Accord 08271317182D 109113 0 0 0 0 0 0 0 0999 V2000 23.4619 7.2928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7175 7.7215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9729 7.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8922 6.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0315 6.5485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2067 7.7227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2517 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2517 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5074 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1228 8.4234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3026 8.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7574 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0070 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2567 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5063 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7560 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0056 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2553 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5049 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7546 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0042 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2538 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5036 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7532 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0029 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2525 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5022 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7518 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0015 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2511 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5008 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7504 6.5385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2223 7.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4719 7.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7215 7.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9712 7.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2208 7.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4705 7.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7201 7.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9698 7.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2194 7.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4691 7.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7187 7.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9683 7.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2180 7.7214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4676 7.2928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2120 10.0198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5309 9.7579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5736 10.0316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6105 9.7792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1126 10.6414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0699 10.3679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6247 10.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6910 9.5998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8853 9.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5775 10.3325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0331 10.6202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1440 10.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8964 10.0705 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9391 10.3443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9760 10.0919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4781 10.9541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4354 10.6806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9902 10.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0565 9.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2507 10.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4669 11.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 10.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5095 11.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9430 12.2485 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9857 12.5222 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0226 12.2699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5247 13.1321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4820 12.8586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0368 13.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1031 12.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2973 12.4642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5135 13.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4452 13.1108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5561 13.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3018 11.5735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3446 11.8472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3815 11.5949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8836 12.4571 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8409 12.1836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3957 12.4407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4620 11.4155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6562 11.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8724 12.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8041 12.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9150 12.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3272 11.2054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6598 10.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8936 11.2054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6607 10.8986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7035 11.1723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7403 10.9200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2425 11.7822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1997 11.5087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7546 11.7657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 10.7406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0151 11.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2313 12.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 11.7609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2738 12.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6861 10.5305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0187 10.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2525 10.5305 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 2 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 3 34 2 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 68 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 89 96 1 0 0 0 0 M END > LMISSP0502AD07 > > GalNAcbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C76H137N3O28 > 1539.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260194 > - > - > Active (generated by computational methods) > - $$$$