LMSP0601AO07 LIPID_MAPS_STRUCTURE_DATABASE 147152 0 0 0 999 V2000 30.2929 9.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3382 10.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3832 9.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8449 8.8677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.7409 8.8677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.2480 10.3736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7408 8.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7408 7.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.7861 8.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8579 11.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8060 11.2934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.8243 8.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8619 8.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8995 8.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9371 8.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9749 8.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4204 10.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4580 9.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4957 10.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5333 9.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5708 10.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6087 9.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6462 10.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6839 9.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9749 7.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6839 8.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6294 8.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5750 8.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5204 8.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4659 8.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4115 8.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9297 6.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8844 7.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8392 6.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7939 7.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7487 6.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7034 7.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6582 6.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6129 6.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5676 7.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5225 6.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4772 7.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4319 6.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3866 7.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3415 6.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2962 7.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2509 6.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2796 14.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6490 14.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7076 14.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0187 15.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2709 16.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2121 16.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4189 17.0760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4555 13.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0441 15.1149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5818 16.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9012 15.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1865 17.2827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0696 15.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0696 14.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2049 13.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3403 14.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3402 15.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4761 15.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6120 15.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7480 15.6136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2706 15.7322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0601 15.9984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7646 16.2053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2048 12.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4755 13.6171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4761 16.6114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8115 14.0475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2048 15.6141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3402 16.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4755 12.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8020 12.3745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2706 12.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7855 14.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7856 13.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9209 12.5688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0562 13.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0562 14.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1921 14.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3279 14.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4638 14.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9866 14.6839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7761 14.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4805 15.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9208 11.5702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1914 12.5687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1921 15.5632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9208 14.5658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0562 15.0642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1914 11.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5180 11.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9866 11.3507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7479 16.5882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8290 13.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8546 13.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3674 13.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4579 15.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3162 12.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1654 12.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3533 13.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5364 12.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5366 11.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6718 11.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8071 11.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8071 12.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9431 13.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0788 12.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2148 13.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7375 13.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5270 13.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2314 14.0203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6718 10.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9423 11.4320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9430 14.4264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0789 11.9321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6718 13.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8071 13.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9424 10.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2689 10.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7376 10.2139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4638 15.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2148 14.4286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4976 13.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8546 16.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.8291 14.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8546 14.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3163 13.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3336 19.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4649 19.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6017 19.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7330 19.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7245 18.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5876 17.7435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1615 20.7164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4592 18.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6076 20.7437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8698 19.7597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8557 17.7579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9938 18.2650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1237 17.7721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0020 19.2649 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 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 0 0 0 51 50 1 0 0 0 52 51 1 0 0 0 52 53 1 0 0 0 53 54 1 1 0 0 53 58 1 0 0 0 49 58 1 0 0 0 50 55 1 6 0 0 51 56 1 1 0 0 52 57 1 1 0 0 54 59 1 0 0 0 68 69 2 0 0 0 68 70 1 0 0 0 60 68 1 1 0 0 61 60 1 0 0 0 61 62 1 0 0 0 60 75 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 64 75 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 62 71 1 6 0 0 63 72 1 1 0 0 65 73 1 1 0 0 66 74 1 6 0 0 64 76 1 1 0 0 72 77 1 0 0 0 77 78 1 0 0 0 77 79 2 0 0 0 60 56 1 6 0 0 88 89 2 0 0 0 88 90 1 0 0 0 80 88 1 1 0 0 81 80 1 0 0 0 81 82 1 0 0 0 80 94 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 84 94 1 0 0 0 85 86 1 0 0 0 86 87 1 0 0 0 82 91 1 6 0 0 83 92 1 1 0 0 85 93 1 1 0 0 84 95 1 1 0 0 92 96 1 0 0 0 96 97 1 0 0 0 96 98 2 0 0 0 67 99 1 0 0 0 80 74 1 6 0 0 101100 1 0 0 0 102101 1 0 0 0 100104 1 6 0 0 101105 1 1 0 0 49106 1 1 0 0 115116 2 0 0 0 115117 1 0 0 0 107115 1 1 0 0 108107 1 0 0 0 108109 1 0 0 0 107122 1 0 0 0 109110 1 0 0 0 110111 1 0 0 0 111112 1 0 0 0 111122 1 0 0 0 112113 1 0 0 0 113114 1 0 0 0 109118 1 6 0 0 110119 1 1 0 0 112120 1 1 0 0 113121 1 6 0 0 111123 1 1 0 0 119124 1 0 0 0 124125 1 0 0 0 124126 2 0 0 0 87127 1 0 0 0 114128 1 0 0 0 102106 1 6 0 0 107129 1 6 0 0 86129 1 6 0 0 103130 1 0 0 0 132131 1 0 0 0 102132 1 0 0 0 132103 1 1 0 0 133100 1 0 0 0 133131 1 0 0 0 136142 1 1 0 0 137143 1 1 0 0 138144 1 6 0 0 139 57 1 1 0 0 135134 1 1 0 0 136135 1 0 0 0 137136 1 0 0 0 138137 1 0 0 0 139138 1 0 0 0 141139 1 0 0 0 135141 1 0 0 0 140134 1 0 0 0 144145 1 0 0 0 145146 2 0 0 0 145147 1 0 0 0 133 48 1 1 0 0 M END > LMSP0601AO07 > GT2(d18:1/24:1(15Z)) > GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C95H165N5O42 > 2048.09 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > JAFUMHKHYKSZGQ-QOJDMBCLSA-N > InChI=1S/C95H165N5O42/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-68(116)100-57(58(111)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)52-131-88-79(123)78(122)81(66(50-105)133-88)135-89-80(124)86(82(67(51-106)134-89)136-87-72(99-56(6)110)77(121)74(118)63(47-102)132-87)142-95(92(129)130)45-61(114)71(98-55(5)109)85(141-95)76(120)65(49-104)138-94(91(127)128)44-60(113)70(97-54(4)108)84(140-94)75(119)64(48-103)137-93(90(125)126)43-59(112)69(96-53(3)107)83(139-93)73(117)62(115)46-101/h21-22,39,41,57-67,69-89,101-106,111-115,117-124H,7-20,23-38,40,42-52H2,1-6H3,(H,96,107)(H,97,108)(H,98,109)(H,99,110)(H,100,116)(H,125,126)(H,127,128)(H,129,130)/b22-21-,41-39+/t57-,58+,59-,60-,61-,62+,63+,64+,65+,66+,67+,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)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[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)CO)[C@H](NC(=O)C)[C@@H](O)C3)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(2)-HexNAc-NeuAc(3)-Cer 42:2;O2 > - > SLM:000487757 > 44262082 > - > - > - > - > - > - > - $$$$