Ketcher 05212018002D 1 1.00000 0.00000 0 40 42 0 1 0 999 V2000 7.1557 -8.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6199 -8.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8879 -6.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2897 -6.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7539 -9.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8879 -9.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6199 -6.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -8.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3519 -11.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -6.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6198 -12.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1557 -5.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 -4.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8877 -12.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -9.3688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2179 -10.8688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -9.3688 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3520 -9.3689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0219 -7.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8879 -8.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7539 -7.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0219 -6.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2897 -7.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -8.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6199 -9.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4859 -9.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7539 -6.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 -7.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4859 -10.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 -6.8687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6198 -11.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -6.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7538 -10.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1557 -6.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4237 -5.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8878 -11.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 -9.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2180 -9.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5577 -10.8688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0840 -9.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 23 1 1 1 0 0 21 2 1 1 0 0 25 2 1 1 0 0 3 22 1 0 0 0 3 27 1 0 0 0 4 23 1 0 0 0 4 32 1 0 0 0 5 25 1 0 0 0 5 33 1 0 0 0 20 6 1 1 0 0 27 7 1 1 0 0 28 8 1 1 0 0 29 9 1 1 0 0 30 10 1 6 0 0 31 11 1 6 0 0 12 34 1 0 0 0 13 35 1 0 0 0 14 36 1 0 0 0 15 37 2 0 0 0 16 38 2 0 0 0 24 17 1 6 0 0 17 37 1 0 0 0 26 18 1 6 0 0 18 38 1 0 0 0 19 20 1 0 0 0 19 22 1 0 0 0 20 21 1 0 0 0 21 27 1 0 0 0 22 34 1 1 0 0 23 24 1 0 0 0 24 28 1 0 0 0 25 26 1 0 0 0 26 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 31 33 1 0 0 0 32 35 1 1 0 0 33 36 1 1 0 0 37 39 1 0 0 0 38 40 1 0 0 0 M END > CHEBI:148623 > beta-D-GlcpNAc-(1->2)-[beta-D-GlcpNAc-(1->4)]-beta-D-Manp > An amino trisaccharide that is β-D-mannopyranose in which the hydroxy groups at positions 2 and 4 have each been converted into the corresponding 2-acetamido-2-deoxy-β-D-glucopyranosyl derivative. > 3 > WURCS=2.0/2,3,2/[a1122h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-2/a2-b1_a4-c1; N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide; 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranose > GlcNAc(b1-2)[GlcNAc(b1-4)]b-Man; 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-beta-D-mannopyranose > C22H38N2O16 > 586.544 > 586.22213 > 0 > O([C@H]1[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](O[C@@H]1CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO > InChI=1S/C22H38N2O16/c1-6(28)23-11-15(32)13(30)8(3-25)37-21(11)39-18-10(5-27)36-20(35)19(17(18)34)40-22-12(24-7(2)29)16(33)14(31)9(4-26)38-22/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18-,19+,20-,21+,22+/m1/s1 > FRRUBSFARAQWFR-DJDMKQGMSA-N $$$$