Accord 08271317192D 146153 0 0 0 0 0 0 0 0999 V2000 24.4233 7.1528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8509 7.4823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2782 7.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0923 6.5802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4926 6.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4926 5.5797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9202 6.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1625 8.0222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5317 8.0348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3434 6.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7663 6.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1893 6.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6122 6.5726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0352 6.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7009 7.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1238 7.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5468 7.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9697 7.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3925 7.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8156 7.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2385 7.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6614 7.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0352 5.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6614 6.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0291 6.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3968 6.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7645 6.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1322 6.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4999 6.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4085 5.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7817 5.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1549 5.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5281 5.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9014 5.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2746 5.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6478 5.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0211 5.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3943 5.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7675 5.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1408 5.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5140 5.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8872 5.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2605 5.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6337 5.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0069 5.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3801 5.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7534 5.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4764 9.0477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7406 9.2581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0002 9.0642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6175 9.7269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3534 9.5167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0112 9.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8308 8.9263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4427 9.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2062 9.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0938 9.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4103 9.9823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6826 9.2881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9467 9.4985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2064 9.3045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8237 9.9673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5595 9.7571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2174 9.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0370 9.1666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6489 9.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8151 10.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3000 9.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6165 10.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8837 8.7693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1478 8.9797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4075 8.7857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0248 9.4485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7606 9.2382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4184 9.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2380 8.6478 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8500 8.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6134 9.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5010 9.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8176 9.7038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1345 8.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3901 8.3031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8011 8.4863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0898 9.0096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3540 9.2200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6136 9.0261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2309 9.6888 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9668 9.4786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6246 9.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4442 8.8882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0561 9.1755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2223 10.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7072 9.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0237 9.9442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2909 8.4908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5551 8.7012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8147 8.5072 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4320 9.1700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1679 8.9598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8257 9.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6453 8.3693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2572 8.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0207 8.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9083 9.1537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2248 9.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5417 8.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7974 8.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2084 8.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4971 8.7312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7612 8.9416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0209 8.7476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6382 9.4104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3740 9.2001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0318 9.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8515 8.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4634 8.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6296 9.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1145 9.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4310 9.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6982 8.2123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9623 8.4227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2220 8.2288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8393 8.8916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5751 8.6813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2329 8.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0525 8.0909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 8.3782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4279 8.6541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3155 8.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6321 9.1469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9489 7.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 7.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6156 7.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6128 8.5761 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6197 7.9116 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9807 7.7293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3850 7.1648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5166 7.9113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2073 7.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9704 8.2697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8624 7.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6085 6.7868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1557 8.0937 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 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 69 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 81 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 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 1 0 0 0 0 137138 1 1 0 0 0 138139 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 137146 1 0 0 0 0 105137 1 0 0 0 0 M END > LMSP0505BH06 > > GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C98H176N4O42 > 2081.18 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261241 > - > - > Active (generated by computational methods) > - $$$$