Accord 08271317182D 132138 0 0 0 0 0 0 0 0999 V2000 22.2589 7.3287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5015 7.7649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7437 7.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6968 6.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8210 6.5713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0168 7.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0275 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0275 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2701 6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9139 8.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0793 8.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5069 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7434 6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9799 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2163 6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4529 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6893 6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9258 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1622 6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3988 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6352 6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8716 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1082 6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3446 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5811 6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8175 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0541 6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2905 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5270 6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7635 6.1236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9800 7.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2164 7.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4528 7.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6893 7.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9258 7.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1623 7.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3987 7.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6353 7.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8717 7.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1082 7.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3446 7.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5811 7.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8176 7.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0540 7.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0222 10.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3291 9.8370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3551 10.1156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3750 9.8588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8684 10.7361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8425 10.4578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3895 10.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4745 9.6763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6370 10.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3239 10.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8226 10.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9179 11.0742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6308 10.1552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6567 10.4337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6767 10.1770 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1701 11.0543 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1441 10.7760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6912 11.0376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7761 9.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9387 10.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1587 11.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1243 11.0327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2195 11.3923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6255 12.3714 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.6515 12.6499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6714 12.3932 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1648 13.2705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1389 12.9922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6859 13.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7709 12.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9335 12.5910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1534 13.8412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1190 13.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2143 13.6085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9205 11.6846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9464 11.9631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9664 11.7064 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4598 12.5837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4338 12.3054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9809 12.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0658 11.5238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2284 11.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4484 13.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4140 12.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5092 12.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9287 11.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2672 11.0676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4875 11.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3754 12.0108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5774 11.3865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2091 10.4427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2016 10.5485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9993 11.1730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5215 10.9603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 11.2248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6153 9.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8454 10.7933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3678 12.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5450 11.5962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0955 10.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4905 11.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8361 10.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 13.5746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7637 14.3102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7895 14.5880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8000 15.6011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4967 14.8657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2400 15.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6429 13.8713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2549 15.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0101 15.9788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4710 14.5877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8754 15.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4160 13.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5838 13.3761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0362 13.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2419 14.2276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2679 14.5061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2878 14.2494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7812 15.1267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7553 14.8484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3023 15.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3873 14.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5499 14.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7698 15.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7354 15.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8307 15.4647 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 25 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 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 87 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 119120 1 0 0 0 0 119121 2 0 0 0 0 77108 1 0 0 0 0 122123 1 1 0 0 0 124123 1 1 0 0 0 125124 1 1 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 126131 1 0 0 0 0 122131 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 127132 1 0 0 0 0 115122 1 0 0 0 0 M END > LMISSP0502AT04 > > GalNAcalpha1-3GalNAcbeta1-3(Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C88H158N4O38 > 1879.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260319 > - > - > Active (generated by computational methods) > - $$$$