Accord 08271317182D 132138 0 0 0 0 0 0 0 0999 V2000 24.2880 7.1741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5818 7.5806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8754 7.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6963 6.4678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8797 6.4678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9945 7.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1399 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1399 5.2336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4337 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9663 8.2466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1881 8.2622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7223 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0104 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2986 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5867 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8749 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1630 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4511 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7393 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0274 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3156 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6037 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8919 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1801 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4683 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7564 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0446 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3327 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6208 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9090 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1971 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4853 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7734 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0616 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3497 6.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1633 7.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4514 7.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7395 7.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0277 7.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3158 7.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6040 7.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8921 7.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1803 7.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4684 7.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7566 7.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0447 7.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3328 7.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6210 7.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9091 7.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3535 9.5137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4450 9.7735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5309 9.5340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0584 10.3523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9670 10.0927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5445 10.3367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5564 9.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8426 9.7185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5505 10.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8811 10.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0373 10.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9041 9.8105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9956 10.0703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0815 9.8308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6090 10.6491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5175 10.3895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0950 10.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1069 9.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3932 10.0153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5983 11.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4317 10.6289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5878 10.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1011 11.8775 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.1925 12.1373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2785 11.8978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8059 12.7161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7145 12.4566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2920 12.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3039 11.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5901 12.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7953 13.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6286 12.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7848 13.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6453 11.2370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7368 11.4967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8227 11.2573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3502 12.0756 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2587 11.8160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8362 12.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8482 11.0870 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1344 11.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3396 12.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1729 12.0554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3290 12.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7203 10.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0360 10.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3087 10.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1896 10.5964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2811 10.8562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3670 10.6167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8945 11.4350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8030 11.1754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3805 11.4194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3925 10.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6787 10.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8838 11.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7172 11.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8733 11.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8830 10.9006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1388 10.3183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7953 9.4380 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8555 9.5367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5996 10.1192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1539 9.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5358 10.1675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2414 8.9896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5233 9.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9433 10.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1758 10.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6220 9.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9904 10.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3801 9.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8952 10.4464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9037 9.6259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1147 9.4008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3792 8.7039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5417 9.6256 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1598 9.2356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3367 10.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9687 8.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6552 8.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3308 9.8508 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 31 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 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 70 73 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 95 96 1 0 0 0 0 95 97 2 0 0 0 0 80 84 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 91 98 1 0 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 109118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 120121 1 0 0 0 0 120122 2 0 0 0 0 105109 1 0 0 0 0 123124 1 1 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 104123 1 0 0 0 0 M END > LMSP0502AJ06 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C90H163N3O37 > 1878.10 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260241 > - > - > Active (generated by computational methods) > - $$$$