LMSP0601AT02 LIPID_MAPS_STRUCTURE_DATABASE 152158 0 0 0 999 V2000 29.8809 9.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9222 10.3069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9631 9.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4353 8.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.3267 8.7960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 30.8401 10.3085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3223 8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3223 7.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3634 8.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4441 11.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3877 11.2322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.3974 8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4310 8.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4645 8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4980 8.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5317 8.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9962 10.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0298 9.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0633 10.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0968 9.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1302 10.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1639 9.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1973 10.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2308 9.7550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5317 7.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2308 8.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1718 8.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1129 8.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0538 8.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9948 8.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9359 8.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4820 6.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4322 7.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3825 6.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3327 7.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2831 6.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2333 7.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1835 6.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1339 7.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0841 6.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0344 7.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8468 13.4660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3733 14.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4550 13.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7829 14.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0289 15.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9471 15.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1489 16.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2090 13.0206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8321 14.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3567 16.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6194 15.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8977 16.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8815 14.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8815 13.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0379 13.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1945 13.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1944 14.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3514 15.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5084 14.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6656 15.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0776 15.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8478 15.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5839 15.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0378 12.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3508 13.1499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.3514 16.0710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7275 13.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0378 15.0980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1944 15.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3508 12.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6938 11.9377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1265 11.9616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7266 13.5884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7267 12.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8832 12.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0396 12.6143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0396 13.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1966 14.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3536 13.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5106 14.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9228 14.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6930 14.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4291 14.6521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1960 12.1271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1966 15.0484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8831 14.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0396 14.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1960 11.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5390 10.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6655 16.0483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4756 12.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5250 12.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0496 13.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1380 14.9948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9509 11.8528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8527 12.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0603 13.5151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5106 15.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2404 12.8298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5250 15.6670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4757 14.3226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.5250 14.3226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9509 13.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0657 19.1142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2182 18.6341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3761 19.1282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5287 18.6482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5204 17.6695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3624 17.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8978 20.0756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2126 17.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3819 20.1022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6866 19.1423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6728 17.1894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8320 17.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9832 17.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8400 18.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9465 18.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2199 19.1671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2366 21.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8303 20.6499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0372 22.4961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8249 19.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9547 19.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0900 19.6615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0983 20.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9685 21.1540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9767 22.1525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8831 11.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9717 10.9389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2217 19.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2218 18.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3783 17.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5347 18.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5347 19.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6917 19.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8487 19.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0057 19.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4179 19.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1881 20.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9242 20.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6911 17.7128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6917 20.6341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3782 19.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5347 20.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6911 16.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0341 16.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0057 20.6362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7355 18.4155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3782 16.7387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4668 16.5246 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 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 M END > LMSP0601AT02 > GT1b(d18:1/18:0) > NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C95H165N5O47 > 2128.07 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > LEZNRPFLOGYEIO-QSEDPUOVSA-N > InChI=1S/C95H165N5O47/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-64(118)100-52(53(112)35-33-31-29-27-25-23-20-18-16-14-12-10-8-2)47-134-87-75(125)74(124)78(62(45-106)137-87)139-89-77(127)85(147-95(92(132)133)39-56(115)67(98-50(5)110)83(145-95)73(123)61(44-105)142-93(90(128)129)37-54(113)65(96-48(3)108)81(143-93)69(119)57(116)40-101)79(63(46-107)138-89)140-86-68(99-51(6)111)80(71(121)59(42-103)135-86)141-88-76(126)84(72(122)60(43-104)136-88)146-94(91(130)131)38-55(114)66(97-49(4)109)82(144-94)70(120)58(117)41-102/h33,35,52-63,65-89,101-107,112-117,119-127H,7-32,34,36-47H2,1-6H3,(H,96,108)(H,97,109)(H,98,110)(H,99,111)(H,100,118)(H,128,129)(H,130,131)(H,132,133)/b35-33+/t52-,53+,54-,55-,56-,57+,58+,59+,60+,61+,62+,63+,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-,93+,94-,95-/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(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > 60913 > Hex(3)-HexNAc-NeuAc(3)-Cer 36:1;O2 > - > SLM:000486398 > 44262117 > - > - > - > - > - > - > - $$$$