Accord 08271317192D 161169 0 0 0 0 0 0 0 0999 V2000 24.4093 8.1899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8233 8.5272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2371 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7481 7.6039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0705 7.6039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 8.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4566 7.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4566 6.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8707 7.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1423 9.0798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4967 9.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2804 7.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6897 7.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0990 7.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5084 7.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9177 7.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3270 7.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7363 7.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1457 7.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5550 7.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9643 7.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3737 7.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3813 6.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9726 6.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9802 5.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3912 5.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7989 5.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2099 5.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6175 5.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0286 5.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4361 5.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8473 5.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2549 5.5343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6659 5.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0736 5.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6463 8.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0556 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4649 8.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8742 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2835 8.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6929 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1022 8.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5116 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9209 8.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3303 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7396 8.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1488 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5583 8.5271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9675 8.1899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 10.1311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7099 10.3466 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9515 10.1479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5594 10.8268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3132 10.6115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9627 10.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8023 10.0066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3804 10.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1380 10.5836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0717 10.8101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3716 11.0884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6017 10.3773 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8479 10.5928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0895 10.3941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6975 11.0731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4513 10.8577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1007 11.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9403 10.2529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5184 10.5472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6887 11.5147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2097 11.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5096 11.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7345 9.8458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9808 10.0613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2224 9.8627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8303 10.5416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5841 10.3262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2336 10.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0732 9.7214 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6513 10.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4089 10.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3426 10.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6424 10.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9671 9.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2290 9.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6256 9.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8674 9.3143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1136 9.5299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3552 9.3312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9632 10.0101 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7169 9.7947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3664 9.9972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2060 9.1899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7841 9.4842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9543 10.4517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4754 9.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7753 10.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0002 8.7829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2464 8.9984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4880 8.7997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0960 9.4786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8498 9.2633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4993 9.4657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3389 8.6584 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9169 8.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6746 9.2354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6083 9.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9081 9.7402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2327 8.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4946 8.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8913 8.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1331 8.2514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3793 8.4669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6209 8.2682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2288 8.9471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9826 8.7318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6321 8.9342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4717 8.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0498 8.4213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2200 9.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7411 8.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0410 9.2087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3897 8.5038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7722 8.0207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4872 7.2903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7075 7.3722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3248 7.8555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9551 7.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1016 7.8956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0277 6.9183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4318 7.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6100 8.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9732 8.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1731 7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4788 7.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9724 7.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2389 10.7668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6999 11.3360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9459 11.5510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9541 12.3350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4932 11.7659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2945 12.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6064 10.9963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5323 11.9735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4675 12.3401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2472 11.5507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7863 12.1467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4308 10.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5607 10.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1369 11.0817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7484 11.2721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9946 11.4876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2362 11.2889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8442 11.9679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5979 11.7525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2474 11.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0870 11.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6651 11.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8353 12.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3564 11.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6563 12.2294 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 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 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 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 105112 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 139138 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 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 143148 1 0 0 0 0 148149 1 0 0 0 0 148150 2 0 0 0 0 97137 1 0 0 0 0 151152 1 1 0 0 0 153152 1 1 0 0 0 154153 1 1 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 155160 1 0 0 0 0 151160 1 0 0 0 0 152157 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 156161 1 0 0 0 0 144151 1 0 0 0 0 M END > LMISSP0504BI06 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C106H189N5O48 > 2300.25 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260881 > - > - > Active (generated by computational methods) > - $$$$