Ketcher 02122117092D 1 1.00000 0.00000 0 62 66 0 1 0 999 V2000 12.1207 -35.9614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9882 -33.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9882 -34.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1207 -32.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1207 -34.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2533 -33.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2533 -34.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8556 -32.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8556 -34.9598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3859 -34.9598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3859 -32.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5185 -33.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7231 -30.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7231 -31.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8556 -29.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8556 -31.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9882 -30.4525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9882 -31.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5905 -29.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5905 -31.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1208 -31.9549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1208 -29.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2534 -30.4525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7230 -34.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7230 -33.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5905 -34.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1207 -36.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9881 -37.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2533 -37.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9881 -38.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2533 -38.4654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1207 -38.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8556 -36.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8555 -38.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1207 -39.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3859 -38.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3858 -39.9678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7229 -38.4655 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5903 -38.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7270 -37.5726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7271 -39.4696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6512 -34.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4015 -36.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6746 -37.9781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9320 -36.9899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5224 -35.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5303 -36.4689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6668 -36.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7955 -36.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7876 -35.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9164 -34.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1928 -28.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1928 -29.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3253 -27.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3253 -29.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4579 -28.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4579 -29.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0602 -27.9485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0602 -29.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3253 -30.9533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5905 -27.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7231 -28.4493 0.0000 O 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 8 1 1 0 0 3 9 1 6 0 0 5 1 1 1 0 0 7 10 1 6 0 0 6 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 8 1 1 0 0 18 21 1 1 0 0 17 22 1 1 0 0 23 22 1 0 0 0 24 25 2 0 0 0 24 26 1 0 0 0 9 24 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 1 1 1 0 0 28 33 1 6 0 0 30 34 1 1 0 0 32 35 1 1 0 0 31 36 1 1 0 0 37 36 1 0 0 0 34 38 1 0 0 0 38 39 1 0 0 0 38 40 2 0 0 0 38 41 2 0 0 0 46 10 1 1 0 0 42 46 1 0 0 0 42 50 1 0 0 0 47 43 1 1 0 0 48 44 1 6 0 0 49 45 1 6 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 1 6 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 0 0 0 53 59 1 6 0 0 55 60 1 1 0 0 57 19 1 6 0 0 56 61 1 1 0 0 62 61 1 0 0 0 M END > CHEBI:167484 > alpha-L-Fucp-(1->4)-[beta-D-Galp3S-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp > A sulfated branched amino pentasaccharide consisting of D-glucose at the reducing end with an α-L-fucosyl-(1→4)-[3-O-sulfo-β-D-galactosyl-(1→3)]-N-acetyl-β-D-glucosaminyl-(1→3)-β-D-galactosyl moiety attached at the 4-position. > 3 > Fucalpha1-4(Gal3Sbeta1-3)GlcNAcbeta1-3Galbeta1-4Glc; alpha-L-fucosyl-(1->4)-[3-O-sulfo-beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-D-galactosyl-(1->4)-D-glucose; 6-deoxy-alpha-L-galactopyranosyl-(1->4)-[3-O-sulfo-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose; 3'SuLe(a)5; 3'-sulfated Lewis(a) pentasaccharide; 3'-sulfated Lewis a pentasaccharide; 3'-sulfated Le(a) pentasaccharide > alpha-L-fucopyranosyl-(1->4)-[3-O-sulfo-beta-D-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose > C32H55NO28S > 933.830 > 933.26313 > 0 > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C32H55NO28S/c1-7-14(39)17(42)20(45)30(52-7)58-24-12(6-37)56-29(13(33-8(2)38)25(24)59-32-22(47)27(61-62(49,50)51)16(41)10(4-35)55-32)60-26-15(40)9(3-34)54-31(21(26)46)57-23-11(5-36)53-28(48)19(44)18(23)43/h7,9-32,34-37,39-48H,3-6H2,1-2H3,(H,33,38)(H,49,50,51)/t7-,9+,10+,11+,12+,13+,14+,15-,16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26-,27-,28?,29-,30-,31-,32-/m0/s1 > KYZJPMGOIQQUTM-KQQZEIJVSA-N > 9858646 $$$$