Accord 08271317182D 128134 0 0 0 0 0 0 0 0999 V2000 24.2881 7.1745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5815 7.5814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8748 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6965 6.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8796 6.4680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 7.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1394 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1394 5.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4330 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9662 8.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1878 8.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7212 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0089 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2968 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5846 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8725 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1603 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4481 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7359 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0238 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3116 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5994 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8872 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1750 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4629 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7507 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0386 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3264 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6142 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9020 6.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1899 6.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1624 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4501 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7379 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0258 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3136 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6015 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8892 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1771 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4649 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7528 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0406 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3283 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6162 7.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9040 7.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3535 9.5141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4450 9.7739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5309 9.5344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0583 10.3528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9669 10.0932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5444 10.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5564 9.3642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8425 9.7189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5504 10.0596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8811 10.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0372 10.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9039 9.8109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9954 10.0707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0812 9.8312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6087 10.6496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5173 10.3900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0948 10.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1068 9.6609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3929 10.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5981 11.1819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4315 10.6294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5876 10.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1008 11.8781 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.1922 12.1378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2781 11.8984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8056 12.7167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7141 12.4571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2917 12.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3036 11.7281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5898 12.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7950 13.2490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6284 12.6965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7845 13.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6449 11.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7364 11.4972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8223 11.2577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3497 12.0761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2583 11.8165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8358 12.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8478 11.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1339 11.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3391 12.4791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1725 12.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3286 12.3914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7199 10.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0355 10.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3083 10.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1891 10.5968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2805 10.8566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3664 10.6171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8939 11.4355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8024 11.1759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3799 11.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3919 10.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6780 10.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8832 11.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7166 11.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8727 11.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8824 10.9011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1381 10.3188 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7946 9.4385 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8548 9.5371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5989 10.1196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1532 9.9212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5352 10.1680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2407 8.9900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5225 9.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9426 11.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1751 10.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6213 9.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9898 10.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3794 9.6144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8946 10.4469 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9032 9.6263 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1141 9.4013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3786 8.7043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5411 9.6260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1592 9.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3361 10.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9681 8.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6546 8.2376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3302 9.8512 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 87 94 1 0 0 0 0 105106 1 1 0 0 0 107106 1 1 0 0 0 108107 1 1 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109114 1 0 0 0 0 105114 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 116117 1 0 0 0 0 116118 2 0 0 0 0 101105 1 0 0 0 0 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 100119 1 0 0 0 0 M END > LMISSP0502AJ04 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C86H155N3O37 > 1822.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260239 > - > - > Active (generated by computational methods) > - $$$$