LMSP0601CL08 LIPID_MAPS_STRUCTURE_DATABASE 161168 0 0 0 999 V2000 32.0614 10.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1312 10.6227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2007 10.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5993 9.1569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.5236 9.1569 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 32.9919 10.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5491 8.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5491 7.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6190 9.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6375 11.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6126 11.5204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.6818 8.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7441 9.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8065 8.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8688 9.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9312 8.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2627 10.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3250 10.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3874 10.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4497 10.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5119 10.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5744 10.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6366 10.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6991 10.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9312 7.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6991 9.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6715 8.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6442 9.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6168 8.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5893 9.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5620 8.5732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9129 6.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8944 7.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8760 6.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8576 7.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8392 6.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8207 7.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8024 6.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7839 7.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7654 6.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7471 6.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7287 7.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7102 6.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6917 7.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6734 6.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6549 7.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6365 6.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 7.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5997 6.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9984 13.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.4783 14.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5600 14.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8879 14.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1339 15.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0521 15.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2538 16.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3139 13.1511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9371 14.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4617 16.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7244 15.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0027 16.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9865 14.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9865 13.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1429 13.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2994 13.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2994 14.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4564 15.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6134 14.7415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7706 15.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1826 15.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9527 15.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6889 15.8053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1428 12.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4557 13.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4564 16.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8324 13.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1428 15.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2994 15.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4557 12.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7987 12.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2315 12.0921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8316 13.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8317 12.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9882 12.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1446 12.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1446 13.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3016 14.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4586 13.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6156 14.2055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0278 14.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7980 14.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5341 14.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9881 11.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3009 12.2576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3016 15.1789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9881 14.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1446 14.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3009 11.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6439 11.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0767 11.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7705 16.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5805 12.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6299 12.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1546 13.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2430 15.1253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0558 11.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9577 12.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1653 13.6456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6156 15.1810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3454 12.9603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6299 15.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5805 14.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6299 14.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0558 13.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1706 19.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3231 18.7646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4811 19.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6337 18.7787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6254 17.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4674 17.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0027 20.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3175 17.7906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4869 20.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7916 19.2728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7778 17.3199 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9370 17.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0882 17.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9450 18.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0515 18.2844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3248 19.2976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3415 21.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9353 20.7804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1422 22.6266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9298 19.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0597 19.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1950 19.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2033 20.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0735 21.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0817 22.2830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8998 17.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9698 18.4242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4690 20.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1074 20.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8976 21.8514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3619 19.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6493 18.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6824 19.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4319 20.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1446 20.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8940 21.7626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5308 17.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6009 17.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1001 19.5149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7385 19.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5287 21.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9929 18.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2804 18.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3135 18.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0630 19.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7757 19.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5251 20.9200 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 39 40 1 0 0 0 0 40 41 2 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 51 52 1 0 0 0 53 52 1 0 0 0 54 53 1 0 0 0 54 55 1 0 0 0 55 56 1 1 0 0 55 60 1 0 0 0 51 60 1 0 0 0 52 57 1 6 0 0 53 58 1 1 0 0 54 59 1 1 0 0 56 61 1 0 0 0 70 71 2 0 0 0 70 72 1 0 0 0 62 70 1 1 0 0 63 62 1 0 0 0 63 64 1 0 0 0 62 77 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 66 77 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 64 73 1 6 0 0 65 74 1 1 0 0 67 75 1 1 0 0 68 76 1 6 0 0 66 78 1 1 0 0 74 79 1 0 0 0 79 80 1 0 0 0 79 81 2 0 0 0 62 58 1 6 0 0 90 91 2 0 0 0 90 92 1 0 0 0 82 90 1 1 0 0 83 82 1 0 0 0 83 84 1 0 0 0 82 96 1 0 0 0 84 85 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 86 96 1 0 0 0 87 88 1 0 0 0 88 89 1 0 0 0 84 93 1 6 0 0 85 94 1 1 0 0 87 95 1 1 0 0 86 97 1 1 0 0 94 98 1 0 0 0 98 99 1 0 0 0 98100 2 0 0 0 69101 1 0 0 0 82 76 1 6 0 0 103102 1 0 0 0 102106 1 6 0 0 103107 1 1 0 0 51108 1 1 0 0 89109 1 0 0 0 104108 1 6 0 0 88110 1 6 0 0 105111 1 0 0 0 113112 1 0 0 0 104113 1 0 0 0 113105 1 1 0 0 114102 1 0 0 0 114112 1 0 0 0 117123 1 1 0 0 118124 1 1 0 0 119125 1 6 0 0 120 59 1 1 0 0 116115 1 1 0 0 117116 1 0 0 0 118117 1 0 0 0 119118 1 0 0 0 120119 1 0 0 0 122120 1 0 0 0 116122 1 0 0 0 121115 1 0 0 0 125126 1 0 0 0 126127 2 0 0 0 126128 1 0 0 0 133139 1 0 0 0 138132 1 0 0 0 132134 1 0 0 0 134135 1 0 0 0 135136 1 0 0 0 136137 1 0 0 0 137138 1 0 0 0 138139 1 1 0 0 134124 1 1 0 0 135129 1 6 0 0 136130 1 1 0 0 137131 1 1 0 0 149143 1 0 0 0 143145 1 0 0 0 145146 1 0 0 0 146147 1 0 0 0 147148 1 0 0 0 148149 1 0 0 0 145130 1 1 0 0 146140 1 6 0 0 147141 1 1 0 0 148142 1 1 0 0 144150 1 0 0 0 149150 1 1 0 0 160154 1 0 0 0 154156 1 0 0 0 156157 1 0 0 0 157158 1 0 0 0 158159 1 0 0 0 159160 1 0 0 0 157151 1 6 0 0 158152 1 1 0 0 159153 1 1 0 0 155161 1 0 0 0 160161 1 1 0 0 156141 1 1 0 0 104103 1 0 0 0 114 50 1 1 0 0 M END > LMSP0601CL08 > > Galalpha1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C104H182N4O49 > 2271.19 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > SVRLHHUXDJLIHU-VSQQWSTJSA-N > InChI=1S/C104H182N4O49/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-70(124)108-58(59(120)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)54-142-96-83(134)81(132)87(68(52-115)147-96)149-100-86(137)94(157-104(102(140)141)45-61(122)72(106-56(4)118)91(156-104)79(130)67(51-114)154-103(101(138)139)44-60(121)71(105-55(3)117)90(155-103)74(125)62(123)46-109)88(69(53-116)148-100)150-95-73(107-57(5)119)89(76(127)64(48-111)143-95)151-98-84(135)93(78(129)65(49-112)145-98)153-99-85(136)92(77(128)66(50-113)146-99)152-97-82(133)80(131)75(126)63(47-110)144-97/h20-21,40,42,58-69,71-100,109-116,120-123,125-137H,6-19,22-39,41,43-54H2,1-5H3,(H,105,117)(H,106,118)(H,107,119)(H,108,124)(H,138,139)(H,140,141)/b21-20-,42-40+/t58-,59+,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,71+,72+,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-,98-,99-,100-,103+,104-/m0/s1 > [C@](CO[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2NC(C)=O)O[C@H]2[C@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O4)[C@@H](O)[C@@H](CO)O3)[C@@H](O)[C@@H](CO)O2)O)CO)[C@H](O[C@]2(O[C@@]([H])([C@H](O)[C@H](O[C@]3(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C3)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C2)C(O)=O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(5)-HexNAc-NeuAc(2)-Cer 44:2;O2 > - > - > 44262459 > - > - > - > - > - > - > - $$$$