Ketcher 10182217052D 1 1.00000 0.00000 0 99106 0 1 0 999 V2000 13.8664 -6.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9994 -7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9994 -8.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1323 -6.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1323 -8.8925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2653 -7.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2653 -8.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8664 -8.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1323 -9.8937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3983 -8.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3983 -6.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6317 -10.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1323 -11.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6306 -10.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6316 -12.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 -11.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6306 -12.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1333 -11.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1322 -13.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 -13.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1289 -11.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6282 -12.4948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6339 -12.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6351 -12.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1335 -13.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1357 -13.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6340 -14.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6351 -14.2287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1357 -11.6277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1367 -13.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1356 -15.0957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1333 -15.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6340 -15.9628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1370 -11.6277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6375 -10.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6375 -12.4947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6272 -12.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1266 -13.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1266 -11.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1255 -13.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1255 -11.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6249 -12.4950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6273 -14.2290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6247 -14.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6237 -12.4950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6249 -10.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6237 -10.7608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1266 -15.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6272 -15.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1256 -15.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5313 -7.3909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4674 -5.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4674 -6.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6003 -4.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6003 -6.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7334 -5.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7334 -6.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3343 -4.8881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3343 -6.8903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6003 -7.8914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8664 -4.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9994 -5.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9354 -3.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9354 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0685 -2.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0685 -4.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2014 -3.3864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2014 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8025 -2.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8025 -4.8881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0685 -5.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3343 -2.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3343 -7.8914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9922 -8.3878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4674 -8.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3343 -1.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6695 -4.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6695 -3.3864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5365 -4.8881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4673 -0.3830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6003 0.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4673 -1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6003 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7334 -1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7334 -0.3829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6002 -2.8858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8661 -1.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8664 0.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6003 1.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0685 -7.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5689 -8.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5691 -6.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5702 -6.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0706 -7.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5699 -8.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0708 -5.8892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0719 -7.6232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0706 -9.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1301 -9.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 7 1 0 0 0 6 7 1 0 0 0 2 1 1 1 0 0 3 8 1 1 0 0 5 9 1 1 0 0 7 10 1 6 0 0 6 11 1 1 0 0 12 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 17 1 0 0 0 12 9 1 6 0 0 13 18 1 1 0 0 15 19 1 1 0 0 17 20 1 6 0 0 16 21 1 1 0 0 22 21 1 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 28 1 0 0 0 23 18 1 1 0 0 24 29 1 6 0 0 26 30 1 1 0 0 28 31 1 6 0 0 27 32 1 1 0 0 33 32 1 0 0 0 34 35 1 0 0 0 34 36 2 0 0 0 29 34 1 0 0 0 37 38 1 0 0 0 37 39 1 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 40 42 1 0 0 0 41 42 1 0 0 0 37 22 1 1 0 0 38 43 1 6 0 0 40 44 1 1 0 0 42 45 1 6 0 0 41 46 1 1 0 0 47 46 1 0 0 0 48 49 1 0 0 0 48 50 2 0 0 0 43 48 1 0 0 0 11 51 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 52 58 1 1 0 0 53 59 1 6 0 0 55 60 1 1 0 0 57 1 1 6 0 0 56 61 1 1 0 0 62 61 1 0 0 0 63 64 1 0 0 0 63 65 1 0 0 0 64 66 1 0 0 0 65 67 1 0 0 0 66 68 1 0 0 0 67 68 1 0 0 0 63 69 1 1 0 0 64 70 1 6 0 0 66 71 1 1 0 0 68 58 1 6 0 0 67 72 1 1 0 0 59 73 1 0 0 0 73 74 1 0 0 0 73 75 2 0 0 0 72 76 1 0 0 0 77 78 2 0 0 0 77 79 1 0 0 0 70 77 1 0 0 0 81 80 1 0 0 0 82 80 1 0 0 0 82 76 1 1 0 0 82 83 1 0 0 0 83 86 1 1 0 0 83 84 1 0 0 0 84 87 1 6 0 0 84 85 1 0 0 0 85 81 1 0 0 0 85 88 1 6 0 0 81 89 1 6 0 0 91 90 1 0 0 0 92 90 1 0 0 0 92 71 1 1 0 0 92 93 1 0 0 0 93 96 1 1 0 0 93 94 1 0 0 0 94 97 1 6 0 0 94 95 1 0 0 0 95 91 1 0 0 0 95 98 1 6 0 0 91 99 1 6 0 0 M END > CHEBI:189582 > alpha-L-Fucp-(1->3)-[alpha-L-Fucp-(1->6)]-{beta-D-GlcpNAc-(1->2)-[beta-D-GlcpNAc-(1->6)]-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)}-beta-D-GlcpNAc > A branched amino octasaccharide derivative that is β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc in which the mannosyl group is substituted at position 3 by a β-D-GlcNAc-(1→2)-[β-D-GlcNAc-(1→6)]-α-D-Man group, while the β-D-GlcNAc residue at the reducing end carries two α-L-Fuc residues via (1→3) and (1→6) linkages. > 3 > O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->6)]-O-alpha-D-mannopyranosyl-(1->3)-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-deoxybeta-D-glucopyranose-; N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl-(1->3)-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; Fucalpha1-3(Fucalpha1-6){GlcNAcbeta1-2(GlcNAcbeta1-6)Manalpha1-3Manbeta1-4GlcNAcbeta1-4}GlcNAcbeta; beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-{alpha-L-Fuc-(1->3)-[alpha-L-Fuc-(1->6)]}-beta-D-GlcNAc; alpha-L-Fuc-(1->3)-[alpha-L-Fuc-(1->6)]-{beta-D-GlcNAc-(1->2)-[beta-D-GlcNAc-(1->6)]-alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)}-beta-D-GlcNAc; 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->3)-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)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-alpha-D-mannopyranosyl-(1->3)-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 > C56H94N4O39 > 1447.357 > 1446.54952 > 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](O)[C@H](O[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[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](O)[C@H]2NC(C)=O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C56H94N4O39/c1-13-29(69)38(78)41(81)53(87-13)86-12-24-45(46(28(49(84)89-24)60-18(6)68)97-54-42(82)39(79)30(70)14(2)88-54)96-52-27(59-17(5)67)37(77)44(22(10-64)93-52)95-55-43(83)47(34(74)21(9-63)92-55)98-56-48(99-51-26(58-16(4)66)36(76)32(72)20(8-62)91-51)40(80)33(73)23(94-56)11-85-50-25(57-15(3)65)35(75)31(71)19(7-61)90-50/h13-14,19-56,61-64,69-84H,7-12H2,1-6H3,(H,57,65)(H,58,66)(H,59,67)(H,60,68)/t13-,14-,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+/m0/s1 > IKUKOSKYWMHSBN-LTVULLBKSA-N > 32568414 $$$$