Marvin 12041216442D 54 57 0 0 1 0 999 V2000 20.1841 -9.8802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1841 -10.7052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4696 -9.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4696 -11.1177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7552 -9.8802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7552 -10.7052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8986 -9.4677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8986 -11.1177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4696 -11.9427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0406 -11.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0406 -9.4677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3262 -9.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8986 -11.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6130 -12.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1841 -12.3552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6131 -7.4052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6131 -8.2302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8986 -6.9927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8986 -8.6427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1842 -7.4052 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1842 -8.2302 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.3276 -6.9926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3276 -8.6427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4697 -8.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4697 -6.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4697 -6.1677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7552 -5.7551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0407 -6.1676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7552 -4.9301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3262 -5.7550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0408 -4.5176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3263 -4.9300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0407 -6.9926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6117 -6.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6118 -4.5175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0408 -3.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3263 -3.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3262 -7.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3261 -8.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6117 -6.9925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4710 -5.7551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.4710 -6.5801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7565 -5.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7565 -6.9926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0421 -5.7551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0421 -6.5801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.1855 -5.3426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1855 -6.9927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7565 -7.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3276 -5.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6131 -5.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.1855 -7.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8999 -8.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4710 -8.2301 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 1 7 1 1 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 8 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 16 22 1 1 0 0 0 17 23 1 6 0 0 0 19 7 1 1 0 0 0 21 24 1 1 0 0 0 20 25 1 1 0 0 0 25 26 1 0 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 26 1 1 0 0 0 28 33 1 6 0 0 0 30 34 1 1 0 0 0 32 35 1 6 0 0 0 31 36 1 1 0 0 0 37 36 1 0 0 0 0 33 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 45 46 1 0 0 0 0 41 47 1 1 0 0 0 42 48 1 6 0 0 0 44 49 1 1 0 0 0 46 22 1 6 0 0 0 45 50 1 1 0 0 0 51 50 1 0 0 0 0 48 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 2 0 0 0 0 M END > CHEBI:71342 > beta-D-GlcpNAc-(1->3)-[beta-D-GlcpNAc-(1->6)]-beta-D-Galp-(1->4)-beta-D-GlcpNAc > A branched amino tetrasaccharide comprising a β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine disaccharide, to the galactosyl residue of which are (1→3)- and (1→6)-linked two N-acetyl-β-D-glucosamine residues. > 3 > WURCS=2.0/2,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-1-1/a4-b1_b3-c1_b6-d1; O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose; N-acetyl-beta-D-glucosaminyl-(1->3)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine; GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta; GlcNAcb1-6(GlcNAcb1-3)Galb1-4GlcNAcb; beta-D-glucopyranose, O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-; beta-D-GlcNAc-(1->3)-[beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc > 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose > C30H51N3O21 > 789.73340 > 789.30151 > 0 > CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O > InChI=1S/C30H51N3O21/c1-8(37)31-15-23(45)25(13(6-36)49-27(15)47)53-30-24(46)26(54-29-17(33-10(3)39)22(44)19(41)12(5-35)51-29)20(42)14(52-30)7-48-28-16(32-9(2)38)21(43)18(40)11(4-34)50-28/h11-30,34-36,40-47H,4-7H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,22-,23-,24-,25-,26+,27-,28-,29+,30+/m1/s1 > NTQYKWMQLCGKKJ-OVCREZTJSA-N > 19443021; 25568069; 31537530 $$$$