Accord 08271317192D 156164 0 0 0 0 0 0 0 0999 V2000 24.3830 8.3308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7706 8.6834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1579 8.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7372 7.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0289 7.7183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9958 8.6844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3873 7.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3873 6.6478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7748 7.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1040 9.2610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4291 9.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1578 7.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5404 7.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9230 7.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3056 7.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6883 7.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5403 8.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9229 8.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3055 8.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6881 8.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0706 8.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4534 8.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8359 8.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2185 8.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6883 6.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2185 7.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5420 7.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8656 7.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1891 7.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5125 7.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8360 7.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0177 6.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3472 6.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6766 6.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0061 6.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3355 6.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6648 6.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9943 6.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3237 6.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6531 6.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9826 6.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3120 6.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6414 6.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9709 6.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3003 6.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6298 6.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4398 10.3582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6526 10.5833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8605 10.3758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4511 11.0849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2383 10.8600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8722 11.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7491 10.2283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2641 10.5357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0109 10.8308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0305 11.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2992 11.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4508 10.6154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6635 10.8405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8714 10.6330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4619 11.3420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2493 11.1171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8832 11.3285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7600 10.4854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2750 10.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4527 11.8033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0414 11.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3102 11.6152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4563 10.0603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6690 10.2854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8769 10.0779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4675 10.7870 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2548 10.5620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8887 10.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7656 9.9303 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2804 10.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0274 10.5329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0469 10.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3157 11.0601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6547 9.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9283 9.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2981 9.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4671 10.3174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6799 10.5426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8878 10.3350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4784 11.0441 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2656 10.8192 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8995 11.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7764 10.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2914 10.4949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4691 11.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0578 11.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3265 11.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6019 10.5811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9570 10.0765 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6594 9.3137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8451 9.3992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4898 9.9040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1036 9.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3011 9.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1794 8.9251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5571 9.5971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7876 10.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1226 10.2460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3757 9.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6950 9.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1661 9.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3607 8.1926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5735 8.4177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7814 8.2102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3720 8.9193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1592 8.6943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7931 8.9057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 8.0626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1849 8.3700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3627 9.3805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9514 8.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2201 9.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4955 8.4562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8506 7.9516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5530 7.1889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7386 7.2744 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3834 7.7791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9972 7.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1947 7.8210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0730 6.8003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 7.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6812 8.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0161 8.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2693 7.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5886 7.7359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0597 7.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2391 8.0626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2465 7.3517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5628 7.1566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9255 6.5527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0663 7.3514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7353 7.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6217 7.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4362 6.6639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1646 6.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 7.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3455 10.1875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3529 9.4765 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6692 9.2815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0319 8.6775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1727 9.4762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8418 9.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7281 9.8597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5427 8.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2710 8.2732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8564 9.6714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6298 5.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0778 5.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4896 5.5409 0.0000 C 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 6 47 1 0 0 0 0 48 49 1 1 0 0 0 50 49 1 1 0 0 0 51 50 1 1 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 52 57 1 0 0 0 0 48 57 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 53 58 1 0 0 0 0 47 48 1 0 0 0 0 59 60 1 1 0 0 0 61 60 1 1 0 0 0 62 61 1 1 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 63 68 1 0 0 0 0 59 68 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 64 69 1 0 0 0 0 56 59 1 0 0 0 0 70 71 1 1 0 0 0 72 71 1 1 0 0 0 73 72 1 1 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 74 79 1 0 0 0 0 70 79 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 81 82 1 0 0 0 0 81 83 2 0 0 0 0 66 70 1 0 0 0 0 84 85 1 1 0 0 0 86 85 1 1 0 0 0 87 86 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 93 1 0 0 0 0 84 93 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 89 94 1 0 0 0 0 78 84 1 0 0 0 0 95 96 1 1 0 0 0 97 96 1 1 0 0 0 98 97 1 1 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 99104 1 0 0 0 0 95104 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 106107 1 0 0 0 0 106108 2 0 0 0 0 91 95 1 0 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 109118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 114119 1 0 0 0 0 102109 1 0 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 123122 1 1 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 124129 1 0 0 0 0 120129 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 131132 1 0 0 0 0 131133 2 0 0 0 0 116120 1 0 0 0 0 134135 1 1 0 0 0 135136 1 1 0 0 0 137136 1 1 0 0 0 137138 1 0 0 0 0 138139 1 0 0 0 0 138143 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 134143 1 0 0 0 0 115134 1 0 0 0 0 144145 1 1 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 147148 1 0 0 0 0 148149 1 0 0 0 0 148153 1 0 0 0 0 145150 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 144153 1 0 0 0 0 90144 1 0 0 0 0 46154 1 0 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 M END > LMISSP0505AJ06 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C104H186N4O46 > 2227.23 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261049 > - > - > Active (generated by computational methods) > - $$$$