LMSP0601ET06 LIPID_MAPS_STRUCTURE_DATABASE 160166 0 0 0 999 V2000 42.5620 12.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.6107 12.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6589 12.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.1121 11.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 42.0119 11.3127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 43.5137 12.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0153 10.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0153 9.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.0639 11.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.1285 13.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.0802 13.7301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.1054 10.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.1463 11.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.1872 10.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2282 11.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2694 10.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6994 12.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7404 12.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7814 12.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8224 12.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8632 12.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9045 12.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9453 12.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9863 12.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2694 9.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9863 11.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9354 10.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8846 11.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8339 10.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7829 11.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7322 10.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2277 9.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1862 9.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1445 9.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1029 9.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0612 9.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0197 9.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9780 9.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9365 9.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8948 9.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8532 9.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8115 9.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7698 9.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7283 9.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6866 9.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6451 9.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6034 9.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5618 9.0040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5201 9.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5203 15.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.4365 18.1101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.9177 18.7977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.0657 17.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.6483 17.6581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2600 14.8671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.2608 18.4173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2599 17.6579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4543 17.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.4541 16.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.2598 15.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0655 16.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8849 15.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.7139 15.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3183 16.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2488 16.5941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.6604 14.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 42.7139 14.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.9397 17.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.8532 15.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3183 14.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.2488 14.9825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1913 18.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5998 14.1047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1976 14.0810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8407 14.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6663 17.6500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4919 17.1742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8413 18.1265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8407 15.2676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4919 14.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0262 17.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2631 17.5411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5093 17.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1913 17.1736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0162 16.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8413 17.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6663 16.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6664 15.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4920 15.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3176 15.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3176 16.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7197 16.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4162 19.1153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3346 17.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.9670 14.7662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 35.8112 17.1493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.0991 18.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8060 16.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9752 15.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1494 16.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1576 17.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9885 17.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9960 18.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6287 15.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.1285 13.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3134 14.7798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.1365 14.