Ketcher 05192015162D 1 1.00000 0.00000 0 37 39 0 1 0 999 V2000 14.4259 -9.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4259 -12.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1579 -9.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6938 -12.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6938 -11.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1579 -6.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4258 -8.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4259 -14.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8899 -8.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6938 -15.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9618 -14.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8278 -9.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8899 -6.0720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5598 -6.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0957 -12.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2918 -12.5720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1579 -11.0721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4259 -11.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2919 -10.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5598 -10.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2919 -9.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5598 -9.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1579 -8.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5598 -12.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2919 -7.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5598 -13.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0239 -7.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6938 -14.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2919 -6.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8278 -13.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8278 -12.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6938 -9.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0239 -6.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4258 -6.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9618 -12.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1579 -12.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0239 -12.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 1 22 1 0 0 0 18 2 1 1 0 0 24 2 1 1 0 0 21 3 1 1 0 0 23 3 1 1 0 0 4 24 1 0 0 0 4 31 1 0 0 0 20 5 1 6 0 0 6 29 1 0 0 0 6 33 1 0 0 0 25 7 1 1 0 0 26 8 1 6 0 0 27 9 1 6 0 0 28 10 1 1 0 0 30 11 1 1 0 0 12 32 1 0 0 0 13 33 1 0 0 0 14 34 1 0 0 0 15 35 1 0 0 0 16 36 2 0 0 0 19 17 1 6 0 0 17 36 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 20 22 1 0 0 0 22 32 1 1 0 0 23 25 1 0 0 0 23 27 1 0 0 0 24 26 1 0 0 0 25 29 1 0 0 0 26 28 1 0 0 0 27 33 1 0 0 0 28 30 1 0 0 0 29 34 1 1 0 0 30 31 1 0 0 0 31 35 1 1 0 0 36 37 1 0 0 0 M END > CHEBI:148542 > beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-D-Galp > An amino trisaccharide consisting of β-D-galactopyranose, 2-acetamido-2-deoxy-β-D-glucopyranose and D-galactopyranose residues joined in sequence by (1→3) glycosidic bonds. > 3 > WURCS=2.0/3,3,2/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a3-b1_b3-c1; N-[(2S,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxan-3-yl]acetamide; beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-D-galacto-hexopyranose > Gal(b1-3)GlcNAc(b1-3)Gal; beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-D-galactopyranose > C20H35NO16 > 545.491 > 545.19558 > 0 > O1[C@@H](O[C@H]2[C@@H](O)[C@H](OC(O)[C@@H]2O)CO)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@@H]([C@H](O)[C@H](O)[C@H]3O)CO)[C@H](O)[C@H]1CO > InChI=1S/C20H35NO16/c1-5(25)21-9-16(36-20-14(30)13(29)10(26)6(2-22)35-20)11(27)8(4-24)34-19(9)37-17-12(28)7(3-23)33-18(32)15(17)31/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11-,12+,13+,14-,15-,16-,17+,18?,19+,20+/m1/s1 > CJOPBLPCFAQCNO-APVFGGNASA-N > G00537 $$$$