Ketcher 09081511412D 1 1.00000 0.00000 0 61 65 0 1 0 999 V2000 10.2991 -8.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2991 -9.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4331 -7.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4331 -9.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5670 -8.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5670 -9.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1651 -7.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1651 -9.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4330 -10.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7010 -9.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7010 -7.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8350 -8.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0313 -5.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0313 -6.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1652 -4.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1652 -6.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2992 -5.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2992 -6.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8973 -4.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8973 -6.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4332 -6.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4332 -4.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5671 -5.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4954 -3.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4954 -4.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6293 -2.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6293 -4.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7633 -3.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7633 -4.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3614 -2.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3614 -4.6928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6293 -5.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8973 -2.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0313 -3.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8255 -2.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8255 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9595 -2.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9595 -4.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0935 -2.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0935 -3.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6915 -2.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6915 -4.1928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9594 -5.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2275 -4.1927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2275 -2.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3614 -5.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2274 -6.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4954 -6.1928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6915 -5.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5575 -5.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8255 -5.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3973 -7.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3973 -7.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8973 -8.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8973 -8.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3973 -9.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3973 -9.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8973 -6.6928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8973 -8.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8973 -10.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8973 -10.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 1 7 1 6 0 0 2 8 1 6 0 0 4 9 1 1 0 0 6 10 1 1 0 0 5 11 1 1 0 0 12 11 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 18 1 0 0 0 13 19 1 1 0 0 14 20 1 6 0 0 16 7 1 1 0 0 18 21 1 1 0 0 17 22 1 1 0 0 23 22 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 29 1 0 0 0 24 30 1 1 0 0 25 31 1 6 0 0 27 32 1 1 0 0 29 19 1 6 0 0 28 33 1 1 0 0 34 33 1 0 0 0 35 36 1 0 0 0 35 37 1 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 38 40 1 0 0 0 39 40 1 0 0 0 35 41 1 6 0 0 36 42 1 6 0 0 38 43 1 1 0 0 40 44 1 1 0 0 39 45 1 1 0 0 30 45 1 0 0 0 47 46 1 0 0 0 48 46 2 0 0 0 31 46 1 0 0 0 50 49 1 0 0 0 51 49 2 0 0 0 42 49 1 0 0 0 52 53 1 0 0 0 52 54 1 0 0 0 53 55 1 0 0 0 54 56 1 0 0 0 55 57 1 0 0 0 56 57 1 0 0 0 52 20 1 1 0 0 53 58 1 1 0 0 55 59 1 6 0 0 57 60 1 6 0 0 56 61 1 6 0 0 M END > CHEBI:87799 > alpha-L-Fucp-(1->2)-[alpha-D-Galp-(1->3)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->6)-alpha-D-GalpNAc > A branched amino pentasaccharide comprising a linear tetrasaccharide chain of α-D-galactose, β-D-galactose, N-acetyl-β-D-glucosamine and N-acetyl-α-D-galactosamine residues linked sequentially (1→3), (1→4) and (1→6), to the β-D-galactose residue of which is also linked (1→2) an α-L-fucose residue. > 3 > O-6-deoxy-alpha-L-galactopyranosyl-(1->2)-O-[alpha-D-galactopyranosyl-(1->3)]-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-alpha-D-galactopyranose; Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6GalNAcalpha; Gala1-3(Fuca1-2)Galb1-4GlcNAcb1-6GalNAca; Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6GalNAcalpha; alpha-L-fucosyl-(1->2)-[alpha-D-galactosyl-(1->3)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)-N-acetyl-alpha-D-galactosamine; alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->6)-N-acetyl-alpha-D-galactosamine; 6-deoxy-alpha-L-galactopyranosyl-(1->2)-[alpha-D-galactopyranosyl-(1->3)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-2-acetamido-2-deoxy-alpha-D-galactopyranose > alpha-L-fucopyranosyl-(1->2)-[alpha-D-galactopyranosyl-(1->3)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-2-acetamido-2-deoxy-alpha-D-galactopyranose > C34H58N2O25 > 894.824 > 894.33287 > 0 > [C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@@H]2O)CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3CO)OC[C@H]4O[C@@H]([C@@H]([C@H]([C@H]4O)O)NC(C)=O)O)NC(C)=O)O)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O > InChI=1S/C34H58N2O25/c1-8-17(42)23(48)25(50)32(54-8)61-29-28(60-33-26(51)24(49)18(43)11(4-37)56-33)20(45)12(5-38)57-34(29)59-27-13(6-39)58-31(16(22(27)47)36-10(3)41)53-7-14-19(44)21(46)15(30(52)55-14)35-9(2)40/h8,11-34,37-39,42-52H,4-7H2,1-3H3,(H,35,40)(H,36,41)/t8-,11+,12+,13+,14+,15+,16+,17+,18-,19-,20-,21+,22+,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,33+,34-/m0/s1 > UBJOVTLFJTZSDD-WYHNQFLYSA-N > 25568069; 31537530 $$$$