Ketcher 12202216302D 1 1.00000 0.00000 0 106114 0 1 0 999 V2000 14.7949 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9299 -12.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7949 -11.1955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0650 -12.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9299 -10.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0650 -11.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6602 -12.6941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9299 -13.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1997 -12.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1997 -10.6961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9299 -9.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0650 -9.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2553 -11.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2553 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3903 -10.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3903 -12.6941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5252 -11.1955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5252 -12.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1205 -10.6962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1205 -12.6941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3903 -13.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6602 -10.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1204 -13.6929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9855 -14.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2553 -14.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6602 -9.6972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7159 -9.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7160 -10.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8506 -8.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8506 -10.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9858 -9.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9858 -10.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5811 -8.6984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5811 -10.6962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8506 -11.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1204 -8.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4460 -10.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4460 -9.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3112 -10.6962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2668 -14.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2668 -12.7052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7673 -13.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7673 -11.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7685 -13.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7685 -11.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2691 -12.7050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2688 -14.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2701 -12.7050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2691 -10.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1772 -10.8616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4281 -14.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4270 -14.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9277 -15.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9255 -15.4258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4259 -16.2889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4249 -16.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9277 -13.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9245 -15.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9231 -17.1559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7673 -15.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2665 -16.1656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7682 -15.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7669 -17.0307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2686 -16.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7679 -17.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2655 -16.1657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2662 -17.8957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2685 -17.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -16.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7647 -17.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7636 -17.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2650 -17.8960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7702 -15.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4034 -18.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4034 -19.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5381 -17.8955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5383 -19.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6731 -18.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6731 -19.3938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2685 -19.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5381 -20.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8082 -19.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8081 -17.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 -18.3949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3914 -19.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3850 -20.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2599 -18.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1216 -19.3998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1152 -20.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2467 -20.8927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9901 -18.9058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9771 -20.9040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2403 -21.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5217 -20.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2553 -9.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3236 -8.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0538 -8.2649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1888 -7.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9190 -7.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1888 -6.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9190 -6.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0540 -6.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3238 -6.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0540 -5.2682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7840 -6.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8974 -5.1752 0.0000 O 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 13 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 18 1 0 0 0 13 19 1 1 0 0 14 20 1 6 0 0 16 21 1 1 0 0 18 7 1 6 0 0 17 22 1 1 0 0 24 23 2 0 0 0 25 23 1 0 0 0 20 23 1 0 0 0 22 26 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 31 32 1 0 0 0 27 33 1 1 0 0 28 34 1 6 0 0 30 35 1 1 0 0 32 19 1 6 0 0 31 36 1 1 0 0 38 37 2 0 0 0 39 37 1 0 0 0 34 37 1 0 0 0 41 42 1 0 0 0 41 43 1 0 0 0 42 44 1 0 0 0 43 45 1 0 0 0 44 46 1 0 0 0 45 46 1 0 0 0 42 40 1 1 0 0 44 47 1 1 0 0 46 48 1 6 0 0 45 49 1 1 0 0 50 49 1 0 0 0 41 9 1 6 0 0 51 52 1 0 0 0 51 53 1 0 0 0 52 54 1 0 0 0 53 55 1 0 0 0 54 56 1 0 0 0 55 56 1 0 0 0 51 8 1 1 0 0 52 57 1 6 0 0 54 58 1 1 0 0 56 59 1 6 0 0 60 61 1 0 0 0 60 62 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 65 1 0 0 0 60 40 1 1 0 0 61 66 1 6 0 0 63 67 1 1 0 0 65 68 1 6 0 0 64 69 1 1 0 0 70 71 1 0 0 0 70 72 2 0 0 0 66 70 1 0 0 0 69 73 1 0 0 0 74 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 78 1 0 0 0 77 79 1 0 0 0 78 79 1 0 0 0 74 68 1 1 0 0 75 80 1 6 0 0 77 81 1 1 0 0 79 82 1 1 0 0 78 83 1 1 0 0 84 83 1 0 0 0 86 85 1 0 0 0 87 85 1 0 0 0 87 67 1 1 0 0 87 88 1 0 0 0 88 91 1 1 0 0 88 89 1 0 0 0 89 92 1 6 0 0 89 90 1 0 0 0 90 86 1 0 0 0 90 93 1 6 0 0 86 94 1 6 0 0 36 95 1 0 0 0 97 98 1 0 0 0 97 99 1 0 0 0 98100 1 0 0 0 99101 1 0 0 0 100102 1 0 0 0 101102 1 0 0 0 98 96 1 1 0 0 100103 1 1 0 0 102104 1 6 0 0 101105 1 1 0 0 106105 1 0 0 0 97 12 1 6 0 0 M END > CHEBI:192487 > alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-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)-beta-D-GlcpNAc > A branched amino nonasaccharide comprised of a backbone of β-D-galactosyl, N-acetyl-β-D-glucosaminyl, α-D-mannosyl, β-D-mannosyl, N-acetyl-β-D-glucosaminyl and N-acetyl-β-D-glucosamine residues linked in sequence (1→4), (1→2), (1→3), (1→4) and (1→4), to the β-D-mannosyl residue are also linked (1→2) and (1→6) β-D-xylosyl and α-D-mannosyl residues respectively, while the D-GlcNAc residue distal to the reducing end has also linked (1→3) to it an α-L-fucosyl residue. > 3 > O-6-deoxy-alpha-L-galactopyranosyl-(1->3)-O-[beta-D-galactopyranosyl-(1->4)]-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-O-alpha-D-mannopyranosyl-(1->3)-O-[-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)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose; Fucalpha1-3(GalNAcbeta1-4)GlclNAcbeta1-2Manalpha1-3(Manalpha1-6)(Xylbeta1-2)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta; alpha-L-fucosyl-(1->3)-[beta-D-galactosyl-(1->4)]-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)-N-acetyl-beta-D-glucosamine; alpha-L-Fuc-(1->6)-[beta-D-Gal-(1->4)]-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)-beta-D-GlcNAc; 6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-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)-2-acetamido-2-deoxy-beta-D-glucopyranose > alpha-L-fucopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-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)-2-acetamido-2-deoxy-beta-D-glucopyranose > C59H99N3O44 > 1554.418 > 1553.56014 > 0 > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O[C@H]3[C@H](O)[C@@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]5CO)O[C@@H]4CO)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C59H99N3O44/c1-13-28(73)36(81)42(87)56(92-13)103-47-27(62-16(4)71)53(98-23(10-68)46(47)102-57-43(88)38(83)31(76)19(6-64)95-57)105-49-39(84)32(77)20(7-65)96-58(49)104-48-33(78)24(12-91-54-41(86)37(82)30(75)18(5-63)94-54)99-59(50(48)106-55-40(85)29(74)17(72)11-90-55)101-45-22(9-67)97-52(26(35(45)80)61-15(3)70)100-44-21(8-66)93-51(89)25(34(44)79)60-14(2)69/h13,17-59,63-68,72-89H,5-12H2,1-4H3,(H,60,69)(H,61,70)(H,62,71)/t13-,17+,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 > PIIRKBIVPPMKJN-AAZSXRMISA-N > 32568414 $$$$