Accord 08271317192D 119124 0 0 0 0 0 0 0 0999 V2000 21.4167 7.8186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6664 8.2505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9159 7.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8505 7.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9829 7.0682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1673 8.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1969 6.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1969 5.7569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4466 7.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0748 8.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2481 8.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6907 6.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9344 7.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1781 6.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4218 7.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6656 6.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1592 8.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4029 7.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6466 8.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8903 7.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1339 8.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3778 7.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6214 8.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8651 7.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6656 5.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8651 7.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0363 6.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2077 7.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3790 6.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5502 7.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7216 6.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8441 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0227 5.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2012 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3798 5.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5583 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7369 5.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9154 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0940 5.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2725 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4511 5.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6296 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8082 5.7217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1725 10.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4862 10.3021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5219 10.5779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5515 10.3237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0500 11.1923 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0144 10.9168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5659 11.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6401 10.1429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8209 10.5195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5108 10.8811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9848 11.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0890 11.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8246 10.6172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8602 10.8929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8899 10.6387 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3884 11.5073 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3527 11.2318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9043 11.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9785 10.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1593 10.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3771 12.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3232 11.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4274 11.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3147 10.9401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5247 10.3220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1601 9.3876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1625 9.4923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9523 10.1106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4792 9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9461 10.1619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5721 8.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6987 9.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3172 11.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5025 10.5296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5692 8.0142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6048 8.2900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6345 8.0357 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1329 8.9044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0973 8.6288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6489 8.8878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7231 7.8550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9039 8.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1216 9.3322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0677 8.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1720 9.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5873 7.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9224 7.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1504 7.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0593 8.3371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2693 7.7190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9047 6.7846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9071 6.8893 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6969 7.5077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2238 7.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6907 7.5590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 6.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0617 8.4421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 7.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7822 7.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1733 7.4548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5254 6.9714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7412 12.4754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0515 13.2037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0869 13.4788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0973 14.4818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7871 13.7537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5329 14.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9319 12.7691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5576 14.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4748 14.4884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7517 13.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1620 14.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7072 12.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8734 12.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3312 12.8784 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 63 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 85 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 117118 1 0 0 0 0 117119 2 0 0 0 0 66106 1 0 0 0 0 M END > LMISSP0506AL03 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C80H144N4O33 > 1688.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261902 > - > - > Active (generated by computational methods) > - $$$$