Accord 08271317192D 173183 0 0 0 0 0 0 0 0999 V2000 24.4093 7.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8228 7.4253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2360 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7484 6.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0702 6.5010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4557 6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4557 5.4759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8692 6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1421 7.9784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4958 7.9913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2783 6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6870 6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0957 6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5045 6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9132 6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3220 6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7307 6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1394 6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5482 6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9569 6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3657 6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7744 6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1831 6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5919 6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0006 6.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4094 6.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6445 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0532 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4619 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8707 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2794 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6882 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0969 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5056 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9144 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3231 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7319 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1406 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5494 7.4252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9582 7.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4635 9.0288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7096 9.2444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9511 9.0457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5589 9.7247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3129 9.5093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9623 9.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8020 8.9044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3799 9.1988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1375 9.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0715 9.7080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3712 9.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6010 9.2751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8471 9.4907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0885 9.2919 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6964 9.9710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4503 9.7556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0997 9.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9395 9.1506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5173 9.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6876 10.4127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2090 9.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5087 10.2326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7333 8.7435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9793 8.9591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2208 8.7604 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8287 9.4394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5826 9.2240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2320 9.4265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0718 8.6191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6496 8.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4072 9.1961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3412 9.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6409 9.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9656 8.4536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2276 8.2659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6241 8.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8655 8.2119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1116 8.4275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3530 8.2288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9609 8.9078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7149 8.6924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3643 8.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2040 8.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7818 8.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9521 9.3495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4735 8.8911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7732 9.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9978 7.6803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2438 7.8959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4853 7.6972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0932 8.3762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8471 8.1608 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4965 8.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3363 7.5559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9141 7.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6717 8.1329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6057 8.3595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9055 8.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2301 7.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4921 7.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8886 7.3904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 7.1487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3761 7.3643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6175 7.1656 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2254 7.8447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9794 7.6292 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6288 7.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4685 7.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0463 7.3187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2166 8.2864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7380 7.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0377 8.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3861 7.4012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7685 6.9180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4834 6.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7036 6.2694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3210 6.7528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9512 6.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0980 6.7929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0238 5.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4278 6.4589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6062 7.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9693 7.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1694 6.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4752 6.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9687 6.3335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0559 7.0243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0630 6.3434 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4082 6.1566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7978 5.5782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9327 6.3432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6158 6.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4222 6.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2870 5.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0269 5.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 6.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2367 9.6647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6976 10.2340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9435 10.4490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9516 11.2332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4909 10.6640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2922 11.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6041 9.8943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5297 10.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4649 11.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2450 10.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7840 11.0448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4284 9.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5583 9.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1344 9.9797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7457 10.1701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9917 10.3857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2332 10.1869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8411 10.8660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5950 10.6506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2444 10.8530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0842 10.0456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6620 10.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8323 11.3077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3537 10.8492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6534 11.1276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6715 10.0456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6786 9.3647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0238 9.1780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4135 8.5996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5483 9.3645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2314 9.0409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0379 9.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9027 8.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6425 8.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2032 9.5513 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 3 28 2 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 97104 1 0 0 0 0 115116 1 1 0 0 0 117116 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 115124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 126127 1 0 0 0 0 126128 2 0 0 0 0 111115 1 0 0 0 0 129130 1 1 0 0 0 130131 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 129138 1 0 0 0 0 110129 1 0 0 0 0 139140 1 1 0 0 0 141140 1 1 0 0 0 142141 1 1 0 0 0 142143 1 0 0 0 0 143144 1 0 0 0 0 143148 1 0 0 0 0 139148 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 142147 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 150151 1 0 0 0 0 150152 2 0 0 0 0 89139 1 0 0 0 0 153154 1 1 0 0 0 155154 1 1 0 0 0 156155 1 1 0 0 0 156157 1 0 0 0 0 157158 1 0 0 0 0 157162 1 0 0 0 0 153162 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 158163 1 0 0 0 0 146153 1 0 0 0 0 164165 1 1 0 0 0 165166 1 1 0 0 0 167166 1 1 0 0 0 167168 1 0 0 0 0 168169 1 0 0 0 0 168173 1 0 0 0 0 165170 1 0 0 0 0 166171 1 0 0 0 0 167172 1 0 0 0 0 164173 1 0 0 0 0 159164 1 0 0 0 0 M END > LMISSP0504BM02 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(Fucalpha1-2Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C110H193N5O56 > 2480.24 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260909 > - > - > Active (generated by computational methods) > - $$$$