Accord 08271317192D 130136 0 0 0 0 0 0 0 0999 V2000 21.4487 7.8238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6969 8.2565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9449 7.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8834 7.0719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0140 7.0719 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2008 8.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2265 6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2265 5.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4747 7.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1062 8.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2778 8.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7173 6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9594 7.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2016 6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4437 7.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6860 6.6275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1867 8.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4289 7.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6710 8.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9132 7.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1553 8.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3976 7.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6397 8.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8819 7.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6860 5.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8819 7.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0514 6.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2211 7.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3907 6.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5603 7.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7300 6.6002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8629 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0398 5.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2167 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3936 5.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5705 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7474 5.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9242 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1011 5.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2780 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4549 5.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6318 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8087 5.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2060 10.5768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5184 10.3123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5521 10.5887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5798 10.3339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0772 11.2043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0436 10.9282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5942 11.1877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6706 10.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8477 10.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5370 10.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0159 11.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1184 11.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8494 10.6280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8831 10.9043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9108 10.6496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4082 11.5200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3746 11.2439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9252 11.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0015 10.4685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1787 10.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3969 12.0861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3469 11.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4493 11.8553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3324 10.9516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5408 10.3322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1754 9.3959 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1759 9.5009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9672 10.1205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4932 9.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9631 10.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5863 8.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7112 9.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3328 11.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5165 10.5403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5814 8.0198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6150 8.2961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6428 8.0414 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1402 8.9118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1065 8.6357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6571 8.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7335 7.8603 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9106 8.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1289 9.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0789 8.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1813 9.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5975 7.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9332 7.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1597 7.6482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0643 8.3434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2728 7.7240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9074 6.7877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9078 6.8927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6992 7.5122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2252 7.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6951 7.5636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3183 6.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0648 8.4485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2485 7.9321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7867 7.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1786 7.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5294 6.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7617 12.4900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0707 13.2197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1041 13.4954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1146 14.5005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8058 13.7709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5510 14.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9508 12.7843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5738 14.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4908 14.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7723 13.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1814 14.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7257 12.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8922 12.2931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3489 12.8938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8032 14.2426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1121 14.9723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1455 15.2479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1560 16.2530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8472 15.5234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5925 15.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9922 14.5368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6152 15.7895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4344 16.7460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8137 15.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2228 16.0116 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 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 114120 1 0 0 0 0 M END > LMISSP0506AI03 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C86H154N4O38 > 1851.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261878 > - > - > Active (generated by computational methods) > - $$$$