Ketcher 04292012292D 1 1.00000 0.00000 0 26 27 0 1 0 999 V2000 18.0821 -5.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8167 -3.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3502 -5.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8168 -6.2867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0769 -7.2856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3423 -8.2810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6131 -7.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5487 -3.2869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0848 -2.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6210 -4.2767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6828 -6.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5487 -5.2867 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.9508 -4.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8168 -5.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6827 -4.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9508 -3.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2148 -5.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2121 -6.7834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3449 -7.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4803 -6.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6827 -3.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4829 -5.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0848 -3.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6183 -5.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5487 -6.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4147 -6.7866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 17 1 1 1 0 0 2 16 1 0 0 0 2 21 1 0 0 0 3 17 1 0 0 0 3 22 1 0 0 0 14 4 1 1 0 0 18 5 1 6 0 0 19 6 1 1 0 0 20 7 1 1 0 0 21 8 1 1 0 0 9 23 1 0 0 0 10 24 1 0 0 0 11 25 2 0 0 0 15 12 1 6 0 0 12 25 1 0 0 0 13 14 1 0 0 0 13 16 1 0 0 0 14 15 1 0 0 0 15 21 1 0 0 0 16 23 1 1 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 22 1 0 0 0 22 24 1 1 0 0 25 26 1 0 0 0 M END > CHEBI:147984 > beta-D-Galp-(1->4)-beta-D-GalpNAc > An amino disaccharide consisting of β-D-galacopyranose and 2-acetamido-2-deoxy-β-D-galactopyranose residues joined in sequence by a (1→4) glycosidic linkage. > 3 > WURCS=2.0/2,2,1/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2/a4-b1; beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranose > Gal(b1-4)b-GalNAc; 2-acetamido-2-deoxy-4-O-beta-D-galactopyranosyl-beta-D-galactopyranose > N-[(2R,3R,4R,5R,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide > C14H25NO11 > 383.350 > 383.14276 > 0 > O([C@@H]1[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]1CO)O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO > InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12+,13-,14+/m1/s1 > KFEUJDWYNGMDBV-DNXXAFDGSA-N $$$$