Ketcher 11242116122D 1 1.00000 0.00000 0 75 80 0 1 0 999 V2000 16.7182 -27.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7182 -28.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8521 -27.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8521 -29.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9861 -27.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9861 -28.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5843 -27.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5843 -29.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8521 -30.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1201 -29.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1201 -27.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2541 -27.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5843 -30.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4501 -30.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7181 -30.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4501 -31.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7181 -31.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5841 -32.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3162 -30.3752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3162 -32.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5841 -33.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8521 -32.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8521 -33.3753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1823 -30.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0483 -30.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1823 -31.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4503 -24.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4503 -25.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5843 -24.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5843 -26.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7182 -24.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7182 -25.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3163 -24.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3163 -26.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8521 -26.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8521 -24.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9143 -22.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9143 -23.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0483 -22.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0483 -24.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1823 -22.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1823 -23.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7805 -22.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7805 -24.3753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0483 -25.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3163 -22.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4503 -22.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3786 -20.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3786 -21.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5125 -20.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5125 -22.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6465 -20.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6465 -21.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2445 -20.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2445 -22.3752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5125 -23.3751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7805 -20.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7805 -25.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6465 -25.8752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2445 -23.3751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1106 -23.8753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9143 -25.8752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3785 -23.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7805 -19.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7805 -17.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2806 -16.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2805 -18.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2806 -18.5093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7806 -17.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2806 -16.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7806 -19.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7806 -17.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7806 -15.9113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7805 -15.9113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9862 -24.8753 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 6 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 8 1 1 0 0 14 19 1 6 0 0 16 20 1 1 0 0 18 21 1 6 0 0 17 22 1 1 0 0 23 22 1 0 0 0 19 24 1 0 0 0 24 25 1 0 0 0 24 26 2 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 1 0 0 30 7 1 1 0 0 32 35 1 6 0 0 31 36 1 1 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 43 1 1 0 0 38 44 1 6 0 0 40 45 1 1 0 0 42 33 1 6 0 0 41 46 1 1 0 0 47 46 1 0 0 0 48 49 1 0 0 0 48 50 1 0 0 0 49 51 1 0 0 0 50 52 1 0 0 0 51 53 1 0 0 0 52 53 1 0 0 0 48 54 1 0 0 0 49 55 1 6 0 0 51 56 1 1 0 0 53 43 1 6 0 0 52 57 1 1 0 0 44 58 1 0 0 0 58 59 1 0 0 0 55 60 1 0 0 0 60 61 1 0 0 0 58 62 2 0 0 0 60 63 2 0 0 0 57 64 1 0 0 0 66 65 1 0 0 0 67 65 1 0 0 0 67 64 1 1 0 0 67 68 1 0 0 0 68 71 1 1 0 0 68 69 1 0 0 0 69 72 1 6 0 0 69 70 1 0 0 0 70 66 1 0 0 0 70 73 1 6 0 0 66 74 1 6 0 0 36 75 1 0 0 0 M END > CHEBI:148560 > beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-beta-D-Manp-(1->4)-beta-GlcpNAc-(1->4)-[alpha-L-Fucp-(1->6)]-D-GlcpNAc > A branched amino hexasaccharide derivative that is β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc in which the D-GlcNAc residue at the reducing end is substituted at position 6 by an α-L-Fuc residue. > 3 > WURCS=2.0/5,6,5/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-5/a4-b1_a6-f1_b4-c1_c3-d1_d2-e1; N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-[alpha-L-fucosyl-(1->6)]-N-acetyl-D-glucosamine; N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide; GlcNAcbeta1-2Manalpha1-3Manbeta1-4GlcNAcbeta1-4(Fucalpha1-6)GlcNAc; GlcNAc(b1-2)Man(a1-3)Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc; 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-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->6)]-2-acetamido-2-deoxy-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose > 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-[alpha-L-fucopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-glucopyranose > C42H71N3O30 > 1098.021 > 1097.41224 > 0 > C[C@@H]1O[C@@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O)[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](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/C42H71N3O30/c1-10-22(53)29(60)31(62)40(66-10)65-9-18-34(27(58)19(37(64)67-18)43-11(2)50)72-39-21(45-13(4)52)28(59)33(17(8-49)71-39)73-41-32(63)35(25(56)16(7-48)69-41)74-42-36(30(61)24(55)15(6-47)70-42)75-38-20(44-12(3)51)26(57)23(54)14(5-46)68-38/h10,14-42,46-49,53-64H,5-9H2,1-4H3,(H,43,50)(H,44,51)(H,45,52)/t10-,14+,15+,16+,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+/m0/s1 > XDRUYSWRCXMWNU-HGCXPHLSSA-N > 325 $$$$