Marvin 02051314502D 117125 0 0 1 0 999 V2000 7.4154 -25.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5530 -26.2569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8657 -25.8447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5530 -27.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5966 -25.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1513 -26.2569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8657 -27.4939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3223 -24.7593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1513 -27.0816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8657 -28.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4366 -25.8171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7003 -26.1889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9733 -25.7245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2127 -26.1084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4949 -24.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6297 -27.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4366 -27.4939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4366 -28.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6944 -28.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1513 -28.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8072 -24.5978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1428 -25.3721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2733 -25.8480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2733 -26.6730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5587 -25.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5587 -27.0856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8443 -25.8480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8443 -26.6730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9877 -25.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9877 -27.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5587 -27.9106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1298 -27.0856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1298 -25.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1312 -24.1980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1312 -25.0230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4167 -23.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4167 -25.4355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7022 -24.1980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7022 -25.0230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8456 -23.7855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8456 -25.4355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4167 -26.2605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9877 -23.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2733 -24.1980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8456 -26.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5601 -26.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1311 -26.6730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5601 -21.7230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5601 -22.5480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8457 -21.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8457 -22.9605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1312 -21.7230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1312 -22.5480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2747 -21.3105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2747 -22.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4167 -22.9605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4167 -21.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7023 -21.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4181 -20.0730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4181 -20.8980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7037 -19.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7037 -21.3105 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9891 -20.0730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9891 -20.8980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1325 -19.6605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1325 -21.3105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7037 -22.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2747 -19.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5603 -20.0730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8471 -20.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5615 -21.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8471 -20.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7037 -23.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1162 -24.2789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1162 -22.8499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9411 -22.8499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3536 -23.5644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9411 -24.2789 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3536 -22.1355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1786 -23.5644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3536 -24.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7037 -24.9934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8471 -17.5980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8471 -18.4230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1326 -17.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1326 -18.8355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4181 -17.5980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4181 -18.4230 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5615 -17.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5615 -18.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7037 -18.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7037 -17.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9891 -17.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7051 -15.9480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7051 -16.7730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9906 -15.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9906 -17.1855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2761 -15.9480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2761 -16.7730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4195 -15.5354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4195 -17.1855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9906 -18.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5615 -15.5354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8471 -15.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1340 -16.7730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8485 -17.1855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1340 -15.9480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9906 -19.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4031 -20.1538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4031 -18.7249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2281 -18.7249 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6406 -19.4393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2281 -20.1538 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6406 -18.0105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4655 -19.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6406 -20.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9906 -20.8683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 2 1 1 6 0 0 0 2 4 1 0 0 0 0 2 5 1 1 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 6 0 0 0 7 9 1 0 0 0 0 6 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 11 15 1 1 0 0 0 12 16 1 6 0 0 0 9 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 5 21 2 0 0 0 0 6 22 1 1 0 0 0 23 24 1 0 0 0 0 23 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 28 1 0 0 0 0 23 29 1 1 0 0 0 24 30 1 6 0 0 0 26 31 1 1 0 0 0 28 32 1 1 0 0 0 27 33 1 1 0 0 0 1 33 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 39 1 0 0 0 0 34 40 1 1 0 0 0 35 41 1 6 0 0 0 37 42 1 1 0 0 0 39 29 1 6 0 0 0 38 43 1 1 0 0 0 44 43 1 0 0 0 0 41 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 53 1 0 0 0 0 48 54 1 1 0 0 0 49 55 1 6 0 0 0 51 40 1 1 0 0 0 53 56 1 1 0 0 0 52 57 1 1 0 0 0 58 57 1 0 0 0 0 59 60 1 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 61 63 1 0 0 0 0 62 64 1 0 0 0 0 63 64 1 0 0 0 0 59 65 1 1 0 0 0 60 66 1 6 0 0 0 62 67 1 1 0 0 0 64 54 1 6 0 0 0 63 68 1 1 0 0 0 69 68 1 0 0 0 0 66 70 1 0 0 0 0 70 71 1 0 0 0 0 70 72 2 0 0 0 0 74 73 1 0 0 0 0 75 73 1 0 0 0 0 75 67 1 1 0 0 0 75 76 1 0 0 0 0 76 79 1 1 0 0 0 76 77 1 0 0 0 0 77 80 1 6 0 0 0 77 78 1 0 0 0 0 78 74 1 0 0 0 0 78 81 1 6 0 0 0 74 82 1 6 0 0 0 83 84 1 0 0 0 0 83 85 1 0 0 0 0 84 86 1 0 0 0 0 85 87 1 0 0 0 0 86 88 1 0 0 0 0 87 88 1 0 0 0 0 83 89 1 1 0 0 0 84 90 1 6 0 0 0 86 65 1 1 0 0 0 88 91 1 1 0 0 0 87 92 1 1 0 0 0 93 92 1 0 0 0 0 94 95 1 0 0 0 0 94 96 1 0 0 0 0 95 97 1 0 0 0 0 96 98 1 0 0 0 0 97 99 1 0 0 0 0 98 99 1 0 0 0 0 94100 1 1 0 0 0 95101 1 6 0 0 0 97102 1 1 0 0 0 99 89 1 6 0 0 0 98103 1 1 0 0 0 104103 1 0 0 0 0 101105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 109108 1 0 0 0 0 110108 1 0 0 0 0 110102 1 1 0 0 0 110111 1 0 0 0 0 111114 1 1 0 0 0 111112 1 0 0 0 0 112115 1 6 0 0 0 112113 1 0 0 0 0 113109 1 0 0 0 0 113116 1 6 0 0 0 109117 1 6 0 0 0 M END > CHEBI:72008 > alpha-Neup5Ac-(2->6)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc > An amino nonasaccharide comprising a sequence of α-sialyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl, β-D-galactosyl, N-acetyl-β-D-glucosaminyl, β-D-galactosyl and N-acetyl-β-D-glucosamine residues connected by (2→6), (1→4), (1→3), (1→4), (1→3), (1→4) and (1→3) linkages respectively, to the reducing-end and proximal N-acetyl-β-D-glucosaminyl residues of which are also (1→3)-linked α-L-fucosyl residues. > 3 > WURCS=2.0/4,9,8/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-1-2-3-1-3-4/a3-b1_a4-c1_c3-d1_d3-e1_d4-f1_f3-g1_g4-h1_h6-i2; Neu5Acalpha2-6Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta; N-acetyl-alpha-neuraminyl-(2->6)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosamine; alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc > 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranose > C65H108N4O47 > 1697.55160 > 1696.61839 > 0 > [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)[C@H](NC(C)=O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO > InChI=1S/C65H108N4O47/c1-15-33(82)40(89)43(92)59(101-15)112-52-31(68-19(5)78)56(97)103-26(12-74)49(52)110-62-47(96)55(38(87)24(10-72)104-62)115-58-32(69-20(6)79)53(113-60-44(93)41(90)34(83)16(2)102-60)50(27(13-75)107-58)111-63-46(95)54(37(86)23(9-71)105-63)114-57-30(67-18(4)77)39(88)48(25(11-73)106-57)109-61-45(94)42(91)36(85)28(108-61)14-100-65(64(98)99)7-21(80)29(66-17(3)76)51(116-65)35(84)22(81)8-70/h15-16,21-63,70-75,80-97H,7-14H2,1-6H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,98,99)/t15-,16-,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-,60-,61-,62-,63-,65+/m0/s1 > NTLUHLLEFBQGEC-PJAFKPHGSA-N > 19443021; 31537530 $$$$