Marvin 05071014552D 37 39 0 0 1 0 999 V2000 16.6543 -4.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6543 -5.0246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9398 -3.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -5.4371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2253 -4.1996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2253 -5.0246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3688 -3.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 -5.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 -6.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -5.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -3.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7964 -4.1996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 -6.6746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2253 -7.4996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5108 -6.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 -7.9121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7963 -6.6746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7963 -7.4996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9398 -7.9121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5107 -8.7371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -7.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 -6.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -6.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -8.3246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3674 -9.1496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6528 -7.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6528 -9.5621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9384 -8.3246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9384 -9.1496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0818 -9.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6528 -10.3872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -9.5621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 -7.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -8.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -7.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 -6.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3687 -7.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 0 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 1 0 0 0 5 11 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 13 9 1 1 0 0 0 14 19 1 6 0 0 0 16 20 1 1 0 0 0 18 21 1 6 0 0 0 17 22 1 1 0 0 0 23 22 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 29 1 0 0 0 0 24 21 1 1 0 0 0 25 30 1 6 0 0 0 27 31 1 1 0 0 0 29 32 1 1 0 0 0 28 33 1 1 0 0 0 34 33 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 19 35 1 0 0 0 0 M END > CHEBI:59387 > beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-D-Galp > An amino trisaccharide consisting of an N-acetyl-D-glucosamine flanked by two D-galactose residues in a linear sequence. > 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_b4-c1; Paragloboside tbeta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-D-galactopyranoserisaccharide; Galbeta1-4GlcNAcbeta1-3Gal; beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-D-galactose; beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-D-Gal > beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-D-galactopyranose > C20H35NO16 > 545.48900 > 545.19558 > 0 > CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1O[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@@H]1O > InChI=1S/C20H35NO16/c1-5(25)21-9-12(28)16(36-20-14(30)13(29)10(26)6(2-22)34-20)8(4-24)35-19(9)37-17-11(27)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 > VGVHVNDLCYSGNE-DYAHILLTSA-N > 4620254 > 8678291 $$$$