LMSP0601CS03 LIPID_MAPS_STRUCTURE_DATABASE 154160 0 0 0 999 V2000 18.2715 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3523 1.5449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4331 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8028 0.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7401 0.0967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1909 1.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7773 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7773 -1.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8582 0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8527 2.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8400 2.4318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9323 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0059 0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0794 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1531 0.0844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2268 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5062 1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5799 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6534 1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7269 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8003 1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8743 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9477 1.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0213 1.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2268 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0213 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0061 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9761 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9459 -0.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2205 -2.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2144 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2081 -2.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -2.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1894 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1832 -2.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1771 -1.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2405 5.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2660 5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7785 4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8041 4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3167 5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8041 6.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4074 6.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2659 3.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1149 3.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3422 5.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7786 6.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8041 7.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3674 5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8801 4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9056 4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4184 5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9056 6.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5088 6.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3673 3.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2163 3.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4437 5.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8802 6.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9056 7.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4691 5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9817 4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0071 4.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5198 5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0071 6.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6104 6.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4691 3.6601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3179 3.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5452 5.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9817 6.1922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0071 7.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8286 3.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5508 2.5080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0001 3.0929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3432 3.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8559 2.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8813 2.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3941 3.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8813 4.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4845 5.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3431 2.1269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1921 2.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4194 3.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 4.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2174 2.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2174 1.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3526 0.7839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4879 1.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4879 2.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 2.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 2.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 2.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 2.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 3.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 3.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -0.0238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6229 0.7839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6237 3.7787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7593 1.2839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9691 2.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3526 2.7812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4879 3.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6229 -0.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9494 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4182 -0.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0326 8.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5241 7.3445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5255 7.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0355 8.2249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 9.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0539 9.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0559 9.9644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 10.8338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5198 8.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3350 8.4603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3249 9.2981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0173 6.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0368 8.2353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5619 10.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5682 10.8442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5422 9.0741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0516 9.9433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5902 7.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8243 7.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1011 6.7819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5297 5.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2268 9.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8828 9.5222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 8.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6468 8.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9483 9.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 9.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5185 10.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 10.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1462 11.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 10.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0744 10.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 10.6547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3782 7.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 8.7772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7869 11.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7163 9.4910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 10.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 10.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4850 10.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 7.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0021 7.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 7.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2063 -2.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1999 -1.5790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1937 -2.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8124 -1.5790 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 41 42 1 0 0 0 43 42 1 0 0 0 44 43 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 45 50 1 0 0 0 41 50 1 0 0 0 42 47 1 6 0 0 43 48 1 1 0 0 44 49 1 6 0 0 46 51 1 0 0 0 41 40 1 1 0 0 52 53 1 0 0 0 54 53 1 0 0 0 55 54 1 0 0 0 55 56 1 0 0 0 56 57 1 1 0 0 56 61 1 0 0 0 52 61 1 0 0 0 53 58 1 6 0 0 54 59 1 1 0 0 55 60 1 1 0 0 57 62 1 0 0 0 52 49 1 1 0 0 63 64 1 0 0 0 65 64 1 0 0 0 66 65 1 0 0 0 66 67 1 0 0 0 67 68 1 1 0 0 67 72 1 0 0 0 63 72 1 0 0 0 64 69 1 6 0 0 65 70 1 1 0 0 66 71 1 1 0 0 68 73 1 0 0 0 69 74 1 0 0 0 74 75 1 0 0 0 74 76 2 0 0 0 63 60 1 1 0 0 77 78 1 0 0 0 79 78 1 0 0 0 80 79 1 0 0 0 80 81 1 0 0 0 81 82 1 1 0 0 81 86 1 0 0 0 77 86 1 0 0 0 78 83 1 6 0 0 79 84 1 1 0 0 80 85 1 1 0 0 77 70 1 1 0 0 95 96 2 0 0 0 95 97 1 0 0 0 87 95 1 1 0 0 88 87 1 0 0 0 88 89 1 0 0 0 87103 1 0 0 0 89 90 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 91103 1 0 0 0 92 93 1 0 0 0 93 94 1 0 0 0 89 98 1 6 0 0 90 99 1 1 0 0 92100 1 1 0 0 93101 1 6 0 0 94102 1 0 0 0 91104 1 1 0 0 99105 1 0 0 0 105106 1 0 0 0 105107 2 0 0 0 87 84 1 6 0 0 116117 2 0 0 0 116118 1 0 0 0 108116 1 1 0 0 109108 1 0 0 0 109110 1 0 0 0 108123 1 0 0 0 110111 1 0 0 0 111112 1 0 0 0 112113 1 0 0 0 112123 1 0 0 0 113114 1 0 0 0 114115 1 0 0 0 110119 1 6 0 0 111120 1 1 0 0 113121 1 1 0 0 115122 1 0 0 0 112124 1 1 0 0 120125 1 0 0 0 125126 1 0 0 0 125127 2 0 0 0 108 73 1 6 0 0 82128 1 0 0 0 138139 2 0 0 0 138140 1 0 0 0 130138 1 1 0 0 131130 1 0 0 0 131132 1 0 0 0 130146 1 0 0 0 132133 1 0 0 0 133134 1 0 0 0 134135 1 0 0 0 134146 1 0 0 0 135136 1 0 0 0 136137 1 0 0 0 132141 1 6 0 0 133142 1 1 0 0 135143 1 1 0 0 136144 1 6 0 0 137145 1 0 0 0 134147 1 1 0 0 142148 1 0 0 0 148149 1 0 0 0 148150 2 0 0 0 130129 1 6 0 0 114129 1 6 0 0 6 40 1 0 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 153154 1 0 0 0 0 39151 1 0 0 0 0 M END > LMSP0601CS03 > > NeuAcalpha2-3Galbeta1-3(NeuAcalpha2-8NeuAcalpha2-6)GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C97H169N5O47 > 2156.10 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > - > - > - > - > - > - > - > - > - > 44262510 > - > - > Active (generated by computational methods) > - > https://lipidmaps.org/databases/lmsd/LMSP0601CS03 $$$$