Marvin 03011115472D 119119 0 0 1 0 999 V2000 23.0256 -18.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3112 -18.2406 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.3112 -17.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5966 -18.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4254 -19.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8822 -18.2406 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 20.8822 -17.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1677 -18.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9966 -19.0705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4533 -18.2406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4533 -17.4156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7387 -17.0031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7387 -18.6531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0243 -17.4156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0243 -18.2406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7387 -19.4781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4533 -19.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4531 -20.7156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1677 -19.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7387 -16.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3099 -17.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3099 -18.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4533 -15.7656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5955 -18.2406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8809 -18.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1664 -18.2404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4520 -18.6529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8808 -19.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5955 -17.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7374 -18.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0230 -18.6529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7376 -17.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3086 -18.2404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5942 -18.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8796 -18.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 -18.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3086 -17.4154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0230 -17.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -17.0029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4507 -18.2404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 -19.4779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7361 -18.6528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0217 -18.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7361 -19.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4505 -19.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4505 -20.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 -21.1279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1649 -21.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8793 -22.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4505 -22.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8795 -20.7154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0217 -17.4153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3073 -18.6527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5929 -18.2402 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8783 -18.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1638 -18.2401 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5929 -17.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8782 -19.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4494 -18.6526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7350 -18.2401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4492 -19.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7350 -17.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0204 -18.6524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4520 -19.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8356 -18.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4856 -18.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0731 -17.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2481 -17.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7922 -18.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3796 -17.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5547 -17.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1421 -18.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0988 -18.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6863 -17.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8613 -17.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4488 -18.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4054 -18.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9929 -17.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1679 -17.9315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7554 -18.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7120 -18.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2995 -17.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4745 -17.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0620 -18.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4856 -17.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7921 -17.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0988 -17.2207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4054 -17.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7120 -17.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.7096 -19.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3319 -20.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5070 -20.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2003 -20.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0945 -19.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7889 -19.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9639 -19.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5514 -20.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8948 -20.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2695 -19.4732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8570 -20.1876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0945 -20.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.7893 -20.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4863 -20.9111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4783 -19.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6533 -19.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2448 -20.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4198 -20.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0113 -20.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1863 -20.9296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7779 -21.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9529 -21.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5443 -22.3677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0033 -19.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5364 -20.9388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7193 -22.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3109 -23.0891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4859 -23.0937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0773 -23.8104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0694 -22.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 1 1 0 0 0 0 2 5 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 4 1 0 0 0 0 6 9 1 0 0 0 0 10 8 1 6 0 0 0 10 11 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 15 14 1 0 0 0 0 13 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 12 20 1 1 0 0 0 14 21 1 6 0 0 0 15 22 1 1 0 0 0 20 23 1 0 0 0 0 22 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 25 28 2 0 0 0 0 24 29 1 1 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 33 31 1 6 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 33 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 36 40 1 0 0 0 0 36 41 2 0 0 0 0 42 40 1 1 0 0 0 42 43 1 0 0 0 0 42 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 48 49 1 0 0 0 0 48 50 2 0 0 0 0 47 51 1 1 0 0 0 43 52 2 0 0 0 0 43 53 1 0 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 54 57 1 0 0 0 0 55 58 2 0 0 0 0 59 56 1 6 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 60 62 2 0 0 0 0 60 63 1 0 0 0 0 27 64 1 1 0 0 0 1 65 1 0 0 0 0 67 66 1 0 0 0 0 68 67 2 0 0 0 0 65 68 1 0 0 0 0 70 69 1 0 0 0 0 71 70 2 0 0 0 0 72 71 1 0 0 0 0 72 66 1 0 0 0 0 74 73 1 0 0 0 0 75 74 2 0 0 0 0 76 75 1 0 0 0 0 76 69 1 0 0 0 0 78 77 1 0 0 0 0 79 78 2 0 0 0 0 80 79 1 0 0 0 0 80 73 1 0 0 0 0 82 81 1 0 0 0 0 83 82 2 0 0 0 0 84 83 1 0 0 0 0 84 77 1 0 0 0 0 67 85 1 0 0 0 0 70 86 1 0 0 0 0 74 87 1 0 0 0 0 78 88 1 0 0 0 0 82 89 1 0 0 0 0 81 90 1 0 0 0 0 90 91 1 0 0 0 0 92 91 2 0 0 0 0 95 93 1 0 0 0 0 96 95 1 0 0 0 0 97 96 1 0 0 0 0 97 98 2 0 0 0 0 94 92 1 0 0 0 0 99 94 1 0 0 0 0 100 99 1 0 0 0 0 100 93 2 0 0 0 0 92101 1 0 0 0 0 93102 1 0 0 0 0 98103 1 0 0 0 0 98104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 2 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 2 0 0 0 0 111112 1 0 0 0 0 107113 1 0 0 0 0 111114 1 0 0 0 0 112115 1 0 0 0 0 115116 1 0 0 0 0 116117 2 0 0 0 0 117118 1 0 0 0 0 117119 1 0 0 0 0 M END > CHEBI:61543 > undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine > An undecaprenyldiphospho-N-acetylmuramoyl peptide in which the peptide element is L-alanyl-D-γ-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine. > 3 > N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine-diphospho-ditrans,polycis-undecaprenol > C87H143N7O23P2 > 1717.04690 > 1715.97106 > 0 > C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC[C@@H](N)C(O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](OP(O)(=O)OP(O)(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)[C@@H]1NC(C)=O)C(O)=O)C(O)=O > InChI=1S/C87H143N7O23P2/c1-56(2)29-18-30-57(3)31-19-32-58(4)33-20-34-59(5)35-21-36-60(6)37-22-38-61(7)39-23-40-62(8)41-24-42-63(9)43-25-44-64(10)45-26-46-65(11)47-27-48-66(12)53-54-113-118(109,110)117-119(111,112)116-87-77(92-71(17)96)79(78(98)75(55-95)115-87)114-70(16)82(101)89-68(14)81(100)94-74(86(107)108)51-52-76(97)93-73(50-28-49-72(88)85(105)106)83(102)90-67(13)80(99)91-69(15)84(103)104/h29,31,33,35,37,39,41,43,45,47,53,67-70,72-75,77-79,87,95,98H,18-28,30,32,34,36,38,40,42,44,46,48-52,54-55,88H2,1-17H3,(H,89,101)(H,90,102)(H,91,99)(H,92,96)(H,93,97)(H,94,100)(H,103,104)(H,105,106)(H,107,108)(H,109,110)(H,111,112)/b57-31+,58-33+,59-35-,60-37-,61-39-,62-41-,63-43-,64-45-,65-47-,66-53-/t67-,68+,69-,70-,72-,73+,74-,75-,77-,78-,79-,87-/m1/s1 > PNWZQTONLRRPST-KLDRQJOASA-N $$$$