Ketcher 07242012562D 1 1.00000 0.00000 0 29 30 0 1 0 999 V2000 13.5403 -9.3746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 -9.3768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2501 -7.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2825 -10.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 -12.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0690 -11.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9816 -7.3378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5079 -6.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0690 -8.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6665 -12.8758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1538 -10.8460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5322 -11.3762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0032 -9.3371 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4006 -8.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6665 -10.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2718 -9.3559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6665 -9.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 -11.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3898 -7.8656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1321 -8.8466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9349 -10.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9349 -9.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1213 -7.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5187 -7.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0690 -9.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5322 -12.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0140 -10.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3980 -12.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8852 -10.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 17 1 1 1 0 0 2 17 1 0 0 0 2 22 1 0 0 0 3 19 1 0 0 0 3 23 1 0 0 0 16 4 1 1 0 0 18 5 1 1 0 0 21 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 20 13 1 6 0 0 13 27 1 0 0 0 14 16 1 0 0 0 14 19 1 0 0 0 15 17 1 0 0 0 15 18 1 0 0 0 16 20 1 0 0 0 18 21 1 0 0 0 19 24 1 1 0 0 20 23 1 0 0 0 21 22 1 0 0 0 22 25 1 1 0 0 26 28 1 0 0 0 27 29 1 0 0 0 M END > CHEBI:153088 > beta-D-GalpNAc-(1->4)-D-GalpNAc > An amino disaccharide consisting of a 2-acetamido-2-deoxy-β-D-galactopyranose residue and a 2-acetamido-2-deoxy-D-galactopyranose residue joined in sequence by a (1→4) glycosidic bond. > 3 > WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2/a4-b1; N-[(3R,4R,5R,6R)-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; 2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-galacto-hexopyranose > GalNAc(b1-4)GalNAc; 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-galactopyranosyl)-2-deoxy-D-galactopyranose > C16H28N2O11 > 424.403 > 424.16931 > 0 > O([C@@H]1[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]1CO)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)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/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 > CDOJPCSDOXYJJF-FBDLHECSSA-N > G08581 $$$$