Accord 08271317192D 161170 0 0 0 0 0 0 0 0999 V2000 24.4150 7.1783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8343 7.5126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2534 7.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7508 6.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0793 6.5975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4709 6.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4709 5.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8902 6.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1505 8.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5106 8.0731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3052 6.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7198 6.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1344 6.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5491 6.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9638 6.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6678 7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0824 7.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4971 7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9117 7.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3262 7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7410 7.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1556 7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5702 7.1783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9638 5.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5702 6.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9288 6.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2874 6.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6460 6.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0046 6.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3632 6.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3280 5.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6922 5.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0564 5.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4206 5.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7848 5.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1490 5.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5132 5.1883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8774 5.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4689 9.1006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7225 9.3140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9715 9.1172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5832 9.7895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3297 9.5763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9826 9.7767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8140 8.9773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4059 9.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1659 9.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0808 9.7730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3874 10.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6348 9.3444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8884 9.5578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1374 9.3611 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7492 10.0334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4956 9.8201 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1485 10.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9799 9.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5719 9.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7404 10.4707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2467 10.0168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5534 10.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7956 8.8181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0492 9.0315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2982 8.8348 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9100 9.5071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6564 9.2938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3093 9.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1407 8.6949 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7327 8.9863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4927 9.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4075 9.4905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7142 9.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0356 8.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2950 8.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6975 8.5310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9616 9.0619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2151 9.2753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4641 9.0786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0759 9.7509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8224 9.5376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4753 9.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3067 8.9387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8986 9.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0672 10.1882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5734 9.7343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8801 10.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1224 8.5356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3759 8.7490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6249 8.5523 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2367 9.2246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9832 9.0113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6361 9.2118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4675 8.4124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0594 8.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8194 8.9837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7342 9.2080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0409 9.4836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3624 8.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6217 8.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0243 8.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2883 8.7794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5419 8.9929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7909 8.7961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4027 9.4684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1491 9.2552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8020 9.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6334 8.6562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2254 8.9477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3939 9.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9002 9.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2069 9.7274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2249 8.6562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8877 8.0724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2356 8.2433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4240 8.0579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9244 8.6418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4913 8.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3788 8.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8945 7.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 7.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 8.4711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5717 9.0294 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8206 8.8331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2743 8.2815 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5979 8.6626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3490 8.8589 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9482 8.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0707 8.5900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7104 8.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4219 8.9431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8954 9.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 9.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0637 8.3955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3815 8.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7726 8.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3490 10.5002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8152 11.0638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0686 11.2768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0767 12.0531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6106 11.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4138 11.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7226 10.7275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6590 11.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5948 12.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3572 11.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9007 11.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5487 10.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6774 10.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2577 10.8121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0637 11.8539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5299 12.4175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7833 12.6305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7914 13.4068 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3253 12.8432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1286 13.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4373 12.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3737 13.0488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0065 13.7877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0719 12.6302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6155 13.2203 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 108113 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 109123 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 87137 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 145151 1 0 0 0 0 M END > LMISSP0505EE01 > > Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C102H179N5O52 > 2306.15 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261764 > - > - > Active (generated by computational methods) > - $$$$