Mrv0541 06061414142D 57 61 0 0 0 0 999 V2000 22.3733 -54.4410 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6588 -54.0285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0877 -54.0284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6588 -53.2035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0877 -53.2036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3733 -52.7911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0132 -55.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9443 -54.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9444 -52.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3733 -51.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8021 -52.7911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8021 -51.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8356 -58.5312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4231 -59.2457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4231 -57.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5981 -59.2457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5981 -57.8167 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.1856 -58.5312 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6606 -58.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8356 -59.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1855 -59.9601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3607 -58.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1856 -57.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2481 -60.6747 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8355 -61.3890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0731 -60.6747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2481 -62.1035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4856 -61.3891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0730 -62.1035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0105 -61.3890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8356 -62.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4855 -62.8180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3105 -61.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3106 -57.1024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8981 -57.8168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8981 -56.3879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0731 -57.8168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0732 -56.3879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.6607 -57.1024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.1356 -57.1025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3106 -58.5313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8357 -57.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6607 -55.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7857 -55.6736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.3732 -56.3880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.3731 -54.9591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5481 -56.3880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.5482 -54.9591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1356 -55.6735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 27.4208 -55.6736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7856 -57.1025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1357 -54.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5482 -53.5302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3731 -57.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7856 -58.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5481 -57.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3736 -61.3596 0.0000 H 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 1 7 1 6 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 6 0 0 0 5 11 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 13 19 1 1 0 0 0 14 20 1 6 0 0 0 16 21 1 6 0 0 0 18 22 1 1 0 0 0 17 23 1 6 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 24 20 1 6 0 0 0 25 30 1 1 0 0 0 27 31 1 1 0 0 0 29 32 1 6 0 0 0 28 33 1 1 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 39 1 0 0 0 0 34 40 1 1 0 0 0 35 41 1 6 0 0 0 37 19 1 6 0 0 0 39 42 1 1 0 0 0 38 43 1 6 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 49 1 0 0 0 0 44 50 1 1 0 0 0 45 51 1 6 0 0 0 47 40 1 1 0 0 0 49 7 1 6 0 0 0 48 52 1 1 0 0 0 52 53 1 0 0 0 0 55 54 1 0 0 0 0 56 54 2 0 0 0 0 51 54 1 0 0 0 0 30 57 1 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 24 25 26 27 28 29 30 M SAL 1 15 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 M SAL 1 10 46 47 48 49 51 52 53 54 55 56 M SDI 1 4 26.4590 -55.1786 26.4590 -56.1686 M SDI 1 4 18.9192 -61.8719 18.9302 -60.8820 M SBL 1 2 61 52 M SMT 1 n M END > CHEBI:78724 > S. flexneri serotype 1a O-polysaccharide (O factor 9-negative) > A polysaccharide derivative comprised of a [2)-α-L-RhapIII-(1→2)-α-L-RhapII-(1→3)-α-L-RhapI-(1→3)-β-D-GlcpNAc-(1→] tetrasaccharide repeat modified by the (1→4) linkage of an α-D-glucosyl group to the GlcNAc residue. > 3 > [2)-alpha-L-Rhap(III)-(1->2)-alpha-L-Rhap(II)-(1->3)-alpha-L-Rhap(I)-(1->3)-[alpha-D-Glcp-(1->4)]-beta-D-GlcpNAc-(1->]n; [2)-alpha-L-Rha(III)-(1->2)-alpha-L-Rha(II)-(1->3)-alpha-L-Rha(I)-(1->3)-[alpha-D-Glc-(1->4)]-beta-D-GlcNAc-(1->]n > (C32H53NO22)nH2O > 24671799 $$$$