Ketcher 08182216432D 1 1.00000 0.00000 0 105113 0 1 0 999 V2000 11.3094 -10.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 -10.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3094 -9.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5778 -10.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 -8.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5778 -9.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1752 -10.8845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4435 -11.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7121 -10.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7121 -8.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4437 -7.8854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5778 -7.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8463 -6.3857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5778 -6.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7121 -5.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4437 -5.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7121 -4.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4437 -4.8861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5778 -4.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8463 -4.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5778 -3.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3094 -4.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3094 -3.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7725 -9.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7725 -10.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9067 -8.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9067 -10.8845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0410 -9.3848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0410 -10.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6382 -8.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6382 -10.8846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9067 -11.8841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1752 -8.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6382 -11.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5040 -12.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7725 -12.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1752 -7.8854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2356 -7.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2356 -8.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3698 -6.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3698 -8.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5041 -7.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5041 -8.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1013 -6.8856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1013 -8.8851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3698 -9.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6382 -6.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9672 -8.3852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9672 -7.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8329 -8.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7785 -12.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7785 -10.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2787 -11.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2787 -10.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 -11.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2790 -10.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7793 -10.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 -12.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7795 -10.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7793 -9.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6864 -9.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9424 -12.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9420 -12.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4415 -13.6158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4408 -13.6185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9400 -14.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9398 -14.4834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4429 -11.8868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4406 -13.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4383 -15.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2786 -13.4929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 -14.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2789 -13.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2783 -15.2244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7787 -14.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2786 -15.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7781 -14.3590 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7780 -16.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7787 -16.0901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -14.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -15.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2776 -15.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2775 -15.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7775 -16.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6382 -5.8861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6382 -4.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1382 -3.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1382 -5.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1386 -5.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6388 -4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1387 -3.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6388 -5.8861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6390 -4.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6388 -2.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6382 -2.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3696 -11.6164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8694 -12.4822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8697 -10.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8692 -10.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3689 -11.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8689 -12.4823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3692 -9.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3688 -11.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3688 -13.3480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3694 -13.3480 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 1 0 0 2 8 1 1 0 0 4 9 1 1 0 0 6 10 1 6 0 0 5 11 1 1 0 0 12 11 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 19 1 0 0 0 14 12 1 6 0 0 15 13 1 1 0 0 17 20 1 1 0 0 19 21 1 6 0 0 18 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 32 1 1 0 0 29 7 1 6 0 0 28 33 1 1 0 0 35 34 2 0 0 0 36 34 1 0 0 0 31 34 1 0 0 0 33 37 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 1 0 0 39 45 1 6 0 0 41 46 1 1 0 0 43 30 1 6 0 0 42 47 1 1 0 0 49 48 2 0 0 0 50 48 1 0 0 0 45 48 1 0 0 0 52 53 1 0 0 0 52 54 1 0 0 0 53 55 1 0 0 0 54 56 1 0 0 0 55 57 1 0 0 0 56 57 1 0 0 0 53 51 1 1 0 0 55 58 1 1 0 0 57 59 1 6 0 0 56 60 1 1 0 0 61 60 1 0 0 0 52 9 1 6 0 0 62 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 66 1 0 0 0 65 67 1 0 0 0 66 67 1 0 0 0 62 8 1 1 0 0 63 68 1 6 0 0 65 69 1 1 0 0 67 70 1 6 0 0 71 72 1 0 0 0 71 73 1 0 0 0 72 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 76 1 0 0 0 71 51 1 1 0 0 72 77 1 6 0 0 74 78 1 1 0 0 76 79 1 6 0 0 75 80 1 1 0 0 81 80 1 0 0 0 82 83 1 0 0 0 82 84 2 0 0 0 77 82 1 0 0 0 47 85 1 0 0 0 87 86 1 0 0 0 88 86 1 0 0 0 88 85 1 1 0 0 88 89 1 0 0 0 89 92 1 1 0 0 89 90 1 0 0 0 90 93 1 6 0 0 90 91 1 0 0 0 91 87 1 0 0 0 91 94 1 6 0 0 87 95 1 6 0 0 97 96 1 0 0 0 98 96 1 0 0 0 98 46 1 1 0 0 98 99 1 0 0 0 99102 1 1 0 0 99100 1 0 0 0 100103 1 6 0 0 100101 1 0 0 0 101 97 1 0 0 0 101104 1 6 0 0 97105 1 6 0 0 M END > CHEBI:192268 > beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[alpha-D-Manp-(1->6)]-[beta-D-Xylp-(1->2)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->3)]-[alpha-L-Fucp-(1->6)]-beta-D-GlcpNAc > A branched amino nonasaccharide consisting of a β-D-GlcNAc residue at the reducing end with a β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-D-Man-(1→6)]-[β-D-Xyl-(1→2)]-β-D-Man-(1→4)-β-D-GlcNAc moiety attached via a β-(1→4)-linkage and two α-L-Fuc residues attached via α-(1→3)- and α-(1→6)-linkages. > 3 > O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-O-alpha-D-mannopyranosyl-(1->3)-O-[alpha-D-mannopyranosyl-(1->6)]-O-[beta-D-xylopyranosyl-(1->2)]-O-beta-D-mannopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-O-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-O-[6-deoxy-alpha-L-galactopyranosyl-(1->6)]-2-(acetylamino)-2-deoxy-beta-D-glucopyranose; N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-[alpha-D-mannosyl-(1->6)]-[beta-D-xylosyl-(1->2)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-[alpha-L-fucosyl-(1->3)]-[alpha-L-fucosyl-(1->6)]-N-acetyl-beta-D-glucosamine; GlcNAcbeta1-2Manalpha1-3(Manalpha1-6)(Xylbeta1-2)Manbeta1-4GlcNAcbeta1-4(Fucalpha1-3)(Fucalpha1-6)GlcNAcbeta; beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-[alpha-L-Fuc-(1->3)]-[alpha-L-Fuc-(1->6)]-beta-D-GlcNAc; 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-[beta-D-xylopyranosyl-(1->2)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-[6-deoxy-alpha-L-galactopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranose > 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)]-[beta-D-xylopyranosyl-(1->2)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-[alpha-L-fucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranose > C59H99N3O43 > 1538.419 > 1537.56523 > 0 > C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C59H99N3O43/c1-13-28(71)37(80)42(85)54(92-13)91-12-24-46(47(27(51(88)94-24)62-17(5)69)102-57-44(87)38(81)29(72)14(2)93-57)101-53-26(61-16(4)68)36(79)45(22(9-66)98-53)100-59-50(105-56-41(84)30(73)18(70)10-89-56)48(34(77)23(99-59)11-90-55-43(86)39(82)32(75)20(7-64)96-55)103-58-49(40(83)33(76)21(8-65)97-58)104-52-25(60-15(3)67)35(78)31(74)19(6-63)95-52/h13-14,18-59,63-66,70-88H,6-12H2,1-5H3,(H,60,67)(H,61,68)(H,62,69)/t13-,14-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31+,32+,33+,34+,35+,36+,37+,38+,39-,40-,41+,42-,43-,44-,45+,46+,47+,48-,49-,50-,51+,52-,53-,54+,55-,56-,57-,58+,59-/m0/s1 > DUPIRLMEKPHRAZ-YOMFZYBESA-N > 32568414 $$$$