Ketcher 04072116252D 1 1.00000 0.00000 0 51 54 0 1 0 999 V2000 8.6605 -12.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6605 -13.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 -11.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 -13.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9284 -12.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9284 -13.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5265 -11.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5265 -13.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7944 -14.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0624 -13.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0624 -11.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1964 -12.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3926 -9.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3926 -10.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5265 -8.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5265 -10.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6605 -9.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6605 -10.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 -8.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 -10.7048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7945 -10.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7945 -8.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9285 -9.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 -11.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1246 -12.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3926 -12.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1247 -6.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1247 -7.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 -5.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2586 -7.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3926 -6.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3926 -7.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9907 -5.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9907 -7.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5266 -7.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5266 -5.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6606 -6.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5888 -4.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5888 -5.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 -3.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 -5.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8567 -4.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8567 -5.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4548 -3.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4548 -5.7048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7227 -6.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9907 -3.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1247 -4.2048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4548 -6.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3208 -7.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5888 -7.2048 0.0000 O 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 1 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 6 0 0 14 20 1 6 0 0 16 7 1 1 0 0 18 21 1 6 0 0 17 22 1 1 0 0 23 22 1 0 0 0 24 25 1 0 0 0 24 26 2 0 0 0 20 24 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 31 32 1 0 0 0 27 33 1 1 0 0 28 34 1 6 0 0 30 19 1 1 0 0 32 35 1 1 0 0 31 36 1 1 0 0 37 36 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 1 0 0 39 45 1 6 0 0 41 46 1 1 0 0 43 33 1 6 0 0 42 47 1 1 0 0 48 47 1 0 0 0 49 50 1 0 0 0 49 51 2 0 0 0 45 49 1 0 0 0 M END > CHEBI:157082 > beta-D-Galp-(1->3)-alpha-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc > A linear amino tetrasaccharide consisting of β-D-galactosyl, N-acetyl-α-D-glucosaminyl, β-D-galactosyl and N-acetyl-α-D-glucosamine residues linked glycosidically in a (1→3), (1→3) and (1→4) sequence. > 3 > WURCS=2.0/3,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b3-c1_c3-d1; N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; Galbeta1-3GlcNAcalpha1-3Galbeta1-4GlcNAcbeta; Galb1-3GlcNAca1-3Galb1-4GlcNAcb; Gal(b1-3)GlcNAc(a1-3)Gal(b1-4)b-GlcNAc; beta-D-galactosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine; beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose; beta-D-Gal-(1->3)-alpha-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc > beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose > C28H48N2O21 > 748.685 > 748.27496 > 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](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O > InChI=1S/C28H48N2O21/c1-7(35)29-13-18(40)22(12(6-34)45-25(13)44)49-28-21(43)24(17(39)11(5-33)48-28)51-26-14(30-8(2)36)23(16(38)10(4-32)46-26)50-27-20(42)19(41)15(37)9(3-31)47-27/h9-28,31-34,37-44H,3-6H2,1-2H3,(H,29,35)(H,30,36)/t9-,10-,11-,12-,13-,14-,15+,16-,17+,18-,19+,20-,21-,22-,23-,24+,25-,26-,27+,28+/m1/s1 > MFWVYBSWTNAQKG-PXDPMCGNSA-N > 30583222; 31537530 $$$$