LMSP0601BL02 LIPID_MAPS_STRUCTURE_DATABASE 155161 0 0 0 999 V2000 21.4075 -7.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4459 -6.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4841 -7.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9634 -8.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8515 -8.4802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3693 -6.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8444 -9.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8444 -10.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8829 -8.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9694 -6.0584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9100 -6.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9142 -9.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9451 -8.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9759 -9.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0067 -8.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0375 -9.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5145 -6.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5455 -7.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5763 -6.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6072 -7.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6378 -6.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6689 -7.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6996 -6.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7304 -7.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0375 -10.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7304 -8.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6684 -9.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6066 -8.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 -9.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4826 -8.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4207 -9.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9850 -10.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9323 -10.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8798 -10.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8270 -10.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7744 -10.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7218 -10.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6692 -10.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6165 -10.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3759 -3.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8189 -3.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9005 -3.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2285 -2.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4745 -2.0036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3926 -1.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5945 -1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6546 -4.5122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2777 -2.9217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8023 -1.3314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0649 -2.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3433 -0.8070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3270 -2.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3270 -3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4835 -4.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6401 -3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6400 -2.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7970 -2.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9540 -2.9218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1112 -2.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5232 -2.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2934 -2.0599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0295 -1.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4834 -5.3570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7964 -4.3829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7970 -1.4618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 -3.9630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4834 -2.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6400 -1.9485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7964 -5.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1394 -5.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5721 -5.5712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1722 -3.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1723 -4.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3288 -5.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4852 -4.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4852 -3.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 -3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7992 -3.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9562 -3.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3684 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1386 -3.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8747 -2.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6416 -5.4057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6422 -2.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3286 -3.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4852 -2.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6416 -6.2611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9846 -6.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1111 -1.4845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9212 -4.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9705 -4.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4952 -4.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5836 -2.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3965 -5.6800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2982 -5.5289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5059 -4.0177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9562 -2.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 -4.7030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9705 -1.8658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9213 -3.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9705 -3.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3965 -4.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5113 1.5814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6638 1.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8217 1.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9743 1.1154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9659 0.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8080 -0.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3434 2.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6581 0.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8275 2.5694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1322 1.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1183 -0.3434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2776 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4288 -0.3295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2856 1.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3921 0.6211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6654 1.6343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6822 3.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2759 3.1171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4828 4.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2705 2.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4002 1.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5356 2.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5439 3.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4140 3.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4223 4.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3286 -6.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4173 -6.5939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6673 1.6413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6674 0.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8239 0.1801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9803 0.6672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9803 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1373 2.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2943 1.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4513 2.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8635 2.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6337 2.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3697 2.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1367 0.1800 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1373 3.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 2.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9803 2.6145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1367 -0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4797 -1.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4513 3.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1811 0.8827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8238 -0.7941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9124 -1.0082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0902 -1.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0902 -0.9823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2241 -2.4823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6001 -10.8483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5474 -10.2406 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 60 61 2 0 0 0 60 62 1 0 0 0 52 60 1 1 0 0 53 52 1 0 0 0 53 54 1 0 0 0 52 67 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 56 67 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 54 63 1 6 0 0 55 64 1 1 0 0 57 65 1 1 0 0 58 66 1 6 0 0 56 68 1 1 0 0 64 69 1 0 0 0 69 70 1 0 0 0 69 71 2 0 0 0 52 48 1 6 0 0 80 81 2 0 0 0 80 82 1 0 0 0 72 80 1 1 0 0 73 72 1 0 0 0 73 74 1 0 0 0 72 85 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 76 85 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 75 83 1 1 0 0 77 84 1 1 0 0 76 86 1 1 0 0 83 87 1 0 0 0 87 88 1 0 0 0 59 89 1 0 0 0 72 66 1 6 0 0 91 90 1 0 0 0 92 91 1 0 0 0 90 94 1 6 0 0 91 95 1 1 0 0 41 96 1 1 0 0 79 97 1 0 0 0 92 96 1 6 0 0 78 98 1 6 0 0 93 99 1 0 0 0 101100 1 0 0 0 92101 1 0 0 0 101 93 1 1 0 0 102 90 1 0 0 0 102100 1 0 0 0 105111 1 1 0 0 106112 1 1 0 0 107113 1 6 0 0 108 49 1 1 0 0 104103 1 1 0 0 105104 1 0 0 0 106105 1 0 0 0 107106 1 0 0 0 108107 1 0 0 0 110108 1 0 0 0 104110 1 0 0 0 109103 1 0 0 0 113114 1 0 0 0 114115 2 0 0 0 114116 1 0 0 0 121127 1 0 0 0 126120 1 0 0 0 120122 1 0 0 0 122123 1 0 0 0 123124 1 0 0 0 124125 1 0 0 0 125126 1 0 0 0 126127 1 1 0 0 122112 1 1 0 0 123117 1 6 0 0 124118 1 1 0 0 125119 1 1 0 0 87129 2 0 0 0 74128 1 6 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 130118 1 6 0 0 102 40 1 1 0 0 97151 1 0 0 0 151152 1 0 0 0 151153 2 0 0 0 154155 1 0 0 0 0 39154 1 0 0 0 0 M END > LMSP0601BL02 > 9-O-acetyl GTb1(d18:1/18:0) > NeuAcalpha2-3Galbeta1-3GalNAcbeta1-4(9-OAc-NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C97H167N5O48 > 2170.08 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > RJRKCWXQTBEUNE-PYNAMTCNSA-N > InChI=1S/C97H167N5O48/c1-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-66(120)102-54(55(114)36-34-32-30-28-26-24-21-19-17-15-13-11-9-2)47-137-89-77(127)76(126)80(64(45-107)140-89)142-91-79(129)87(150-97(94(134)135)40-58(117)69(100-51(5)111)85(148-97)75(125)63(44-106)145-95(92(130)131)38-56(115)68(99-50(4)110)84(146-95)72(122)60(119)48-136-53(7)113)81(65(46-108)141-91)143-88-70(101-52(6)112)82(73(123)61(42-104)138-88)144-90-78(128)86(74(124)62(43-105)139-90)149-96(93(132)133)39-57(116)67(98-49(3)109)83(147-96)71(121)59(118)41-103/h34,36,54-65,67-91,103-108,114-119,121-129H,8-33,35,37-48H2,1-7H3,(H,98,109)(H,99,110)(H,100,111)(H,101,112)(H,102,120)(H,130,131)(H,132,133)(H,134,135)/b36-34+/t54-,55+,56-,57-,58-,59+,60+,61+,62+,63+,64+,65+,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-,95+,96-,97-/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)COC(=O)C)[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 > - > - > - > - > - > - > 178333157 > - > - > - > - > - > - > - $$$$