Accord 08271317192D 154162 0 0 0 0 0 0 0 0999 V2000 24.3830 7.3837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7705 7.7363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1579 7.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7372 6.7711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0289 6.7711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9958 7.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3873 6.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3873 5.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7748 6.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1040 8.3139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4291 8.3274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1578 6.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5404 6.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9230 6.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3056 6.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6883 6.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5402 7.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9228 7.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3054 7.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6880 7.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0706 7.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4533 7.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8359 7.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2185 7.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6883 5.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2185 6.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5419 6.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8655 6.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1890 6.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5125 6.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8361 6.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0177 5.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3471 5.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6766 5.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0060 5.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3354 5.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6648 5.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9943 5.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3237 5.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6531 5.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9826 5.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3120 5.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6414 5.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9709 5.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3003 5.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6297 5.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9591 5.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.6266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4398 9.4111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6526 9.6362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8605 9.4287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4510 10.1378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2383 9.9128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8722 10.1242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7491 9.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2640 9.5885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0109 9.8837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0305 10.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2992 10.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4507 9.6683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6635 9.8934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8714 9.6858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4620 10.3949 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2492 10.1700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8831 10.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7600 9.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2749 9.8457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4527 10.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0414 10.3774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3101 10.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4562 9.1132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6690 9.3383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8769 9.1308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4674 9.8398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2547 9.6149 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8886 9.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7655 8.9832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2804 9.2906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0273 9.5858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0469 9.8224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3156 10.1130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6547 8.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9282 8.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2981 8.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4672 9.3703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6799 9.5954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8878 9.3879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4784 10.0970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2656 9.8721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8995 10.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7764 9.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2914 9.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4691 10.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0578 10.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3266 10.3702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6019 9.6340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9570 9.1294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6594 8.3666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8450 8.4521 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4898 8.9568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1036 8.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3011 8.9987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1794 7.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5571 8.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7876 9.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1225 9.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3757 8.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6950 8.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1661 8.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3607 7.2455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5734 7.4706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7814 7.2631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3719 7.9721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1592 7.7472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7931 7.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 7.1155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1849 7.4229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3627 8.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 7.9547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2201 8.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4955 7.5091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8506 7.0045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5529 6.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7386 6.3272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3833 6.8320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9971 6.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1946 6.8739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 5.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 6.5251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6811 7.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 7.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2692 6.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5885 6.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0596 6.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2391 7.1155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2465 6.4045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5627 6.2095 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9254 5.6055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0662 6.4043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7353 6.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6216 6.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4362 5.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1646 5.2012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 6.5994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3455 9.2404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3529 8.5294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6692 8.3344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0319 7.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1727 8.5291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8418 8.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7281 8.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5427 7.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2710 7.3261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 8.7242 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 2 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 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 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 103110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 136137 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 135144 1 0 0 0 0 116135 1 0 0 0 0 145146 1 1 0 0 0 146147 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 145154 1 0 0 0 0 91145 1 0 0 0 0 M END > LMISSP0505AJ07 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C102H180N4O46 > 2197.19 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261050 > - > - > Active (generated by computational methods) > - $$$$