Accord 08271317192D 147155 0 0 0 0 0 0 0 0999 V2000 24.4693 6.9787 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.9424 7.2820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4154 6.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7739 6.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1647 6.4518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9964 7.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6127 6.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6127 5.5309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0859 6.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2292 7.7788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6487 7.7905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5551 6.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0240 6.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4929 6.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9618 6.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4307 6.1403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8841 7.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3530 6.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8219 7.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2908 6.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7596 7.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2286 6.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6975 7.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1664 6.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4307 5.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1664 6.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5844 6.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0025 6.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4206 6.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8386 6.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2568 6.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8539 5.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2771 5.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7002 5.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1234 5.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5465 5.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9697 5.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3929 5.1733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8160 5.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.9081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5181 8.7227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8409 8.9164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1595 8.7378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.8073 9.3478 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4845 9.1543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1696 9.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9239 8.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6465 8.8754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4287 9.1293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1660 9.3328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5370 9.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9469 8.9439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2696 9.1376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5883 8.9591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2361 9.5690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9133 9.3756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5984 9.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3527 8.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0752 9.0966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2281 9.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5947 9.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9657 9.8040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3709 8.4664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6937 8.6601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0123 8.4816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6601 9.0915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3373 8.8981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0224 9.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7767 8.3546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4992 8.6191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2815 8.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0188 9.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3897 9.3265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6814 8.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9167 8.0374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3746 8.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7996 8.6877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1224 8.8813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4411 8.7028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0888 9.3128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7661 9.1193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4511 9.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2055 8.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9280 8.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0809 9.7095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4475 9.2977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8185 9.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2237 8.2102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5465 8.4038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8651 8.2253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5129 8.8353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1901 8.6418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8752 8.8236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6295 8.0984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3520 8.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1343 8.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8716 8.8202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2425 9.0703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5342 7.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7695 7.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2274 7.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6524 8.4314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9752 8.6250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2938 8.4465 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9416 9.0565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6188 8.8630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3039 9.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0582 8.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7808 8.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9337 9.4532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3003 9.0414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6713 9.2915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1877 8.6582 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6329 8.2241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3769 7.5679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6764 7.6415 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2310 8.0757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8988 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9289 8.1117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 7.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4287 7.8117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4872 8.7318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9151 8.3699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9931 7.9472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2677 8.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8128 7.6991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2597 6.6035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5825 6.7972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9012 6.6186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5490 7.2286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2262 7.0351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9112 7.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6656 6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3881 6.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 7.6254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9076 7.2136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2786 7.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6876 8.3196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6939 7.7080 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1058 7.5402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5575 7.0207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6787 7.7078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3940 7.4171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0166 8.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9969 7.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7633 6.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2669 7.8756 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 115114 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 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 109113 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 120127 1 0 0 0 0 138139 1 1 0 0 0 139140 1 1 0 0 0 141140 1 1 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 142147 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 138147 1 0 0 0 0 108138 1 0 0 0 0 M END > LMSP0505AW01 > > Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C94H166N4O47 > 2103.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261148 > - > - > Active (generated by computational methods) > - $$$$