LMSP0601CL02 LIPID_MAPS_STRUCTURE_DATABASE 153160 0 0 0 999 V2000 20.9400 -12.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0124 -11.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0845 -12.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4766 -13.1507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4036 -13.1507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8683 -11.6872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4319 -13.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4319 -14.7722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5041 -13.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5174 -10.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4952 -10.7934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5694 -13.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6344 -13.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6989 -13.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7640 -13.1632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8287 -13.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1488 -11.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2136 -12.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2783 -11.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3432 -12.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4078 -11.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4730 -12.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5376 -11.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6024 -12.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8287 -14.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6024 -13.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5775 -13.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5529 -13.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5281 -13.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5034 -13.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4787 -13.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8131 -15.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7972 -14.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7815 -15.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7659 -14.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -15.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7340 -14.8158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7184 -15.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8259 -8.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3099 -7.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3915 -8.2051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7194 -7.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9655 -6.6148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8836 -6.3687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0853 -5.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1455 -9.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7687 -7.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2933 -5.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5559 -7.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8343 -5.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8180 -7.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8180 -8.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9745 -8.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1310 -8.5069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1310 -7.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2880 -7.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4450 -7.5330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6021 -7.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0142 -6.9306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7843 -6.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5205 -6.4692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9744 -9.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2873 -8.9941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2880 -6.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6639 -8.5741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9744 -7.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1310 -6.5597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2873 -9.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6303 -10.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0631 -10.1823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6631 -8.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6632 -9.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8197 -10.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9761 -9.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9761 -8.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1331 -8.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2901 -8.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4471 -8.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8593 -7.9534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6296 -7.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3657 -7.4919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8197 -10.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1325 -10.0169 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1331 -7.0956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8197 -8.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9761 -7.5824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1325 -10.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4755 -11.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9082 -11.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6021 -6.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4121 -9.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4614 -9.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9861 -8.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0745 -7.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8873 -10.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7892 -10.1401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9968 -8.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4471 -7.0935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1769 -9.3142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4614 -6.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4121 -7.8214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4614 -7.8214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8873 -8.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0022 -3.