Mrv0541 02241203552D 106108 0 0 1 0 999 V2000 12.0949 -14.3876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0949 -15.2126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3805 -13.9751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3805 -15.6251 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6660 -14.3876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6660 -15.2126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9515 -15.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3805 -16.4501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8094 -15.6251 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8094 -13.9751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5239 -14.3876 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 13.9364 -13.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2384 -14.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1114 -15.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9529 -14.3876 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 15.3654 -15.1021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5404 -13.6731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6673 -13.9751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9515 -13.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9515 -13.1501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8094 -16.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5239 -16.8626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0949 -16.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2371 -16.0376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2371 -16.8626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5226 -15.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5226 -17.2751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8081 -16.0376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8081 -16.8626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0936 -17.2751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5226 -18.1001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9515 -17.2751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0936 -15.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0936 -14.8001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9515 -18.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2371 -18.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6660 -18.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8280 -15.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8164 -14.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0961 -13.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5249 -13.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3876 -14.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6856 -15.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6740 -14.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9537 -13.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3826 -13.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2452 -14.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5432 -15.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5316 -14.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8114 -13.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2402 -13.8541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1028 -14.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4008 -15.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3892 -14.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6690 -13.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0978 -13.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9604 -14.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2584 -15.0209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2468 -14.1960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5266 -13.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9554 -13.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8180 -14.2161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1160 -14.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1044 -14.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3842 -13.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8130 -13.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6756 -14.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9737 -14.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9621 -14.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2418 -13.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.6706 -13.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.5333 -14.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8313 -14.8999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8197 -14.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.0994 -13.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5282 -13.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3909 -14.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6889 -14.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.6773 -14.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.9571 -13.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.3859 -13.6121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.2485 -14.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5465 -14.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.5349 -13.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.8147 -13.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.2435 -13.5718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.1061 -14.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.4041 -14.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 46.3925 -13.9540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 45.6723 -13.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 47.1011 -13.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44.9637 -13.9741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3791 -16.0376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3499 -17.7394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3673 -18.5642 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6268 -17.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6617 -18.9917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9212 -17.7696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9387 -18.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1982 -17.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2331 -19.0219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6791 -19.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0904 -18.9615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2505 -19.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5449 -20.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9735 -20.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 1 0 0 0 0 6 7 1 6 0 0 0 4 8 1 1 0 0 0 2 9 1 6 0 0 0 1 10 1 6 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 10 11 1 0 0 0 0 16 15 2 0 0 0 0 17 15 1 0 0 0 0 18 15 1 0 0 0 0 13 15 1 0 0 0 0 5 19 1 1 0 0 0 20 19 1 0 0 0 0 21 9 1 0 0 0 0 22 21 1 0 0 0 0 23 21 2 0 0 0 0 25 24 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 29 28 1 0 0 0 0 29 30 1 6 0 0 0 27 31 1 1 0 0 0 25 32 1 1 0 0 0 24 7 1 1 0 0 0 28 33 1 1 0 0 0 34 33 2 0 0 0 0 35 32 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 39 38 1 0 0 0 0 40 39 2 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 18 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 2 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 41 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 2 0 0 0 0 51 49 1 0 0 0 0 52 50 1 0 0 0 0 46 52 1 0 0 0 0 54 53 1 0 0 0 0 55 54 2 0 0 0 0 56 54 1 0 0 0 0 57 55 1 0 0 0 0 51 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 2 0 0 0 0 61 59 1 0 0 0 0 62 60 1 0 0 0 0 56 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 2 0 0 0 0 66 64 1 0 0 0 0 67 65 1 0 0 0 0 61 67 1 0 0 0 0 69 68 1 0 0 0 0 70 69 2 0 0 0 0 71 69 1 0 0 0 0 72 70 1 0 0 0 0 66 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 2 0 0 0 0 76 74 1 0 0 0 0 77 75 1 0 0 0 0 71 77 1 0 0 0 0 79 78 1 0 0 0 0 80 79 2 0 0 0 0 81 79 1 0 0 0 0 82 80 1 0 0 0 0 76 82 1 0 0 0 0 84 83 1 0 0 0 0 85 84 2 0 0 0 0 86 84 1 0 0 0 0 87 85 1 0 0 0 0 81 87 1 0 0 0 0 89 88 1 0 0 0 0 90 89 2 0 0 0 0 91 89 1 0 0 0 0 92 90 1 0 0 0 0 86 92 1 0 0 0 0 93 33 1 0 0 0 0 95 94 1 0 0 0 0 96 94 1 0 0 0 0 97 95 1 0 0 0 0 98 96 1 0 0 0 0 99 97 1 0 0 0 0 99 98 1 0 0 0 0 94 30 1 6 0 0 0 98100 1 1 0 0 0 101 99 1 0 0 0 0 97102 1 1 0 0 0 95103 1 6 0 0 0 104101 1 0 0 0 0 105104 1 0 0 0 0 106104 2 0 0 0 0 M END > CHEM040771 > chemdb > OC[C@H]1O[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](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O[C@H]2O[C@H](C)C(NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1NC(=O)C > InChI=1S/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(93,94)104-106(95,96)103-78-68(82-64(16)86)70(88)73(65(49-83)99-78)100-77-67(81-63(15)85)71(89)74(75(102-77)76(91)92)101-79-72(90)69(87)66(61(13)98-79)80-62(14)84/h27,29,31,33,35,37,39,41,43,45,47,61,65-75,77-79,83,87-90H,17-26,28,30,32,34,36,38,40,42,44,46,48-49H2,1-16H3,(H,80,84)(H,81,85)(H,82,86)(H,91,92)(H,93,94)(H,95,96)/b51-29+,52-31+,53-33+,54-35+,55-37+,56-39+,57-41+,58-43+,59-45+,60-47+/t61-,65-,66?,67+,68-,69+,70-,71-,72-,73-,74+,75+,77-,78-,79-/m1/s1 > PSONHUYFSWYIME-JNYPHZTQSA-N > C79H129N3O22P2 > 1534.824 > 1533.854295851 > 19 > 172.90132789523102 > 0 > 11 > 0 > 0 > (2S,3S,4R,5S,6R)-5-acetamido-3-{[(2R,3R,4S,6R)-5-acetamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-6-{[hydroxy({[hydroxy({[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-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}-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxyoxane-2-carboxylic acid > 6.83 > 11.81985346633333 > -5.72 > 1 > 3 > -3 > 2.9734413993441087 > 1.724039020353275 > -3.9332657109249825 > 374.19 > 415.7498999999999 > 46 > 0 > 2.95e-03 g/l > (2S,3S,4R,5S,6R)-5-acetamido-3-{[(2R,3R,4S,6R)-5-acetamido-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4-hydroxy-6-{[hydroxy({hydroxy[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-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}oxy)phosphoryl]oxy}-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxyoxane-2-carboxylic acid > 0 > Undecaprenyl N-acetyl-glucosaminyl-N-acetyl-mannosaminuronate-4-acetamido-4,6-dideoxy-D-galactose pyrophosphate $$$$