Accord 08271317182D 109113 0 0 0 0 0 0 0 0999 V2000 23.4349 7.2899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6916 7.7179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9481 7.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8646 6.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0052 6.5466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1786 7.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2265 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2265 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4832 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0963 8.4188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2773 8.4352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7344 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9851 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2359 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4866 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7374 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9881 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2388 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4896 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7403 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9911 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2418 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4926 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7433 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9941 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2448 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4956 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7463 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9970 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2478 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4985 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7493 6.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1985 7.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4492 7.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6999 7.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9507 7.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2014 7.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4522 7.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7029 7.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9537 7.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2044 7.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4552 7.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7059 7.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9566 7.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2074 7.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4581 7.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1843 10.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5039 9.7525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5477 10.0259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5855 9.7739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0882 10.6352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0445 10.3620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5998 10.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6649 9.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8611 9.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5536 10.3266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0067 10.6139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1185 10.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8732 10.0649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9169 10.3383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9548 10.0862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4575 10.9476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4137 10.6743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9691 10.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0342 9.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2303 10.2804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4463 11.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3760 10.9263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4877 11.2794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9229 12.2406 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9666 12.5140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0045 12.2619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5072 13.1232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4634 12.8500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0187 13.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0839 12.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2800 12.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4960 13.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4256 13.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5374 13.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2856 11.5663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3293 11.8397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3672 11.5877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8698 12.4490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8261 12.1758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3814 12.4325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4465 11.4085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6427 11.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8586 12.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7883 12.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9001 12.7808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3119 11.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6442 10.9605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8788 11.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6482 10.8921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6920 11.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7299 10.9134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2325 11.7747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1888 11.5015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7441 11.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8092 10.7342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0054 11.1076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2213 12.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1510 11.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2628 12.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6746 10.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0068 10.2863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2414 10.5243 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 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 > LMISSP0502AD05 > > GalNAcbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C76H139N3O28 > 1541.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260192 > - > - > Active (generated by computational methods) > - $$$$