Mrv0541 06061413182D 54 57 0 0 0 0 999 V2000 27.1374 -4.8863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.7249 -5.6008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 26.7249 -4.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8999 -5.6008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8999 -4.1718 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.4874 -4.8863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 27.1374 -6.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4873 -6.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6624 -4.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4874 -3.4573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5499 -7.0297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.1373 -7.7441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.3748 -7.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.5499 -8.4586 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.7873 -7.7442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 28.3747 -8.4586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.3123 -7.7441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1374 -9.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7872 -9.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6123 -7.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5499 -9.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3748 -9.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.1374 -10.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6754 -7.7147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.9624 -4.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7872 -6.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4373 -4.8863 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.0248 -5.6008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 30.0248 -4.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1997 -5.6008 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 29.1998 -4.1718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.7874 -4.8863 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 31.2623 -4.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4373 -6.3152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7874 -3.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9123 -3.4575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.4998 -4.1719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 32.4997 -2.7430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6748 -4.1719 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 31.6749 -2.7430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 31.2623 -3.4574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 34.5475 -3.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9122 -4.8864 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.2624 -2.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6749 -1.3141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.4997 -5.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9122 -6.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6748 -5.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4373 -3.4573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1998 -2.7429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.2912 -6.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2017 -7.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.9571 -6.2761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9624 -3.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 6 0 0 0 4 8 1 6 0 0 0 6 9 1 1 0 0 0 5 10 1 6 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 16 1 0 0 0 0 11 7 1 6 0 0 0 12 17 1 1 0 0 0 14 18 1 1 0 0 0 16 19 1 6 0 0 0 15 20 1 1 0 0 0 22 21 2 0 0 0 0 23 21 1 0 0 0 0 18 21 1 0 0 0 0 17 24 1 0 0 0 0 1 25 1 6 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 27 33 1 1 0 0 0 28 34 1 6 0 0 0 30 26 1 1 0 0 0 32 25 1 1 0 0 0 31 35 1 1 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 41 1 0 0 0 0 36 42 1 1 0 0 0 37 43 1 6 0 0 0 39 33 1 1 0 0 0 40 44 1 1 0 0 0 44 45 1 0 0 0 0 47 46 1 0 0 0 0 48 46 2 0 0 0 0 43 46 1 0 0 0 0 41 49 1 1 0 0 0 35 50 1 0 0 0 0 34 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 35 54 2 0 0 0 0 M STY 1 1 SRU M SCN 1 1 HT M SAL 1 15 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 M SAL 1 15 16 17 18 19 20 21 22 23 25 26 27 28 29 30 31 M SAL 1 15 32 33 34 35 36 37 38 39 40 41 43 44 45 46 47 M SAL 1 7 48 49 50 51 52 53 54 M SDI 1 4 33.5856 -2.9625 33.5856 -3.9525 M SDI 1 4 25.2210 -8.2270 25.2320 -7.2370 M SBL 1 2 25 44 M SMT 1 n M END > CHEBI:78719 > S. flexneri serotype 6 O-polysaccharide (O factor 9-positive) > A polysaccharide derivative comprised of a [2)-α-L-RhapIII-(1→2)-α-L-RhapII-(1→3)-β-D-GalpA-(1→3)-β-D-GalpNAc-(1→] tetrasaccharide repeat modified by the addition of an acetyl group to either O-3 or O-4 of many of the RhaIII residues (60% to O-3; 30% to O-4). The structure provided is representative of that in Shigella flexneri serotype 6 and shows the most common repeating unit. > 3 > [2)-alpha-L-Rha(III)p3/4Ac-(1->2)-alpha-L-Rha(II)p-(1->4)-beta-D-GalpA-(1->3)-beta-D-GalpNAc-(1->]n; [2)-alpha-L-Rha(III)3/4Ac-(1->2)-alpha-L-Rha(II)-(1->4)-beta-D-GalA-(1->3)-beta-D-GalNAc-(1->]n > (C30H45NO21)nH2O > 0 > 22724405; 24671799; 381001 $$$$