5984 8.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8438 7.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0892 8.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3347 7.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5800 8.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8257 7.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0710 8.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3164 7.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1128 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3164 7.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4896 6.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6629 7.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8361 6.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0093 7.0717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1826 6.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2932 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4737 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6541 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8346 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0150 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1955 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3759 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5564 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7368 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9173 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0977 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2782 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4586 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6391 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8195 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6046 10.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9200 10.2904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9578 10.5656 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9897 10.3119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4893 11.1786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4515 10.9037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0041 11.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0758 10.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2608 10.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9514 10.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4197 11.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5260 11.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2668 10.6047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3047 10.8799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3366 10.6262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8362 11.4929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7983 11.2180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3509 11.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4226 10.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6076 10.8216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8249 12.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7665 11.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8728 11.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7650 10.9269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9768 10.3102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6131 9.3780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6178 9.4825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4058 10.0994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9338 9.8893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3973 10.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0265 8.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1551 9.8048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7698 11.0316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9570 10.5174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0259 8.0078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0637 8.2829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0957 8.0293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5953 8.8959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5574 8.6210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1100 8.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1817 7.8490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3667 8.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5840 9.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5256 8.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6319 9.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0462 7.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3805 7.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6104 7.6378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5241 8.3300 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7359 7.7133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3721 6.7811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3769 6.8855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1648 7.5024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6929 7.2923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1564 7.5536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7856 6.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0250 7.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5288 8.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7160 7.9205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2476 7.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6378 7.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9914 6.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1882 12.4587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5001 13.1852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5377 13.4597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5481 14.4604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2363 13.7340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9827 14.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3808 12.7517 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0097 13.9990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9270 14.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1987 13.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6104 14.2201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1566 12.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3224 12.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7814 12.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2424 14.2037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5543 14.9302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5919 15.2047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6024 16.2054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2906 15.4790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0369 15.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4350 14.4967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0639 15.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8796 16.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2529 15.2044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6646 15.9650 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 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 67 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 70110 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 118124 1 0 0 0 0 M END > LMISSP0506AI05 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C90H162N4O38 > 1907.09 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261880 > - > - > Active (generated by computational methods) > - $$$$