Accord 08271317182D 126132 0 0 0 0 0 0 0 0999 V2000 22.0156 7.3357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2555 7.7734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4952 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4549 6.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5761 6.5757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7759 7.7747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7800 6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7800 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0200 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6693 8.4900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8319 8.5068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2543 6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4882 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7221 6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9560 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1899 6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4238 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6577 6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8916 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1255 6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3594 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5933 6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8272 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0611 6.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2950 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7288 7.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9627 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1966 7.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4305 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6644 7.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8983 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1322 7.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3661 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6000 7.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8339 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0678 7.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3017 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5357 7.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7696 7.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7809 10.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0858 9.8511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1089 10.1304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1261 9.8729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6180 10.7528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5949 10.4737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1406 10.7360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2287 9.6898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3860 10.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0719 10.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5779 10.7311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6705 11.0918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3768 10.1702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3999 10.4495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4170 10.1920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9090 11.0719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8859 10.7928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4316 11.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5197 10.0089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6769 10.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8975 11.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8688 11.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9615 11.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3628 12.3928 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.3860 12.6721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4031 12.4146 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8950 13.2945 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8719 13.0154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4176 13.2777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5057 12.2315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6630 12.6129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8836 13.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8549 13.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9475 13.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6471 11.7040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6702 11.9833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6873 11.7258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1793 12.6057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1561 12.3266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7019 12.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7900 11.5427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9472 11.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 13.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1391 12.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2318 12.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6524 11.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9919 11.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2099 11.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0917 12.0311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2915 11.4050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9221 10.4585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9117 10.5646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7117 11.1909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2325 10.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7184 11.2429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3266 9.9763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0813 12.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2560 11.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8110 11.0056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2072 11.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5509 10.6476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1885 13.5995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4899 14.3371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5128 14.6158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5234 15.6318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2221 14.8943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9646 15.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3687 13.8970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9767 15.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7340 16.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1992 14.6155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6018 15.3878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1412 13.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3095 13.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7602 14.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9608 14.2543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9839 14.5337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0011 14.2762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4930 15.1560 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4699 14.8769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0156 15.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1037 14.0931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2609 14.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4816 15.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4528 15.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5455 15.4950 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 81 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 113114 1 0 0 0 0 113115 2 0 0 0 0 71102 1 0 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 119118 1 1 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 120125 1 0 0 0 0 116125 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 121126 1 0 0 0 0 109116 1 0 0 0 0 M END > LMSP0502AT01 > > GalNAcalpha1-3GalNAcbeta1-3(Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C82H146N4O38 > 1794.96 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260316 > - > - > Active (generated by computational methods) > - $$$$