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1547 -3.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3127 -3.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4653 -3.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4569 -4.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2990 -4.9686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8343 -2.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1490 -4.4839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3184 -2.0418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6231 -3.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6093 -4.9546 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7686 -4.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9198 -4.9407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7766 -3.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8525 -14.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8831 -3.9901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1563 -2.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 -0.9799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7668 -1.4941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9737 0.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7614 -2.4974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8912 -2.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0266 -2.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0348 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9050 -0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9132 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7313 -4.3819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8014 -3.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3006 -1.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9390 -1.7423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7291 -0.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1935 -2.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4809 -3.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5139 -3.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2634 -2.1811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9762 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7256 -0.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3624 -5.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4324 -4.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9316 -2.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5701 -2.5849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3603 -1.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8244 -3.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 -4.2581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -3.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8946 -3.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6073 -2.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3567 -1.3544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8502 -15.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9843 -14.9931 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 6 39 1 0 0 0 0 40 41 1 0 0 0 42 41 1 0 0 0 43 42 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 44 49 1 0 0 0 40 49 1 0 0 0 41 46 1 6 0 0 42 47 1 1 0 0 43 48 1 1 0 0 45 50 1 0 0 0 59 60 2 0 0 0 59 61 1 0 0 0 51 59 1 1 0 0 52 51 1 0 0 0 52 53 1 0 0 0 51 66 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 55 66 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 53 62 1 6 0 0 54 63 1 1 0 0 56 64 1 1 0 0 57 65 1 6 0 0 55 67 1 1 0 0 63 68 1 0 0 0 68 69 1 0 0 0 68 70 2 0 0 0 51 47 1 6 0 0 79 80 2 0 0 0 79 81 1 0 0 0 71 79 1 1 0 0 72 71 1 0 0 0 72 73 1 0 0 0 71 85 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 75 85 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 73 82 1 6 0 0 74 83 1 1 0 0 76 84 1 1 0 0 75 86 1 1 0 0 83 87 1 0 0 0 87 88 1 0 0 0 87 89 2 0 0 0 58 90 1 0 0 0 71 65 1 6 0 0 92 91 1 0 0 0 93 92 1 0 0 0 91 95 1 6 0 0 92 96 1 1 0 0 40 97 1 1 0 0 78 98 1 0 0 0 93 97 1 6 0 0 77 99 1 6 0 0 94100 1 0 0 0 102101 1 0 0 0 93102 1 0 0 0 102 94 1 1 0 0 103 91 1 0 0 0 103101 1 0 0 0 106112 1 1 0 0 107113 1 1 0 0 108114 1 6 0 0 109 48 1 1 0 0 105104 1 1 0 0 106105 1 0 0 0 107106 1 0 0 0 108107 1 0 0 0 109108 1 0 0 0 111109 1 0 0 0 105111 1 0 0 0 110104 1 0 0 0 114115 1 0 0 0 115116 2 0 0 0 115117 1 0 0 0 103 39 1 1 0 0 38118 1 0 0 0 123129 1 0 0 0 128122 1 0 0 0 122124 1 0 0 0 124125 1 0 0 0 125126 1 0 0 0 126127 1 0 0 0 127128 1 0 0 0 128129 1 1 0 0 124113 1 1 0 0 125119 1 6 0 0 126120 1 1 0 0 127121 1 1 0 0 139133 1 0 0 0 133135 1 0 0 0 135136 1 0 0 0 136137 1 0 0 0 137138 1 0 0 0 138139 1 0 0 0 135120 1 1 0 0 136130 1 6 0 0 137131 1 1 0 0 138132 1 1 0 0 134140 1 0 0 0 139140 1 1 0 0 150144 1 0 0 0 144146 1 0 0 0 146147 1 0 0 0 147148 1 0 0 0 148149 1 0 0 0 149150 1 0 0 0 147141 1 6 0 0 148142 1 1 0 0 149143 1 1 0 0 145151 1 0 0 0 150151 1 1 0 0 146131 1 1 0 0 152153 1 0 0 0 118152 1 0 0 0 0 M END > LMSP0601CL02 > > Galalpha1-3Galalpha1-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C96H168N4O49 > 2161.08 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > ADGJMVWEDATUQG-XLFZNQNXSA-N > InChI=1S/C96H168N4O49/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-62(116)100-50(51(112)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)46-134-88-75(126)73(124)79(60(44-107)139-88)141-92-78(129)86(149-96(94(132)133)37-53(114)64(98-48(4)110)83(148-96)71(122)59(43-106)146-95(93(130)131)36-52(113)63(97-47(3)109)82(147-95)66(117)54(115)38-101)80(61(45-108)140-92)142-87-65(99-49(5)111)81(68(119)56(40-103)135-87)143-90-76(127)85(70(121)57(41-104)137-90)145-91-77(128)84(69(120)58(42-105)138-91)144-89-74(125)72(123)67(118)55(39-102)136-89/h32,34,50-61,63-92,101-108,112-115,117-129H,6-31,33,35-46H2,1-5H3,(H,97,109)(H,98,110)(H,99,111)(H,100,116)(H,130,131)(H,132,133)/b34-32+/t50-,51+,52-,53-,54+,55+,56+,57+,58+,59+,60+,61+,63+,64+,65+,66+,67-,68-,69-,70-,71+,72-,73+,74+,75+,76+,77+,78+,79+,80-,81+,82+,83+,84-,85-,86+,87-,88+,89-,90-,91-,92-,95+,96-/m0/s1 > [C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@@H]([C@@H]([C@@H]([C@H]3NC(C)=O)O[C@H]3[C@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O5)[C@@H](O)[C@@H](CO)O4)[C@@H](O)[C@@H](CO)O3)O)CO)[C@H](O[C@]3(O[C@@]([H])([C@H](O)[C@H](O[C@]4(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C3)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(5)-HexNAc-NeuAc(2)-Cer 36:1;O2 > - > - > 178333353 > - > - > - > - > - > - > - $$$$