Marvin 10071017042D 125128 0 0 1 0 999 V2000 14.8164 -65.2190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8164 -66.0440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5309 -66.4565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5309 -64.8065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2454 -65.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2454 -66.0440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3921 -66.4508 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3988 -67.2758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1166 -67.6824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8277 -67.2641 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8210 -66.4392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1032 -66.0325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6877 -67.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6743 -66.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9599 -66.4566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1020 -64.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5310 -63.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2455 -63.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5322 -66.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5188 -64.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8076 -64.7892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5255 -65.1958 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 21.2365 -64.7776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5456 -67.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.2499 -66.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4033 -67.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9744 -67.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2566 -67.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8323 -67.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1144 -67.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2611 -67.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5433 -67.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4012 -67.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6901 -67.6127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9722 -67.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1190 -67.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8301 -67.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5478 -67.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6855 -67.2409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6788 -66.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8478 -69.7391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9811 -68.4844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5523 -68.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8411 -68.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4100 -68.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6989 -68.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8390 -68.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1278 -68.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9856 -68.8562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2678 -68.4496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5567 -68.8678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6968 -68.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4146 -68.8446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1257 -68.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2700 -68.9025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2767 -69.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1233 -68.5074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5308 -67.2815 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8163 -67.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8163 -68.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1018 -67.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6729 -67.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 -67.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9584 -67.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 -67.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5294 -67.6935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6715 -67.6931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3860 -67.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1004 -67.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9571 -67.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2425 -67.6930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 -67.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3874 -67.6938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3872 -68.5188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1020 -66.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3874 -66.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3874 -65.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6729 -66.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2440 -66.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 -66.4564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5295 -66.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3860 -66.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1006 -66.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2427 -66.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9571 -66.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6716 -66.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5282 -66.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8136 -66.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0992 -66.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9585 -66.0439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9585 -65.2190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3896 -63.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4687 -62.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1021 -63.9814 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.1192 -63.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7315 -62.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5566 -62.8195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3815 -62.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1517 -62.1034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8014 -62.1269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5769 -61.3936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4019 -61.4054 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5770 -62.1543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1436 -60.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7785 -60.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9827 -62.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0310 -61.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8186 -62.8386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3197 -62.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3183 -63.5328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6296 -59.9923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4548 -59.9932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2797 -60.0049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0498 -59.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6995 -59.3006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4751 -58.5673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3000 -58.5791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4752 -59.3279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0418 -57.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6766 -57.8522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8809 -60.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9292 -58.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7167 -60.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2179 -59.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2164 -60.7065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 6 0 0 0 2 1 1 0 0 0 0 2 75 1 1 0 0 0 3 2 1 0 0 0 0 3 58 1 6 0 0 0 1 4 1 0 0 0 0 4 17 1 1 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 3 6 1 0 0 0 0 6 15 1 1 0 0 0 7 14 1 1 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 6 0 0 0 9 10 1 0 0 0 0 9 57 1 1 0 0 0 11 10 1 0 0 0 0 10 24 1 6 0 0 0 12 11 1 0 0 0 0 11 19 1 6 0 0 0 14 15 1 0 0 0 0 16 94 1 0 0 0 0 17 18 1 0 0 0 0 19 22 1 0 0 0 0 22 20 2 0 0 0 0 22 21 1 0 0 0 0 22 23 1 0 0 0 0 24 28 1 0 0 0 0 28 25 2 0 0 0 0 30 26 1 0 0 0 0 26 39 1 0 0 0 0 39 27 1 0 0 0 0 27 28 1 0 0 0 0 32 29 1 0 0 0 0 29 30 1 0 0 0 0 31 32 1 0 0 0 0 35 31 1 0 0 0 0 36 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 37 36 1 0 0 0 0 37 38 1 0 0 0 0 39 40 1 6 0 0 0 44 41 2 0 0 0 0 46 42 1 0 0 0 0 42 55 1 0 0 0 0 55 43 1 0 0 0 0 43 44 1 0 0 0 0 57 44 1 0 0 0 0 48 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 1 0 0 0 0 51 47 1 0 0 0 0 52 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 53 52 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 1 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 61 59 1 0 0 0 0 73 61 1 0 0 0 0 64 62 1 0 0 0 0 62 73 1 0 0 0 0 66 63 1 0 0 0 0 63 64 1 0 0 0 0 65 66 1 0 0 0 0 69 65 1 0 0 0 0 70 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 71 70 1 0 0 0 0 71 72 1 0 0 0 0 73 74 1 6 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 78 76 1 0 0 0 0 90 78 1 0 0 0 0 81 79 1 0 0 0 0 79 90 1 0 0 0 0 83 80 1 0 0 0 0 80 81 1 0 0 0 0 82 83 1 0 0 0 0 86 82 1 0 0 0 0 87 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 88 87 1 0 0 0 0 88 89 1 0 0 0 0 90 91 1 1 0 0 0 94 92 1 0 0 0 0 94 93 1 0 0 0 0 94 95 2 0 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 97 99 1 0 0 0 0 97 18 1 0 0 0 0 98100 1 0 0 0 0 99101 1 0 0 0 0 100102 1 0 0 0 0 100103 1 1 0 0 0 101104 1 1 0 0 0 102105 1 1 0 0 0 103106 1 0 0 0 0 103107 1 6 0 0 0 106108 1 0 0 0 0 101102 1 0 0 0 0 96109 2 0 0 0 0 96110 1 0 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 112114 1 0 0 0 0 112104 1 0 0 0 0 113115 1 0 0 0 0 114116 1 0 0 0 0 115117 1 0 0 0 0 115118 1 1 0 0 0 116119 1 1 0 0 0 117120 1 1 0 0 0 118121 1 0 0 0 0 118122 1 6 0 0 0 121123 1 0 0 0 0 116117 1 0 0 0 0 111124 2 0 0 0 0 111125 1 0 0 0 0 M END > CHEBI:28526 > (KDO)2-lipid IVA > Lipid IVA glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues. > 3 > CHEBI:4477; CHEBI:23657 > KDO2-lipid IV(A); Di[3-deoxy-D-manno-octulosonyl]-lipid IV(A) > 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)-3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-4-O-phosphono-beta-D-glucopyranosyl-(1->6)-2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-[(3R)-3-hydroxytetradecanamido]-1-O-phosphono-alpha-D-glucopyranose > C84H154N2O37P2 > 1846.06030 > 1844.97057 > 0 > CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO[C@@]2(C[C@@H](O[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3)[C@H](O)CO)C(O)=O)[C@@H](O)[C@H](O2)[C@H](O)CO)C(O)=O)[C@@H](OP(O)(O)=O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC > InChI=1S/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66(97)46-56(90)42-38-34-30-26-22-18-14-10-6-2)78(118-68(99)48-58(92)44-40-36-32-28-24-20-16-12-8-4)76(122-124(107,108)109)64(116-79)54-114-83(81(103)104)50-62(72(101)75(120-83)61(95)52-88)119-84(82(105)106)49-59(93)71(100)74(121-84)60(94)51-87/h55-64,69-80,87-95,100-102H,5-54H2,1-4H3,(H,85,96)(H,86,97)(H,103,104)(H,105,106)(H2,107,108,109)(H2,110,111,112)/t55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,83-,84-/m1/s1 > XAOLJGCZESYRFT-VHSKNIDJSA-N > C06025 > G11160 $$$$