LMSL01050001 LIPID_MAPS_STRUCTURE_DATABASE 106107 0 0 0 999 V2000 7.3799 18.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 16.2855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3775 16.2856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3811 18.0163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8784 18.8857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3975 19.5705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3813 18.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 17.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 17.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 18.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 18.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3818 19.7496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 18.1654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4582 20.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1803 20.8051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 22.1244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4345 19.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 19.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7551 19.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5048 20.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2174 21.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 22.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1032 15.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5163 14.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1032 13.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5163 13.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0744 12.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5163 11.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0744 10.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 10.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0404 9.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 8.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0404 7.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 7.2459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0404 6.5063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4488 5.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2336 13.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4666 15.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 15.6684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 14.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6738 14.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 13.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 12.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 11.9269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 11.2163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 10.4669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 9.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0437 8.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8047 14.2131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0825 15.6684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7074 17.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 16.5136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7074 15.7736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1347 15.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7074 14.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1062 13.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6739 12.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1062 12.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6739 11.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1062 10.5771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6739 9.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6113 8.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0724 7.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8379 15.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0606 17.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2184 15.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 14.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2184 13.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 12.9545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1895 12.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 11.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1895 10.7354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6172 9.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5788 8.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1611 7.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5788 7.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3847 15.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 6.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5705 5.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 18.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 18.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 17.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 16.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 15.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 15.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 14.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 13.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 12.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9927 12.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 11.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8332 16.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 18.0216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9824 10.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 9.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8993 9.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4668 8.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5974 21.1453 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.5179 20.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 20.1558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5974 22.0942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 17.7774 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0866 16.9940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5390 18.6060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4120 17.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1611 9.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 12 1 0 0 0 11 5 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 1 0 0 7 1 1 6 0 0 8 2 1 6 0 0 9 3 1 1 0 0 10 4 1 6 0 0 16 22 1 0 0 0 21 15 1 0 0 0 15 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 1 0 0 17 6 1 1 0 0 18 13 1 6 0 0 20 14 1 6 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 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 31 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 25 37 1 0 0 0 0 23 38 2 0 0 0 0 2 23 1 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 47 48 1 0 0 0 0 41 49 1 0 0 0 0 39 50 2 0 0 0 0 39 3 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 53 65 1 0 0 0 0 51 66 2 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 67 78 2 0 0 0 0 65 67 1 0 0 0 0 77 79 1 0 0 0 0 79 80 1 0 0 0 0 13 51 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 84 92 1 0 0 0 0 82 93 2 0 0 0 0 81 82 1 0 0 0 0 91 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 19 81 1 1 0 0 98 99 1 0 0 0 0 98100 1 0 0 0 0 98101 2 0 0 0 0 14 98 1 0 0 0 0 102103 1 0 0 0 0 102104 2 0 0 0 0 102105 1 0 0 0 0 1102 1 0 0 0 0 106 75 1 0 0 0 0 74106 1 0 0 0 0 M END > LMSL01050001 > Bordetella pertussis lipid A > > C78H148N2O24P2 > 1558.99 > Saccharolipids [SL] > Acylaminosugars [SL01] > Pentaacylaminosugars [SL0105] > - > > - > - > - > - > - > - > - > - > - > 42608337 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMSL01050001 $$$$