Ketcher 04302016502D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 6.5666 -7.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 -7.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -4.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 -6.4515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 -10.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1025 -9.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2986 -4.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -4.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 -7.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7005 -10.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4326 -7.9514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -9.4514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2986 -6.4515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -6.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7005 -8.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4326 -5.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7005 -7.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7005 -5.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 -9.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -8.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7005 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9685 -7.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4326 -4.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 -4.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1025 -7.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5666 -10.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2985 -7.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4326 -10.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1646 -7.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 17 1 1 6 0 0 2 17 1 0 0 0 2 22 1 0 0 0 3 21 1 0 0 0 3 23 1 0 0 0 18 4 1 6 0 0 19 5 1 1 0 0 20 6 1 1 0 0 7 23 1 0 0 0 8 24 1 0 0 0 9 25 1 0 0 0 10 26 2 0 0 0 11 27 2 0 0 0 15 12 1 6 0 0 12 26 1 0 0 0 16 13 1 6 0 0 13 27 1 0 0 0 14 16 1 0 0 0 14 18 1 0 0 0 15 17 1 0 0 0 15 19 1 0 0 0 16 23 1 0 0 0 18 21 1 0 0 0 19 20 1 0 0 0 20 22 1 0 0 0 21 24 1 1 0 0 22 25 1 1 0 0 26 28 1 0 0 0 27 29 1 0 0 0 M END > CHEBI:148388 > alpha-D-GalpNAc-(1->3)-D-GlcpNAc > An amino disaccharide consisting of 2-acetamido-2-deoxy-α-D-glucopyranose and 2-acetamido-2-deoxy-D-glucopyranose residues joined in sequence by a (1→3) glycosidic bond. > 3 > WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1a_1-5_2*NCC/3=O]/1-2/a3-b1; N-[(2S,3R,4R,5R,6R)-2-[(3R,4R,5S,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; 2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranose > GalNAc(a1-3)GlcNAc; 2-acetamido-3-O-(2-acetamido-2-deoxy-alpha-D-galactopyranosyl)-2-deoxy-D-glucopyranose > C16H28N2O11 > 424.403 > 424.16931 > 0 > O([C@@H]1[C@@H](NC(=O)C)C(O[C@@H]([C@H]1O)CO)O)[C@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2NC(=O)C)CO > InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)11(23)7(3-19)28-16(9)29-14-10(18-6(2)22)15(26)27-8(4-20)12(14)24/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11+,12-,13-,14-,15?,16-/m1/s1 > FJGXDMQHNYEUHI-BHKGJTDZSA-N > G03576 $$$$