Marvin 12051217072D 65 69 0 0 1 0 999 V2000 8.9477 -22.4653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9477 -23.2903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2332 -22.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2332 -23.7028 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5187 -22.4653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5187 -23.2903 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6622 -22.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6622 -23.7028 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2332 -24.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8043 -23.7028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8043 -22.0528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0899 -22.4653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3767 -19.9904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3767 -20.8154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6622 -19.5779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6622 -21.2279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9477 -19.9904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9477 -20.8154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0911 -19.5779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0911 -21.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2333 -21.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2333 -19.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5188 -19.9904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6622 -24.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3767 -24.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9477 -24.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2346 -18.3404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2346 -19.1654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5201 -17.9279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5201 -19.5779 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8056 -18.3404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8056 -19.1654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9491 -17.9279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9491 -19.5779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5201 -20.4029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0911 -17.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3767 -18.3404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9491 -20.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6635 -20.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2346 -20.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6636 -15.8654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6636 -16.6904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9491 -15.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9491 -17.1029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2346 -15.8654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2346 -16.6904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3781 -15.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3781 -17.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5201 -17.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5201 -15.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8057 -15.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5215 -14.2154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5215 -15.0404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8070 -13.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8070 -15.4529 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0925 -14.2154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0925 -15.0404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2360 -13.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2360 -15.4529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8070 -16.2779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3781 -13.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6636 -14.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2360 -16.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9505 -16.6904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5215 -16.6903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 1 7 1 1 0 0 0 2 8 1 6 0 0 0 4 9 1 1 0 0 0 6 10 1 6 0 0 0 5 11 1 1 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 13 19 1 1 0 0 0 14 20 1 6 0 0 0 16 7 1 1 0 0 0 18 21 1 1 0 0 0 17 22 1 1 0 0 0 23 22 1 0 0 0 0 8 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 1 0 0 0 0 27 33 1 1 0 0 0 28 34 1 6 0 0 0 30 35 1 1 0 0 0 32 19 1 6 0 0 0 31 36 1 1 0 0 0 37 36 1 0 0 0 0 34 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 1 0 0 0 0 44 46 1 0 0 0 0 45 46 1 0 0 0 0 41 47 1 1 0 0 0 42 48 1 6 0 0 0 44 33 1 1 0 0 0 46 49 1 1 0 0 0 45 50 1 1 0 0 0 51 50 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 55 57 1 0 0 0 0 56 57 1 0 0 0 0 52 58 1 1 0 0 0 53 59 1 6 0 0 0 55 60 1 1 0 0 0 57 47 1 6 0 0 0 56 61 1 1 0 0 0 62 61 1 0 0 0 0 59 63 1 0 0 0 0 63 64 1 0 0 0 0 63 65 2 0 0 0 0 M END > CHEBI:71357 > beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc > A linear amino pentasaccharide comprising three N-acetyl-β-D-glucosamine residues, connected via β-D-galactose residues in (1→3), (1→4), (1→3) and (1→3) linkages respectively. > 3 > O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose; N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-2-acetamido-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosamine; GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta; GlcNAcb1-3Galb1-4GlcNAcb1-3Galb1-4GlcNAcb; beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc > 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose > C36H61N3O26 > 951.87400 > 951.35433 > 0 > CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O > InChI=1S/C36H61N3O26/c1-9(45)37-17-24(52)28(15(7-43)57-32(17)56)62-35-27(55)31(22(50)14(6-42)59-35)65-34-19(39-11(3)47)25(53)29(16(8-44)61-34)63-36-26(54)30(21(49)13(5-41)60-36)64-33-18(38-10(2)46)23(51)20(48)12(4-40)58-33/h12-36,40-44,48-56H,4-8H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-,25-,26-,27-,28-,29-,30+,31+,32-,33+,34+,35+,36+/m1/s1 > GJEPDYXUPJTULH-ZPYAIDHRSA-N > 19443021; 25568069; 31537530 $$$$