Mrv0541 08131209382D 146147 0 0 0 0 999 V2000 17.1473 -41.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -41.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -38.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -36.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -33.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -26.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -23.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -9.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -9.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -39.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -37.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -34.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -32.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -29.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -27.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -24.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -22.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -19.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -17.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -40.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7184 -38.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -37.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2894 -36.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5749 -35.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -33.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -32.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -31.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -30.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -28.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -27.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -26.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -25.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -23.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -22.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -21.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -20.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -18.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -17.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -16.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -6.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -15.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -14.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -12.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -11.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 -40.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 -38.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -10.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8592 -11.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8592 -10.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 -10.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2868 -9.9000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7171 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -10.3125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 -11.1375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -7.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -9.0750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -9.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -6.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -4.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -12.7875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -8.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2881 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8605 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1460 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -14.3270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7309 -12.8980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0329 -12.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -14.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -9.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -11.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -9.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -11.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -13.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -13.6125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -12.3750 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4315 -0.8250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -8.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -3.3000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9572 -11.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5316 -10.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -9.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2902 -9.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1413 -11.9127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1413 -9.5373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8138 -10.4558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7565 -9.2680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -9.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -10.7250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 19 1 0 0 0 0 31 21 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 4 0 0 0 34 22 1 0 0 0 0 35 23 1 4 0 0 0 36 23 1 0 0 0 0 37 24 1 4 0 0 0 38 24 1 0 0 0 0 39 25 1 4 0 0 0 40 25 1 0 0 0 0 41 26 1 4 0 0 0 42 26 1 0 0 0 0 43 27 1 4 0 0 0 44 27 1 0 0 0 0 45 28 1 4 0 0 0 46 28 1 0 0 0 0 47 29 1 4 0 0 0 48 29 1 0 0 0 0 49 30 1 4 0 0 0 50 30 1 0 0 0 0 51 19 1 0 0 0 0 53 52 1 0 0 0 0 55 20 1 0 0 0 0 54 56 1 4 0 0 0 59 1 1 0 0 0 0 59 2 1 0 0 0 0 59 31 2 0 0 0 0 60 3 1 0 0 0 0 60 32 1 0 0 0 0 60 33 2 0 0 0 0 61 4 1 0 0 0 0 61 34 1 0 0 0 0 61 35 2 0 0 0 0 62 5 1 0 0 0 0 62 36 1 0 0 0 0 62 37 2 0 0 0 0 63 6 1 0 0 0 0 63 38 1 0 0 0 0 63 39 2 0 0 0 0 64 7 1 0 0 0 0 64 40 1 0 0 0 0 64 41 2 0 0 0 0 65 8 1 0 0 0 0 65 42 1 0 0 0 0 65 43 2 0 0 0 0 66 9 1 0 0 0 0 66 44 1 0 0 0 0 66 45 2 0 0 0 0 67 10 1 0 0 0 0 67 46 1 0 0 0 0 67 47 2 0 0 0 0 68 11 1 0 0 0 0 68 48 1 0 0 0 0 68 49 2 0 0 0 0 69 12 1 0 0 0 0 69 50 1 0 0 0 0 69 54 2 0 0 0 0 70 13 1 1 0 0 0 71 14 1 1 0 0 0 72 15 1 6 0 0 0 73 16 1 1 0 0 0 74 17 1 4 0 0 0 75 18 1 4 0 0 0 76 51 1 0 0 0 0 77 52 1 0 0 0 0 78 57 1 1 0 0 0 79 58 1 1 0 0 0 80 53 1 0 0 0 0 83 78 1 0 0 0 0 84 81 1 0 0 0 0 84 83 1 0 0 0 0 85 79 1 0 0 0 0 86 82 1 0 0 0 0 86 85 1 0 0 0 0 87 70 1 0 0 0 0 88 71 1 0 0 0 0 89 73 1 0 0 0 0 90 76 1 0 0 0 0 91 77 1 0 0 0 0 92 72 1 0 0 0 0 93 81 1 0 0 0 0 94 82 1 0 0 0 0 95 55 1 0 0 0 0 96 71 1 0 0 0 0 96 89 2 0 0 0 0 97 70 1 0 0 0 0 97 90 2 0 0 0 0 98 72 1 0 0 0 0 98 87 2 0 0 0 0 99 74 2 0 0 0 0 81 99 1 6 0 0 0 100 75 2 0 0 0 0 82100 1 6 0 0 0 77101 1 6 0 0 0 101 88 2 0 0 0 0 76102 1 6 0 0 0 102 91 2 0 0 0 0 103 57 1 0 0 0 0 104 58 1 0 0 0 0 105 74 1 0 0 0 0 106 75 1 0 0 0 0 107 80 2 0 0 0 0 108 80 1 0 0 0 0 83109 1 6 0 0 0 84110 1 1 0 0 0 87111 1 4 0 0 0 88112 1 4 0 0 0 89113 1 4 0 0 0 90114 1 4 0 0 0 91115 1 4 0 0 0 116 92 2 0 0 0 0 117 92 1 0 0 0 0 122 56 1 0 0 0 0 123 73 1 0 0 0 0 86123 1 1 0 0 0 124 78 1 0 0 0 0 124 93 1 0 0 0 0 125 79 1 0 0 0 0 125 94 1 0 0 0 0 85126 1 6 0 0 0 93126 1 6 0 0 0 94127 1 6 0 0 0 129118 1 0 0 0 0 129119 2 0 0 0 0 129122 1 0 0 0 0 129128 1 0 0 0 0 130120 1 0 0 0 0 130121 2 0 0 0 0 130127 1 0 0 0 0 130128 1 0 0 0 0 70131 1 6 0 0 0 71132 1 6 0 0 0 72133 1 1 0 0 0 73134 1 6 0 0 0 76135 1 6 0 0 0 77136 1 6 0 0 0 78137 1 6 0 0 0 79138 1 6 0 0 0 81139 1 1 0 0 0 82140 1 1 0 0 0 83141 1 1 0 0 0 84142 1 6 0 0 0 85143 1 1 0 0 0 86144 1 6 0 0 0 93145 1 1 0 0 0 94146 1 1 0 0 0 M END > M2MDB001129 > M2MDB > [H][C@](C)(O[C@@]1([H])[C@]([H])(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])N=C(C)O)[C@@]([H])(CO)O[C@]([H])(OP(O)(=O)OP(O)(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)[C@]1([H])N=C(C)O)C(O)=N[C@@]([H])(C)C(O)=N[C@]([H])(CCC(O)=O)C(O)=N[C@@]([H])(CCCCN)C(O)=N[C@]([H])(C)C(O)=N[C@]([H])(C)C(O)=O > InChI=1S/C94H156N8O26P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)54-56-122-129(118,119)128-130(120,121)127-94-82(100-75(18)106)86(85(79(58-104)125-94)126-93-81(99-74(17)105)84(110)83(109)78(57-103)124-93)123-73(16)89(113)96-71(14)88(112)101-77(52-53-80(107)108)91(115)102-76(51-19-20-55-95)90(114)97-70(13)87(111)98-72(15)92(116)117/h31,33,35,37,39,41,43,45,47,49,54,70-73,76-79,81-86,93-94,103-104,109-110H,19-30,32,34,36,38,40,42,44,46,48,50-53,55-58,95H2,1-18H3,(H,96,113)(H,97,114)(H,98,111)(H,99,105)(H,100,106)(H,101,112)(H,102,115)(H,107,108)(H,116,117)(H,118,119)(H,120,121)/t70-,71+,72-,73-,76+,77-,78-,79-,81-,82-,83-,84-,85-,86-,93-,94-/m1/s1 > MYJUVRULDQURQG-OCYHILAXSA-N > C94H156N8O26P2 > 1876.23 > 1875.060600228 > 31 > 208.60042418633435 > 0 > 16 > 0 > 0 > (4R)-4-{[(1S)-5-amino-1-{[(1R)-1-{[(1R)-1-carboxyethyl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}pentyl]-C-hydroxycarbonimidoyl}-4-{[(2S)-2-{[(2R)-2-{[(2R,3S,4R,5R,6R)-3-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[hydroxy({hydroxy[(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl)oxy]phosphoryl}oxy)phosphoryl]oxy}-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-4-yl]oxy}-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}butanoic acid > 3.42 > 14.533862604067625 > -5.62 > 0 > 2 > -4 > 2.8571726958944734 > 1.7136409347086152 > 10.20552539294725 > 548.8800000000001 > 507.4827999999999 > 63 > 0 > 4.47e-03 g/l > (4R)-4-{[(1S)-5-amino-1-{[(1R)-1-{[(1R)-1-carboxyethyl]-C-hydroxycarbonimidoyl}ethyl]-C-hydroxycarbonimidoyl}pentyl]-C-hydroxycarbonimidoyl}-4-{[(2S)-2-{[(2R)-2-{[(2R,3S,4R,5R,6R)-3-{[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-6-({hydroxy[hydroxy(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl)oxyphosphoryl]oxyphosphoryl}oxy)-5-[(1-hydroxyethylidene)amino]-2-(hydroxymethyl)oxan-4-yl]oxy}-1-hydroxypropylidene]amino}-1-hydroxypropylidene]amino}butanoic acid > 0 > ECMDB20290 > N-Acetylmuramoyl-L-alanyl-D-glutamyl-L-lysyl-D-alanyl-D-alanine-diphosphoundecaprenyl-N-acetylglucosamine $$$$