LMSP0601CM01 LIPID_MAPS_STRUCTURE_DATABASE 150157 0 0 0 999 V2000 27.5063 9.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5628 10.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6190 9.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0518 8.6501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.9609 8.6501 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.4502 10.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9725 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9725 7.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0290 8.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0765 11.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0369 11.0474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0784 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1274 8.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1764 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2253 8.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2744 8.0924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6676 10.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7166 9.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7655 10.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8144 9.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8633 10.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9125 9.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9613 10.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0103 9.5937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2744 6.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0103 8.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9681 8.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9262 8.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8840 8.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8419 8.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7999 8.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2415 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2085 6.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1755 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1425 6.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1096 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0766 6.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0436 6.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0107 6.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4567 13.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8983 13.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9800 13.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3079 14.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5539 15.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4721 15.3740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6738 16.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7339 12.6193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3571 14.2098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8817 15.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1444 14.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4227 16.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4101 14.1268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4950 13.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6971 12.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8143 13.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7294 13.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8472 14.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0499 13.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1679 14.2442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5530 14.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2975 15.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0209 15.1607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7819 11.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0163 12.4507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7624 15.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3626 12.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5272 14.5385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6446 14.9494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0909 11.5984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4675 11.1859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8927 11.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3640 12.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4490 11.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6511 11.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7683 11.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6834 12.5117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8012 12.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0038 12.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1216 12.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5069 13.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2516 13.6017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9749 13.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7359 10.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9703 10.9826 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7163 13.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4812 13.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5986 13.4813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0448 10.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4214 9.7179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8467 9.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0849 15.1912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0005 12.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0499 12.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5746 13.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6630 14.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4758 11.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3777 11.6026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5853 13.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0366 13.7479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9571 11.5993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0499 15.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0005 13.9213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0499 13.9213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4758 13.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5906 18.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7431 18.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9011 18.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0537 18.2469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0454 17.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8874 16.7741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4227 19.6743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7375 17.2588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9069 19.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2116 18.7410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1978 16.7881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3570 17.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5082 16.8020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3650 18.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2104 18.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2217 20.4959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2346 22.2170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2238 20.4748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5940 22.9702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7174 19.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7168 19.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2225 20.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7288 21.3493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7295 21.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2359 22.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2205 20.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2318 22.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2447 23.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2339 22.2297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6041 24.7251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7275 21.3635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7268 21.3705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2326 22.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7389 23.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7396 23.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2459 23.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7345 16.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7972 16.3854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3969 17.8092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5945 19.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3001 18.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0343 17.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0630 17.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3628 18.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6287 19.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9285 19.7386 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 86 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 76 86 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 74 83 1 6 0 0 75 84 1 1 0 0 77 85 1 1 0 0 76 87 1 1 0 0 84 88 1 0 0 0 88 89 1 0 0 0 88 90 2 0 0 0 59 91 1 0 0 0 72 66 1 6 0 0 93 92 1 0 0 0 92 96 1 6 0 0 93 97 1 1 0 0 41 98 1 1 0 0 79 99 1 0 0 0 94 98 1 6 0 0 78100 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 49 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 139133 1 0 0 0 133135 1 0 0 0 135136 1 0 0 0 136137 1 0 0 0 137138 1 0 0 0 138139 1 0 0 0 135120 1 1 0 0 136130 1 6 0 0 137131 1 1 0 0 138132 1 1 0 0 134140 1 0 0 0 139140 1 1 0 0 94 93 1 0 0 0 149144 1 0 0 0 144145 1 0 0 0 145146 1 0 0 0 146147 1 0 0 0 147148 1 0 0 0 148149 1 0 0 0 146141 1 1 0 0 147142 1 6 0 0 148143 1 6 0 0 149150 1 6 0 0 145119 1 6 0 0 104 40 1 1 0 0 M END > LMSP0601CM01 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4(NeuAcalpha2-8NeuAcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C94H164N4O48 > 2117.05 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > CRXASJPMUPOURI-IUYGWXLNSA-N > InChI=1S/C94H164N4O48/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-50(109)49(98-60(113)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)44-131-86-75(125)72(122)77(58(42-104)136-86)138-89-76(126)83(146-94(92(129)130)36-52(111)62(96-47(5)107)81(145-94)69(119)57(41-103)143-93(91(127)128)35-51(110)61(95-46(4)106)80(144-93)65(115)53(112)37-99)78(59(43-105)137-89)139-85-63(97-48(6)108)79(67(117)55(39-101)133-85)140-90-84(142-87-73(123)70(120)64(114)45(3)132-87)82(68(118)56(40-102)135-90)141-88-74(124)71(121)66(116)54(38-100)134-88/h31,33,45,49-59,61-90,99-105,109-112,114-126H,7-30,32,34-44H2,1-6H3,(H,95,106)(H,96,107)(H,97,108)(H,98,113)(H,127,128)(H,129,130)/b33-31+/t45-,49-,50+,51-,52-,53+,54+,55+,56+,57+,58+,59+,61+,62+,63+,64+,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-,90-,93+,94-/m0/s1 > [C@](CO[C@@H]1O[C@H](CO)[C@H]([C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2NC(C)=O)O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@H](O)[C@H](C)O3)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)[C@@H](O)[C@@H](CO)O2)O)CO)[C@H](O[C@]2(O[C@@]([H])([C@H](O)[C@H](O[C@]3(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C3)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C2)C(O)=O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(4)-HexNAc-Fuc-NeuAc(2)-Cer 34:1;O2 > - > - > 44262460 > - > - > - > - > - > - > - $$$$