Accord 08271317182D 122128 0 0 0 0 0 0 0 0999 V2000 24.2881 7.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5812 7.5821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8740 7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6967 6.4681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8794 6.4681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1389 6.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1389 5.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4320 6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9661 8.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1872 8.2642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7199 6.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0073 6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2947 6.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5822 6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8696 6.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1570 6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4445 6.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7319 6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0194 6.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3068 6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5942 6.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8817 6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1691 6.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4565 6.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1612 7.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4486 7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7361 7.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0235 7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3109 7.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5984 7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8858 7.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1732 7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4607 7.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7481 7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0356 7.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3230 7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6105 7.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8980 7.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3535 9.5146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4449 9.7744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5307 9.5349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0581 10.3532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9667 10.0936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5442 10.3376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5563 9.3646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8423 9.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5502 10.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8810 10.3331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0371 10.6685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9037 9.8114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9950 10.0712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0809 9.8317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6083 10.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5169 10.3904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0944 10.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1064 9.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3925 10.0162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5977 11.1824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4312 10.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5872 10.9653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1003 11.8786 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.1917 12.1384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2776 11.8989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8050 12.7173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7136 12.4577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2911 12.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3031 11.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5892 12.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7944 13.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6279 12.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7839 13.0326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6443 11.2380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7356 11.4978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8215 11.2583 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3489 12.0767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2575 11.8171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8350 12.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8470 11.0880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1331 11.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3383 12.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1718 12.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3278 12.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7191 10.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0348 10.6624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3076 10.8886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1882 10.5973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2796 10.8571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3654 10.6176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8928 11.4360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8014 11.1764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3789 11.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3910 10.4473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6770 10.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8822 11.9683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7157 11.4158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8718 11.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8813 10.9016 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1370 10.3192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7934 9.4389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8536 9.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5977 10.1201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1520 9.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5340 10.1684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2395 8.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5213 9.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9414 11.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1739 10.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6202 9.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9887 10.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3783 9.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8936 10.4473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9022 9.6268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1130 9.4017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3775 8.7046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5400 9.6265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1581 9.2365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3352 10.0690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9670 8.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6535 8.2379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3292 9.8516 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 81 88 1 0 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 99108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 110111 1 0 0 0 0 110112 2 0 0 0 0 95 99 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 94113 1 0 0 0 0 M END > LMSP0502AJ01 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O37 > 1737.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260236 > - > - > Active (generated by computational methods) > - $$$$