Ketcher 04192017232D 1 1.00000 0.00000 0 36 38 0 1 0 999 V2000 10.8713 -8.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4694 -9.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7373 -6.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6035 -11.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0053 -4.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7374 -10.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0053 -7.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2015 -10.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2732 -6.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2015 -12.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7373 -4.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4695 -13.9502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0053 -10.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4072 -5.4504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3355 -9.4502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4694 -7.9502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 -9.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6034 -8.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7374 -9.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7374 -7.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8713 -9.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8713 -6.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4695 -10.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0053 -6.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3355 -11.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 -6.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3355 -12.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8713 -5.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4695 -12.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1393 -5.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6035 -12.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0053 -9.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2731 -4.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7374 -12.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3355 -8.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2015 -7.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 1 21 1 0 0 0 17 2 1 1 0 0 23 2 1 1 0 0 20 3 1 1 0 0 22 3 1 6 0 0 4 23 1 0 0 0 4 31 1 0 0 0 5 28 1 0 0 0 5 30 1 0 0 0 19 6 1 6 0 0 24 7 1 1 0 0 25 8 1 1 0 0 26 9 1 1 0 0 27 10 1 6 0 0 11 28 1 0 0 0 29 12 1 6 0 0 13 32 1 0 0 0 14 33 1 0 0 0 15 35 2 0 0 0 18 16 1 6 0 0 16 35 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 21 32 1 1 0 0 22 24 1 0 0 0 22 28 1 0 0 0 23 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 30 1 0 0 0 27 29 1 0 0 0 29 31 1 0 0 0 30 33 1 1 0 0 31 34 1 6 0 0 35 36 1 0 0 0 M END > CHEBI:146731 > alpha-L-Fucp-(1->3)-beta-D-GlcpNAc-(1->2)-D-Galp > An amino trisaccharide consisting of α-L-fucopyranosyl, 2-acetamido-2-deoxy-β-D-glucopyranosyl and D-galactopyanosyl residues joined together in sequence by (1→3) and (1→2) glycosidic linkages. > 3 > WURCS=2.0/3,3,2/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3/a2-b1_b3-c1; N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(3R,4S,5R,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide; 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-D-galacto-hexopyranose > Fuc(a1-3)GlcNAc(b1-2)Gal; alpha-L-fucopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-D-galactopyranose; 6-deoxy-alpha-L-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-D-galactopyranose > C20H35NO15 > 529.492 > 529.20067 > 0 > O1[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](OC2O)CO)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@H](O)[C@H]1CO > InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)20(32-5)35-16-9(21-6(2)24)19(34-8(4-23)12(16)27)36-17-14(29)11(26)7(3-22)33-18(17)31/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18?,19-,20-/m0/s1 > XGVLASATRUQFEI-GJGMMKECSA-N > G08865 $$$$