LMSP0601CT05 LIPID_MAPS_STRUCTURE_DATABASE 158164 0 0 0 999 V2000 25.1776 -5.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2340 -4.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2901 -5.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7231 -6.3115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6320 -6.3115 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1215 -4.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6435 -6.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6435 -7.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7000 -6.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7477 -3.9346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7079 -3.9138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7493 -6.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7981 -6.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8469 -6.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8957 -6.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9447 -6.8691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3385 -4.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3874 -5.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4362 -4.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4850 -5.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5337 -4.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5828 -5.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6314 -4.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6803 -5.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9447 -8.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6803 -6.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6379 -6.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5959 -6.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5536 -6.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5112 -6.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4692 -6.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9115 -8.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8785 -8.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8454 -8.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8123 -8.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7792 -8.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7459 -8.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7128 -8.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6798 -8.0047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1281 -1.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3634 -1.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8865 -2.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9327 -2.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4562 -1.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9329 -1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5445 -0.3836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3635 -3.5362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2580 -3.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5020 -1.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8867 -1.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9327 0.2908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7495 -2.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7957 -2.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3188 -1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4075 -0.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2264 -3.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1212 -3.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3261 -1.8718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7957 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7495 -1.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7957 -1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2264 -1.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6480 1.3951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3874 0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4394 0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1784 -0.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8672 -1.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8150 -1.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8467 1.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0744 -0.2420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7521 0.9015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2304 -0.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6061 -2.3779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6589 -2.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3976 -3.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9723 -1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2143 -2.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2184 -0.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7301 -0.1019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2458 0.6027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2286 -0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7206 -1.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7138 -1.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2200 -0.9624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7283 -0.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2343 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9783 -2.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7238 -2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4708 -3.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5267 -3.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8357 -2.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0886 -1.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3980 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4546 -1.5360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7640 -0.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0701 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8840 -1.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7116 -1.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2738 -4.5531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 -3.1709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6508 -0.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4273 -2.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0325 -1.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3414 -1.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6694 -4.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9399 -4.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3349 -4.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0109 0.0757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3033 -2.0613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1334 -3.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2151 -3.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4665 -2.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6362 -1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9703 -1.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2218 -0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6021 -1.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4084 -1.3780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1947 -0.9584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -3.0644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0577 -0.1778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5546 -1.4331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8056 -0.8058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 -3.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6877 -4.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 0.1181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7262 -2.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0453 -4.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1074 -4.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8398 2.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4266 1.6479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4531 1.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8926 2.3634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3056 3.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7453 4.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7725 3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2120 4.7640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2736 2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0841 2.9079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0204 3.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9188 2.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1582 4.9344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2792 3.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7182 4.1341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5560 1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8076 1.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6258 5.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3478 3.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0398 0.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1202 0.8683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6381 -8.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6051 -7.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5720 -8.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5389 -7.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5058 -8.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4725 -7.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4394 -8.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4064 -7.9795 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 6 40 1 0 0 0 0 41 42 1 0 0 0 43 42 1 0 0 0 44 43 1 0 0 0 44 45 1 0 0 0 45 46 1 1 0 0 45 50 1 0 0 0 41 50 1 0 0 0 42 47 1 6 0 0 43 48 1 1 0 0 44 49 1 1 0 0 46 51 1 0 0 0 53 52 1 0 0 0 54 53 1 0 0 0 52 56 1 6 0 0 53 57 1 1 0 0 41 58 1 1 0 0 54 58 1 6 0 0 55 59 1 0 0 0 61 60 1 0 0 0 54 61 1 0 0 0 61 55 1 1 0 0 62 52 1 0 0 0 62 60 1 0 0 0 65 71 1 1 0 0 66 72 1 1 0 0 67 73 1 6 0 0 68 49 1 1 0 0 64 63 1 1 0 0 65 64 1 0 0 0 66 65 1 0 0 0 67 66 1 0 0 0 68 67 1 0 0 0 70 68 1 0 0 0 64 70 1 0 0 0 69 63 1 0 0 0 73 74 1 0 0 0 74 75 2 0 0 0 74 76 1 0 0 0 80 86 1 0 0 0 85 79 1 0 0 0 79 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 85 86 1 1 0 0 81 72 1 1 0 0 82 77 1 6 0 0 84 78 1 1 0 0 96 97 2 0 0 0 96 98 1 0 0 0 88 96 1 1 0 0 89 88 1 0 0 0 89 90 1 0 0 0 88103 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 0 0 0 92103 1 0 0 0 93 94 1 0 0 0 94 95 1 0 0 0 90 99 1 6 0 0 91100 1 1 0 0 93101 1 1 0 0 94102 1 6 0 0 92104 1 1 0 0 100105 1 0 0 0 105106 1 0 0 0 105107 2 0 0 0 88 87 1 6 0 0 95108 1 0 0 0 117118 2 0 0 0 117119 1 0 0 0 109117 1 1 0 0 110109 1 0 0 0 110111 1 0 0 0 109122 1 0 0 0 111112 1 0 0 0 112113 1 0 0 0 113114 1 0 0 0 113122 1 0 0 0 114115 1 0 0 0 115116 1 0 0 0 112120 1 1 0 0 114121 1 1 0 0 113123 1 1 0 0 120124 1 0 0 0 124125 1 0 0 0 116126 1 0 0 0 115127 1 6 0 0 124129 2 0 0 0 111128 1 6 0 0 109102 1 6 0 0 83 87 1 1 0 0 62 40 1 1 0 0 138139 2 0 0 0 138140 1 0 0 0 130138 1 1 0 0 131130 1 0 0 0 131132 1 0 0 0 130143 1 0 0 0 132133 1 0 0 0 133134 1 0 0 0 134135 1 0 0 0 134143 1 0 0 0 135136 1 0 0 0 136137 1 0 0 0 133141 1 1 0 0 135142 1 1 0 0 134144 1 1 0 0 141145 1 0 0 0 145146 1 0 0 0 137147 1 0 0 0 136148 1 6 0 0 145150 2 0 0 0 132149 1 6 0 0 130 69 1 6 0 0 151152 1 0 0 0 0 152153 1 0 0 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 39151 1 0 0 0 0 M END > LMSP0601CT05 > > NeuAcalpha2-8NeuAcalpha2-3Galbeta1-3(NeuAcalpha2-6)GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C101H177N5O47 > 2212.16 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > XYTPIRDHPDDDMM-WPWKNCHRSA-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(123)106-58(59(117)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)52-140-93-82(131)80(129)86(67(50-111)143-93)147-94-83(132)81(130)85(68(51-112)144-94)146-92-74(105-57(6)116)87(79(128)69(145-92)53-141-99(96(134)135)43-60(118)71(102-54(3)113)88(150-99)75(124)63(121)46-107)148-95-84(133)91(77(126)65(48-109)142-95)153-101(98(138)139)45-62(120)73(104-56(5)115)90(152-101)78(127)66(49-110)149-100(97(136)137)44-61(119)72(103-55(4)114)89(151-100)76(125)64(122)47-108/h39,41,58-69,71-95,107-112,117-122,124-133H,7-38,40,42-53H2,1-6H3,(H,102,113)(H,103,114)(H,104,115)(H,105,116)(H,106,123)(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[C@]5(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C5)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C4)C(O)=O)[C@@H](O)[C@@H](CO)O3)O)CO[C@]3(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C3)C(O)=O)[C@H](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 > - > - > 44262520 > - > - > - > - > - > - > - $$$$