Ketcher 08171519002D 1 1.00000 0.00000 0 51 54 0 1 0 999 V2000 10.1063 -30.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1063 -31.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2402 -30.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2402 -32.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3742 -30.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3742 -31.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9723 -30.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9723 -32.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2401 -33.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5082 -32.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5082 -30.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6421 -30.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8384 -27.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8384 -28.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9723 -27.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9723 -29.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1063 -27.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1063 -28.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7044 -27.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7044 -29.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2403 -29.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2403 -27.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3742 -27.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5705 -24.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5705 -25.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7044 -24.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7044 -26.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8384 -24.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8384 -25.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4365 -24.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4365 -26.3312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9724 -26.3311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9724 -24.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1063 -24.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4365 -27.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3025 -27.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5705 -27.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3026 -21.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3026 -22.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4365 -21.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4365 -23.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5705 -21.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5705 -22.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1686 -21.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1686 -23.3312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7044 -23.3312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7044 -21.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8384 -21.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1686 -24.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0346 -24.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3026 -24.8312 0.0000 C 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 6 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 1 0 0 14 20 1 6 0 0 16 7 1 1 0 0 18 21 1 1 0 0 17 22 1 1 0 0 23 22 1 0 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 29 1 0 0 0 24 30 1 1 0 0 25 31 1 6 0 0 27 19 1 1 0 0 29 32 1 6 0 0 28 33 1 1 0 0 34 33 1 0 0 0 36 35 2 0 0 0 37 35 1 0 0 0 31 35 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 0 0 0 39 45 1 6 0 0 41 30 1 1 0 0 43 46 1 1 0 0 42 47 1 1 0 0 48 47 1 0 0 0 50 49 2 0 0 0 51 49 1 0 0 0 45 49 1 0 0 0 M END > CHEBI:87520 > alpha-D-Galp-(1->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-D-GalpNAc > An amino tetrasaccharide consisting of α-D-galactose, β-D-galactose, N-acetyl-β-D-glucosamine and N-acetyl-β-D-galactosamine residues connected in sequence by (1→3) linkages. > 3 > O-alpha-D-galactopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->3)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-galactopyranose; Gala1-3Galb1-3GlcNAcb1-3GalNAc; alpha-D-galactosyl-(1->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-N-acetyl-D-galactosamine; alpha-D-Gal-(1->3)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-D-GalNAc > alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galactopyranose > C28H48N2O21 > 748.68150 > 748.27496 > 0 > CC(=O)N[C@H]1C(O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[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]3O)[C@H]2O)[C@H]1NC(C)=O > InChI=1S/C28H48N2O21/c1-7(35)29-13-22(16(38)10(4-32)45-25(13)44)49-26-14(30-8(2)36)23(17(39)11(5-33)46-26)50-28-21(43)24(18(40)12(6-34)48-28)51-27-20(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 > KZJRWMGKSMFHCV-ZMTYAFPBSA-N > 25568069; 31537530 $$$$