Ketcher 05261512312D 1 1.00000 0.00000 0 61 65 0 1 0 999 V2000 10.0439 -49.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0439 -50.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1778 -49.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1778 -51.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3118 -49.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3118 -50.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9099 -49.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9099 -51.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1778 -52.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4458 -51.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4458 -49.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5797 -49.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7760 -46.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7760 -47.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9099 -46.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9099 -48.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0439 -46.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0439 -47.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 -46.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 -48.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1778 -48.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1778 -46.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3118 -46.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5081 -43.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5081 -44.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 -43.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 -45.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7760 -43.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7760 -44.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3741 -43.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3741 -45.4636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9099 -45.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9099 -43.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0439 -43.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3741 -46.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2401 -46.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5081 -46.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8382 -43.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8382 -44.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9721 -42.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9721 -44.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1061 -43.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1061 -44.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7042 -42.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7042 -44.9636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9721 -45.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2401 -44.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2401 -42.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7042 -45.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5702 -46.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8382 -46.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1420 -49.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1420 -49.3297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 -50.1957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6420 -50.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1420 -51.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1420 -51.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6420 -48.4637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6419 -50.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6420 -51.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6420 -51.9277 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 19 1 1 0 0 29 32 1 6 0 0 28 33 1 1 0 0 34 33 1 0 0 0 36 35 1 0 0 0 37 35 2 0 0 0 31 35 1 0 0 0 38 39 1 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 40 42 1 0 0 0 41 43 1 0 0 0 42 43 1 0 0 0 38 44 1 0 0 0 39 45 1 6 0 0 41 46 1 1 0 0 43 47 1 1 0 0 42 48 1 1 0 0 30 48 1 0 0 0 50 49 1 0 0 0 51 49 2 0 0 0 45 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:85878 > alpha-L-Fucp-(1->2)-[alpha-D-Galp-(1->3)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->6)-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-β-D-galactosamine residues linked sequentially (1→3), (1→3) 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->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)-2-(acetylamino)-2-deoxy-D-galactopyranose; Galalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-6GalNAc; Gala1-3(Fuca1-2)Galb1-3GlcNAcb1-6GalNAc; alpha-L-fucosyl-(1->2)-[alpha-D-galactosyl-(1->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->6)-N-acetyl-D-galactosamine; alpha-D-Galp-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->6)-D-GalpNAc; alpha-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->6)-N-acetyl-D-galactosamine > alpha-L-fucopyranosyl-(1->2)-[alpha-D-galactopyranosyl-(1->3)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-2-acetamido-2-deoxy-D-galactopyranose; 6-deoxy-alpha-L-galactopyranosyl-(1->2)-[alpha-D-galactopyranosyl-(1->3)]-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)-2-acetamido-2-deoxy-D-galactopyranose > C34H58N2O25 > 894.82270 > 894.33287 > 0 > C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](OC[C@H]4OC(O)[C@H](NC(C)=O)[C@@H](O)[C@H]4O)[C@@H]3NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O > 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)57-33)21(46)13(6-39)58-34(29)59-27-16(36-10(3)41)31(56-12(5-38)20(27)45)53-7-14-19(44)22(47)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 > UQXVSBGHSVCLOY-HYBKPPPJSA-N > 25568069; 31537530 $$$$