Ketcher 08182218102D 1 1.00000 0.00000 0 127136 0 1 0 999 V2000 19.5659 -76.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6984 -76.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5659 -75.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8308 -76.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6984 -74.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8308 -75.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4339 -76.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6984 -77.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9628 -76.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9628 -74.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6984 -73.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8308 -73.1140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2275 -71.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3596 -72.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2274 -70.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4918 -71.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3596 -70.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4918 -70.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0951 -72.1121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3596 -73.1139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6241 -72.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6241 -70.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3596 -69.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8308 -72.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9628 -71.6111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6984 -71.6109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9628 -70.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6984 -70.6089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8308 -70.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0951 -70.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8308 -69.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5659 -70.1079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5659 -69.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0370 -75.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0370 -76.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1692 -74.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1692 -76.6210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3016 -75.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3016 -76.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9049 -74.6170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9049 -76.6210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.1692 -77.6229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4339 -74.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9047 -77.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7725 -78.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0370 -78.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4339 -73.6150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5080 -73.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5081 -74.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6402 -72.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.6402 -74.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7726 -73.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7726 -74.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3759 -72.6131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.3759 -74.6170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.6402 -75.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9047 -72.6132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0370 -73.1142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2435 -74.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2435 -73.1140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1112 -74.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0272 -78.3676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0272 -76.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5262 -77.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5262 -75.7644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5243 -77.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5243 -75.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0233 -76.6320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0231 -78.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0213 -76.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0233 -74.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9280 -74.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1981 -78.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2001 -78.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6962 -79.3585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7001 -79.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1959 -80.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1980 -80.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7023 -77.6256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7021 -79.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6977 -81.0965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2274 -73.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0951 -73.1140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2201 -74.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2275 -68.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7565 -69.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8887 -70.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7565 -68.6050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0209 -69.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8887 -68.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0209 -68.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8886 -71.1100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1533 -70.1078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1533 -68.1039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8887 -67.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0209 -66.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5262 -79.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0269 -80.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5240 -79.2352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5257 -80.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0229 -80.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5237 -80.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0289 -80.1032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0266 -81.8385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0227 -81.8383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0209 -80.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5296 -80.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5317 -80.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0284 -81.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5200 -79.2349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5217 -82.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0227 -83.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5196 -82.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5217 -84.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0187 -83.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5196 -84.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0246 -83.5738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0225 -85.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0187 -85.3091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 -83.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5157 -84.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5256 -84.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5276 -84.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0246 -85.3093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0208 -71.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0206 -72.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1530 -71.1097 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 22 1 6 0 0 17 23 1 1 0 0 24 25 1 0 0 0 24 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 29 1 0 0 0 24 12 1 6 0 0 25 19 1 1 0 0 27 30 1 1 0 0 29 31 1 6 0 0 28 32 1 1 0 0 33 32 1 0 0 0 34 35 1 0 0 0 34 36 1 0 0 0 35 37 1 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 38 39 1 0 0 0 34 40 1 1 0 0 35 41 1 6 0 0 37 42 1 1 0 0 39 7 1 6 0 0 38 43 1 1 0 0 45 44 2 0 0 0 46 44 1 0 0 0 41 44 1 0 0 0 43 47 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 1 0 0 49 55 1 6 0 0 51 56 1 1 0 0 53 40 1 6 0 0 52 57 1 1 0 0 58 57 1 0 0 0 60 59 2 0 0 0 61 59 1 0 0 0 55 59 1 0 0 0 63 64 1 0 0 0 63 65 1 0 0 0 64 66 1 0 0 0 65 67 1 0 0 0 66 68 1 0 0 0 67 68 1 0 0 0 64 62 1 1 0 0 66 69 1 1 0 0 68 70 1 6 0 0 67 71 1 1 0 0 72 71 1 0 0 0 63 9 1 6 0 0 73 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 78 1 0 0 0 77 78 1 0 0 0 73 8 1 1 0 0 74 79 1 6 0 0 76 80 1 1 0 0 78 81 1 6 0 0 83 82 2 0 0 0 84 82 1 0 0 0 20 82 1 0 0 0 23 85 1 0 0 0 86 87 1 0 0 0 86 88 1 0 0 0 87 89 1 0 0 0 88 90 1 0 0 0 89 91 1 0 0 0 90 91 1 0 0 0 86 22 1 1 0 0 87 92 1 6 0 0 89 93 1 1 0 0 91 94 1 1 0 0 90 95 1 1 0 0 96 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 97 62 1 1 0 0 98103 1 6 0 0 100104 1 1 0 0 102105 1 6 0 0 101106 1 1 0 0 107108 1 0 0 0 107109 2 0 0 0 103107 1 0 0 0 106110 1 0 0 0 111112 1 0 0 0 111113 1 0 0 0 112114 1 0 0 0 113115 1 0 0 0 114116 1 0 0 0 115116 1 0 0 0 111105 1 1 0 0 112117 1 6 0 0 114118 1 1 0 0 116119 1 1 0 0 115120 1 1 0 0 121120 1 0 0 0 122123 1 0 0 0 122124 2 0 0 0 117122 1 0 0 0 125126 1 0 0 0 125127 2 0 0 0 92125 1 0 0 0 M END > CHEBI:192283 > beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)-[beta-D-GalpNAc-(1->4)-beta-D-GlcpNAc-(1->2)-alpha-D-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 decasaccharide consisting of a β-D-GlcNAc residue at the reducing end with a β-D-GalNAc-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[β-D-GalNAc-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-[β-D-Xyl-(1→2)]-β-D-Man-(1→4)-β-D-GlcNAc moiety attached via a β-(1→4)-linkage. > 3 > O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-O-alpha-D-mannopyranosyl-(1->3)-O-[O-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-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; N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)-[N-acetyl-beta-D-galactosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->2)-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; GalNAcbeta1-4GlcNAcbeta1-2Manalpha1-3(GalNAcbeta1-4GlcNAcbeta1-2Manalpha1-6)(Xylbeta1-2)Manbeta1-4GlcNAcbeta1-4GlcNAcbeta; beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc; 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-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 > 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-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 > C71H118N6O50 > 1855.717 > 1854.68753 > 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]3O[C@H](CO[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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[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]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O > InChI=1S/C71H118N6O50/c1-17(86)72-33-47(101)54(28(11-82)111-62(33)108)120-65-36(75-20(4)89)50(104)57(31(14-85)116-65)123-71-61(127-68-53(107)39(93)23(92)15-109-68)58(124-70-60(52(106)43(97)27(10-81)115-70)126-67-38(77-22(6)91)49(103)56(30(13-84)118-67)122-64-35(74-19(3)88)46(100)41(95)25(8-79)113-64)44(98)32(119-71)16-110-69-59(51(105)42(96)26(9-80)114-69)125-66-37(76-21(5)90)48(102)55(29(12-83)117-66)121-63-34(73-18(2)87)45(99)40(94)24(7-78)112-63/h23-71,78-85,92-108H,7-16H2,1-6H3,(H,72,86)(H,73,87)(H,74,88)(H,75,89)(H,76,90)(H,77,91)/t23-,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+,64+,65+,66+,67+,68+,69+,70-,71+/m1/s1 > ZPWQEKGCLWHJJE-YKNYIFAASA-N > 32568414 $$$$