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8247 15.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4224 15.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0656 15.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8911 18.5998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7168 18.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0662 19.0763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0656 16.2174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 27.7168 15.2640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2511 18.6884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4880 18.4909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7341 18.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4162 18.1234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2410 17.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0662 18.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8911 17.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8912 16.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7169 16.2174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5424 16.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5424 17.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7896 17.7206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6864 20.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6786 19.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8268 19.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8189 18.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6650 17.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5166 18.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7671 20.8426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.5219 19.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9836 19.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6569 16.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.2863 15.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7065 17.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5314 14.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1150 13.0199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7128 12.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3559 13.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1815 16.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0071 16.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3565 17.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3559 14.1828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0071 13.2294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5414 16.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7783 16.4563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0245 16.2021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7065 16.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5314 15.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3565 16.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1815 15.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1816 14.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0072 14.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8328 14.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8328 15.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2349 15.6860 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 68 51 1 0 0 0 59104 1 1 0 0 61 62 1 1 0 0 56 52 1 0 0 0 58 54 1 1 0 0 60 55 1 6 0 0 61 53 1 0 0 0 57 53 1 0 0 0 57 56 1 1 0 0 58 57 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 61 60 1 0 0 0 69 62 1 6 0 0 63 65 1 0 0 0 63 71 1 0 0 0 64 68 1 1 0 0 69 64 1 0 0 0 64 65 1 0 0 0 70 66 1 1 0 0 71 67 1 6 0 0 69 70 1 0 0 0 70 71 1 0 0 0 120 92 1 6 0 0 84 72 1 0 0 0 91 92 1 6 0 0 75 73 2 0 0 0 75 74 1 0 0 0 79 75 1 0 0 0 87 76 1 1 0 0 86 78 1 1 0 0 88 79 1 1 0 0 89 80 1 6 0 0 85 84 1 0 0 0 86 85 1 0 0 0 87 77 1 0 0 0 87 86 1 0 0 0 88 87 1 0 0 0 89 88 1 0 0 0 91 77 1 0 0 0 90 89 1 0 0 0 90 91 1 0 0 0 91 83 1 1 0 0 83 81 1 0 0 0 83 82 2 0 0 0 119 93 1 0 0 0 101 94 1 1 0 0 95107 1 0 0 0 97103 1 0 0 0 102 96 1 0 0 0 96 98 1 0 0 0 98 99 1 0 0 0 99100 1 0 0 0 100101 1 0 0 0 101102 1 0 0 0 102103 1 1 0 0 98104 1 1 0 0 99 95 1 6 0 0 107105 2 0 0 0 107106 1 0 0 0 131127 1 1 0 0 126127 1 6 0 0 110108 2 0 0 0 110109 1 0 0 0 114110 1 0 0 0 122111 1 1 0 0 121113 1 1 0 0 123114 1 1 0 0 124115 1 6 0 0 120119 1 0 0 0 121120 1 0 0 0 122112 1 0 0 0 122121 1 0 0 0 123122 1 0 0 0 124123 1 0 0 0 126112 1 0 0 0 125124 1 0 0 0 125126 1 0 0 0 126118 1 1 0 0 118116 1 0 0 0 118117 2 0 0 0 130136 1 1 0 0 132137 1 6 0 0 129128 1 1 0 0 130129 1 0 0 0 131130 1 0 0 0 132131 1 0 0 0 133132 1 0 0 0 135133 1 0 0 0 129135 1 0 0 0 134128 1 0 0 0 133 94 1 1 0 0 100138 1 1 0 0 152139 1 0 0 0 153140 1 6 0 0 159160 1 6 0 0 143141 2 0 0 0 143142 1 0 0 0 147143 1 0 0 0 155144 1 1 0 0 154146 1 1 0 0 156147 1 1 0 0 157148 1 6 0 0 153152 1 0 0 0 154153 1 0 0 0 155145 1 0 0 0 155154 1 0 0 0 156155 1 0 0 0 157156 1 0 0 0 159145 1 0 0 0 158157 1 0 0 0 158159 1 0 0 0 159151 1 1 0 0 151149 1 0 0 0 151150 2 0 0 0 85160 1 6 0 0 63 50 1 1 0 0 M END > LMSP0601ET06 > > NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C103H181N5O47 > 2240.19 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > CXRKBARYXJJBFR-NTNVBZJBSA-N > InChI=1S/C103H181N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-72(125)108-60(61(120)43-41-39-37-35-33-31-20-18-16-14-12-10-8-2)55-142-95-84(133)83(132)88(71(54-115)146-95)148-96-85(134)92(78(127)66(49-110)143-96)149-94-76(107-59(6)119)82(131)87(70(53-114)145-94)147-97-86(135)93(79(128)67(50-111)144-97)155-103(100(140)141)47-64(123)75(106-58(5)118)91(154-103)81(130)69(52-113)151-102(99(138)139)46-63(122)74(105-57(4)117)90(153-102)80(129)68(51-112)150-101(98(136)137)45-62(121)73(104-56(3)116)89(152-101)77(126)65(124)48-109/h41,43,60-71,73-97,109-115,120-124,126-135H,7-40,42,44-55H2,1-6H3,(H,104,116)(H,105,117)(H,106,118)(H,107,119)(H,108,125)(H,136,137)(H,138,139)(H,140,141)/b43-41+/t60-,61+,62-,63-,64-,65+,66+,67+,68+,69+,70+,71+,73+,74+,75+,76+,77+,78-,79-,80+,81+,82+,83+,84+,85+,86+,87-,88+,89+,90+,91+,92-,93-,94-,95+,96-,97-,101+,102+,103-/m0/s1 > [C@](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O[C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H]([C@@H](CO)O1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O[C@]1(C(=O)O)C[C@@H]([C@H]([C@]([C@@H]([C@@H](CO)O[C@]2(C(=O)O)C[C@@H]([C@H]([C@]([C@@H]([C@H](O[C@]3(C(=O)O)C[C@@H]([C@H]([C@]([C@@H]([C@@H](CO)O)O)(O3)[H])NC(C)=O)O)CO)O)(O2)[H])NC(C)=O)O)O)(O1)[H])NC(C)=O)O)O)CO)O)O)O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc-NeuAc(3)-Cer 44:1;O2 > - > - > 44262905 > - > - > - > - > - > - > - $$$$