Accord 08271317182D 122127 0 0 0 0 0 0 0 0999 V2000 24.2862 8.8564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5782 9.2640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8699 8.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6956 8.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8769 8.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9946 9.2652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1351 7.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1351 6.9109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4271 8.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9637 9.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1835 9.9474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7138 7.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0000 8.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2863 7.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5726 8.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8590 7.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1452 8.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4315 7.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7178 8.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0040 7.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2903 8.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5766 7.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5858 6.9073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3003 6.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3095 5.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5978 5.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8821 5.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1704 5.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4546 5.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7430 5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0271 5.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3156 5.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5997 5.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8881 5.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1724 5.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1559 9.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4422 8.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7284 9.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0147 8.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3010 9.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5874 8.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8736 9.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1599 8.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4462 9.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7325 8.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0187 9.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3049 8.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5913 9.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8775 8.8564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 11.4513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3519 11.2020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4411 11.4624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5247 11.2223 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0510 12.0427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9618 11.7825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5383 12.0271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5528 11.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8347 11.4073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5418 11.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8783 12.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0323 12.3588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8937 11.4995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9829 11.7600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0665 11.5199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5928 12.3402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5037 12.0800 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0801 12.3246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0946 11.3492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3765 11.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5822 12.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4201 12.3200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5741 12.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9341 12.6246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0233 12.8850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1069 12.6449 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6332 13.4653 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5440 13.2051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1205 13.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1350 12.4742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.4168 12.8299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6225 13.8693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4605 13.4451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6145 13.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0067 12.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3232 12.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5942 12.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4696 11.9824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5588 12.2428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6424 12.0027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1687 12.8231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0795 12.5629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6560 12.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6705 11.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9524 12.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1581 13.3567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9960 12.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1500 13.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0052 11.3402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0944 11.6006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1780 11.3605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7043 12.1809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6151 11.9207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1915 12.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2060 11.1898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4879 11.5455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6916 12.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5316 12.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6856 12.4970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0778 10.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3943 10.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6652 10.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0435 12.4939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1327 12.7543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2163 12.5142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7426 13.3346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6534 13.0744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2299 13.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2444 12.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5263 12.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7320 13.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5699 13.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7239 13.6507 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 2 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 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 70 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 M END > LMISSP0503AD08 > > Galbeta1-4GalNAcbeta1-3Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C84H151N3O33 > 1730.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260515 > - > - > Active (generated by computational methods) > - $$$$