Accord 08271317192D 134140 0 0 0 0 0 0 0 0999 V2000 23.8694 7.8152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1201 8.2465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3706 7.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3027 7.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.4362 7.0658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6191 8.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6513 6.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6513 5.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9020 7.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5281 8.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7024 8.9697 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1471 6.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3918 7.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6364 6.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8811 7.0558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1259 6.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6150 8.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8597 7.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1044 8.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3490 7.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5936 8.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8385 7.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0831 8.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3278 7.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1259 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3278 7.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5001 6.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6726 7.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8449 6.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0173 7.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1898 6.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3055 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4852 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6648 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8444 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0241 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2037 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3833 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5630 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7426 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9222 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1018 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2815 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4611 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6407 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8204 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6242 10.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9389 10.2955 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9758 10.5709 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0068 10.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5059 11.1845 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4690 10.9093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0211 11.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0939 10.1365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2771 10.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9674 10.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4381 11.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5435 11.5187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2821 10.6101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3190 10.8855 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3500 10.6316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8490 11.4991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8122 11.2239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3643 11.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4371 10.4511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6203 10.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8378 12.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7813 11.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8867 11.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7768 10.9326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9878 10.3153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6237 9.3821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6275 9.4867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4162 10.1042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9438 9.8939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4087 10.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0365 8.9067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1643 9.8094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7806 11.0374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9669 10.5227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0349 8.0106 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0718 8.2860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1028 8.0321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6019 8.8996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5650 8.6244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1171 8.8830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1899 7.8516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3731 8.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5906 9.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5341 8.8782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6395 9.2338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0543 7.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3889 7.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6180 7.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2014 12.4659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5126 13.1932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5493 13.4680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5597 14.4697 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2486 13.7425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9947 14.1931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3932 12.7592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0207 14.0078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9380 14.4762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2119 13.4676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6230 14.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1688 12.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3347 12.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7932 12.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2527 14.2126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5639 14.9399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6005 15.2147 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6110 16.2164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2999 15.4892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0460 15.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4444 14.5059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0720 15.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8885 16.7078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2632 15.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6743 15.9758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2032 16.4442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5144 17.1715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5510 17.4462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5615 18.4480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2504 17.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9965 18.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3949 16.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0225 17.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7692 18.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2137 17.4459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6248 18.2074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1706 16.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3365 16.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7950 16.8466 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 70 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 104110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 118121 1 0 0 0 0 M END > LMISSP0506AJ05 > > GalNAcbeta1-3Galalpha1-3(GalNAcbeta1-4Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C90H162N4O38 > 1907.09 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261888 > - > - > Active (generated by computational methods) > - $$$$