Accord 08271317192D 170179 0 0 0 0 0 0 0 0999 V2000 24.5422 6.7071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0877 6.9687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6331 6.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8050 6.2526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2794 6.2526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8033 5.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3488 6.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3351 7.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8343 7.4074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8909 5.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4328 6.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9747 5.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5165 6.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0585 5.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1747 6.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7166 6.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2585 6.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8003 6.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3421 6.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8841 6.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4259 6.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9678 6.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0585 5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9678 6.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4658 5.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9639 6.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4619 5.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9598 6.2572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4579 5.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5609 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0633 5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5657 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0681 5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5705 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0729 5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5753 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0777 5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5801 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0825 5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5850 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0874 5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5898 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0922 5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5946 5.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0970 5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5843 8.2115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0001 8.3786 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4124 8.2246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1086 8.7508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6927 8.5838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4211 8.7407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0718 8.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9698 8.3432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7820 8.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2806 8.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7380 8.9535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3663 8.4024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7821 8.5694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1944 8.4154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8905 8.9416 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4747 8.7747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2031 8.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8537 8.3059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7518 8.5340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8837 9.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0625 8.9286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5199 9.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1442 7.9905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5601 8.1575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9723 8.0035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6685 8.5297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2527 8.3628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9810 8.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6317 7.8940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5297 8.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3419 8.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8405 8.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2979 8.7324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5494 7.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7524 7.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2848 7.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9262 8.1813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3420 8.3483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7543 8.1943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4504 8.7205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0346 8.5536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7630 8.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4137 8.0848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3117 8.3130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4436 9.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6225 8.7075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0798 8.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7042 7.7694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1200 7.9364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5322 7.7824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2284 8.3086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8126 8.1417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5409 8.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1916 7.6729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0896 7.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9018 8.1201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4004 8.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8578 8.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1094 7.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3123 7.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8447 7.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4861 7.9602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9019 8.1272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3142 7.9733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0104 8.4994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5945 8.3325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3229 8.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9736 7.8638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8716 8.0919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0035 8.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1824 8.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6398 8.7022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2641 7.5483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6799 7.7153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0921 7.5614 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7883 8.0875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3725 7.9206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1008 8.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7515 7.4519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6495 7.6800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4617 7.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9603 8.0746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4177 8.2903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6693 7.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8722 7.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4046 7.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0460 7.7391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4619 7.9062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8741 7.7522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5703 8.2784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1545 8.1114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8828 8.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5335 7.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4315 7.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5634 8.6206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7423 8.2654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1997 8.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9199 7.9348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4414 7.5603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2205 6.9943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6162 7.0578 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0946 7.4323 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8081 7.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6967 7.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8644 6.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3353 7.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3156 7.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 7.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2241 9.0858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8063 9.5270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2220 9.6936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2283 10.3012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6462 9.8602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4922 10.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7338 9.2638 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9014 10.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8512 10.3052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2305 9.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8733 10.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5978 9.1953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6984 8.9668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3700 9.3299 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 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 104110 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 137136 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 135144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 140145 1 0 0 0 0 129135 1 0 0 0 0 146147 1 1 0 0 0 148147 1 1 0 0 0 149148 1 1 0 0 0 149150 1 0 0 0 0 150151 1 0 0 0 0 150155 1 0 0 0 0 146155 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 151156 1 0 0 0 0 142146 1 0 0 0 0 157158 1 1 0 0 0 159158 1 1 0 0 0 160159 1 1 0 0 0 160161 1 0 0 0 0 161162 1 0 0 0 0 161166 1 0 0 0 0 157166 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 162167 1 0 0 0 0 163168 1 0 0 0 0 168169 1 0 0 0 0 168170 2 0 0 0 0 120157 1 0 0 0 0 M END > LMSP0505BW05 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C110H195N5O53 > 2434.27 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261360 > - > - > Active (generated by computational methods) > - $$$$