Marvin 10031117142D 51 54 0 0 1 0 999 V2000 9.4782 -7.6439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4816 -8.4680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1920 -7.2302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7644 -7.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7678 -8.8784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1954 -8.8818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1920 -6.4061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0507 -7.6474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7678 -9.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0541 -8.4715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1954 -9.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9057 -5.9957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4747 -5.9992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3369 -7.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0507 -10.1197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3403 -8.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9091 -10.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4816 -10.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9023 -5.1717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6195 -6.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4747 -5.1717 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7644 -6.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6231 -7.6508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3300 -9.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0507 -10.9472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6160 -4.7544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1884 -4.7579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7575 -4.7613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6197 -10.1197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3300 -11.3645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7678 -11.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3264 -4.1475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0438 -5.1751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6197 -10.9472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9060 -9.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3369 -12.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0367 -4.5613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3264 -3.3316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9060 -11.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7538 -4.1510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0331 -5.3889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0435 -2.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7573 -3.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4676 -4.5682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4711 -2.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6118 -2.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8923 -3.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1915 -10.1184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4632 -5.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1755 -5.8096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7465 -5.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 1 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 6 0 0 0 7 3 1 1 0 0 0 4 8 1 0 0 0 0 5 9 1 1 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 1 0 0 0 15 9 1 1 0 0 0 10 16 1 6 0 0 0 11 17 1 0 0 0 0 11 18 2 0 0 0 0 12 19 1 0 0 0 0 12 20 1 6 0 0 0 13 21 1 0 0 0 0 13 22 1 1 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 21 28 1 1 0 0 0 24 29 1 0 0 0 0 25 30 1 0 0 0 0 25 31 1 6 0 0 0 32 26 1 6 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 29 35 1 1 0 0 0 30 36 1 1 0 0 0 32 37 1 0 0 0 0 32 38 1 0 0 0 0 34 39 1 1 0 0 0 37 40 1 0 0 0 0 37 41 1 1 0 0 0 38 42 1 0 0 0 0 40 43 1 0 0 0 0 40 44 1 6 0 0 0 43 45 1 0 0 0 0 8 10 1 0 0 0 0 21 27 1 0 0 0 0 30 34 1 0 0 0 0 42 43 1 0 0 0 0 38 46 1 1 0 0 0 1 2 1 0 0 0 0 46 47 1 0 0 0 0 35 48 1 0 0 0 0 50 49 2 0 0 0 0 51 49 1 0 0 0 0 44 49 1 0 0 0 0 M END > CHEBI:62994 > beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc > A tetrasaccharide comprising residues of galactose, N-acetylglucosamine, galactose and N-acetylglucosamine units in a linear sequence, all joined by β-linkages. > 3 > WURCS=2.0/3,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b3-c1_c3-d1; Galbeta1-3GlcNAcbeta1-3Galbeta1-4GlcNAc; beta-Gal1,3-beta-GlcNAc1,3-beta-Gal1,4-GlcNAc; beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-GlcpNAc; beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-D-glucosamine; (Gal)2 (GlcNAc)2 > beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose > C28H48N2O21 > 748.68150 > 748.27496 > 0 > CC(=O)N[C@H]1C(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-SDWKKIPKSA-N > G01494 > 6208947 $$$$