LMSP0601AT05 LIPID_MAPS_STRUCTURE_DATABASE 158164 0 0 0 999 V2000 22.1100 3.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1518 3.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1933 3.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6640 2.2836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5561 2.2836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0685 3.7951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5524 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5524 0.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5940 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6734 4.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6178 4.7183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6287 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6628 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6970 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7311 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7654 1.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2270 3.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2614 3.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2955 3.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3295 3.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3636 3.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3979 3.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4319 3.7933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4659 3.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7654 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4659 2.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4077 1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3495 2.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2911 1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2326 2.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1745 1.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7164 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6672 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6182 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5691 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5202 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4710 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4219 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3729 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3239 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2748 0.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0753 6.9506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6045 7.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6868 7.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0151 8.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2611 9.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1786 9.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3803 10.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4411 6.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0649 8.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5892 9.6843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8505 8.5866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1287 10.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1151 8.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1151 7.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2720 6.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4291 7.1215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4290 8.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5866 8.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7440 8.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9017 8.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3110 8.6968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0806 8.9563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8176 9.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2719 5.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5860 6.6347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5866 9.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9637 7.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2719 8.5816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4290 9.0676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5860 5.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9293 5.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3612 5.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9634 7.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9634 6.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1205 5.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2774 6.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2774 7.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4349 7.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5926 7.0729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 7.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1594 7.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 7.9343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6661 8.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4344 5.6126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4349 8.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1204 7.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2774 8.0455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4344 4.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7778 4.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9017 9.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7050 6.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7550 6.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2798 6.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3681 8.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1800 5.3385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0831 5.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2912 6.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 8.5341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4794 6.3148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7550 9.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7050 7.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7550 7.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1800 6.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2972 12.5952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4503 12.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6087 12.6092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7617 12.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7535 11.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5950 10.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1294 13.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4446 11.1421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6144 13.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9202 12.6233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9064 10.6717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0662 11.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2180 10.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0741 12.1409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1813 11.6356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4558 12.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4725 14.6438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0645 14.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2726 15.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0590 13.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1895 12.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3253 13.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3336 14.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2033 14.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2114 15.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1204 4.6391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2096 4.4251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4581 12.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4582 11.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6153 11.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7722 11.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7722 12.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9298 13.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0873 12.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2448 13.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6543 13.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4239 13.5165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1608 13.7181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9291 11.1947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9298 14.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6152 13.1418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7722 13.6277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9291 10.3399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2725 9.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2448 14.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9741 11.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6152 10.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7043 10.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2732 -0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1749 -0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1259 0.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9231 -0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9722 0.5612 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 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 0 0 0 45 44 1 0 0 0 46 45 1 0 0 0 46 47 1 0 0 0 47 48 1 1 0 0 47 52 1 0 0 0 43 52 1 0 0 0 44 49 1 6 0 0 45 50 1 1 0 0 46 51 1 1 0 0 48 53 1 0 0 0 62 63 2 0 0 0 62 64 1 0 0 0 54 62 1 1 0 0 55 54 1 0 0 0 55 56 1 0 0 0 54 69 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 58 69 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 56 65 1 6 0 0 57 66 1 1 0 0 59 67 1 1 0 0 60 68 1 6 0 0 58 70 1 1 0 0 66 71 1 0 0 0 71 72 1 0 0 0 71 73 2 0 0 0 54 50 1 6 0 0 82 83 2 0 0 0 82 84 1 0 0 0 74 82 1 1 0 0 75 74 1 0 0 0 75 76 1 0 0 0 74 87 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 78 87 1 0 0 0 79 80 1 0 0 0 80 81 1 0 0 0 77 85 1 1 0 0 79 86 1 1 0 0 78 88 1 1 0 0 85 89 1 0 0 0 89 90 1 0 0 0 61 91 1 0 0 0 74 68 1 6 0 0 93 92 1 0 0 0 94 93 1 0 0 0 92 96 1 6 0 0 93 97 1 1 0 0 43 98 1 1 0 0 81 99 1 0 0 0 94 98 1 6 0 0 80100 1 6 0 0 95101 1 0 0 0 103102 1 0 0 0 94103 1 0 0 0 103 95 1 1 0 0 104 92 1 0 0 0 104102 1 0 0 0 107113 1 1 0 0 108114 1 1 0 0 109115 1 6 0 0 110 51 1 1 0 0 106105 1 1 0 0 107106 1 0 0 0 108107 1 0 0 0 109108 1 0 0 0 110109 1 0 0 0 112110 1 0 0 0 106112 1 0 0 0 111105 1 0 0 0 115116 1 0 0 0 116117 2 0 0 0 116118 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 124114 1 1 0 0 125119 1 6 0 0 126120 1 1 0 0 127121 1 1 0 0 89131 2 0 0 0 76130 1 6 0 0 140141 2 0 0 0 140142 1 0 0 0 132140 1 1 0 0 133132 1 0 0 0 133134 1 0 0 0 132145 1 0 0 0 134135 1 0 0 0 135136 1 0 0 0 136137 1 0 0 0 136145 1 0 0 0 137138 1 0 0 0 138139 1 0 0 0 135143 1 1 0 0 137144 1 1 0 0 136146 1 1 0 0 143147 1 0 0 0 147148 1 0 0 0 139149 1 0 0 0 138150 1 6 0 0 147152 2 0 0 0 134151 1 6 0 0 132120 1 6 0 0 104 42 1 1 0 0 153154 1 0 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 156157 1 0 0 0 0 157158 1 0 0 0 0 41153 1 0 0 0 0 M END > LMSP0601AT05 > GT1b(d18:1/24:0) > NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C101H177N5O47 > 2212.16 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > KVXOPDXKSDJLFR-PGUGWMCSSA-N > InChI=1S/C101H177N5O47/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-70(124)106-58(59(118)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)53-140-93-81(131)80(130)84(68(51-112)143-93)145-95-83(133)91(153-101(98(138)139)45-62(121)73(104-56(5)116)89(151-101)79(129)67(50-111)148-99(96(134)135)43-60(119)71(102-54(3)114)87(149-99)75(125)63(122)46-107)85(69(52-113)144-95)146-92-74(105-57(6)117)86(77(127)65(48-109)141-92)147-94-82(132)90(78(128)66(49-110)142-94)152-100(97(136)137)44-61(120)72(103-55(4)115)88(150-100)76(126)64(123)47-108/h39,41,58-69,71-95,107-113,118-123,125-133H,7-38,40,42-53H2,1-6H3,(H,102,114)(H,103,115)(H,104,116)(H,105,117)(H,106,124)(H,134,135)(H,136,137)(H,138,139)/b41-39+/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-,99+,100-,101-/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@]4(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=O)[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(CCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc-NeuAc(3)-Cer 42:1;O2 > - > SLM:000486402 > 44262120 > - > - > - > - > - > - > - $$$$