11FR8_GDU_A_100 2 RCSB PDB12061702313D 3Coordinates from PDB:1FR8:A:100 Model:1 without hydrogens 4 25 26 0 0 0 0 999 V2000 5 14.0090 19.2740 7.2290 N 0 0 0 0 0 0 0 0 0 0 0 0 6 14.3130 19.2680 5.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 7 13.2820 18.9320 5.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 8 11.9630 18.5910 5.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 9 11.7310 18.6070 6.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 10 12.7170 18.9380 7.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 11 15.4470 19.5640 5.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 12 11.1190 18.3050 4.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 13 15.1340 19.6900 8.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 14 15.1790 21.0420 8.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 15 15.3910 22.2130 7.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 16 16.2330 20.7490 9.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 17 15.6060 19.4830 10.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 18 15.3620 18.7660 9.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 19 17.4360 20.4140 9.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 20 14.3170 19.6850 11.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 21 13.1610 20.2940 10.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 22 11.6920 20.5750 11.1480 P 0 0 0 0 0 0 0 0 0 0 0 0 23 10.9380 21.7430 10.6490 O 0 0 0 0 0 0 0 0 0 0 0 0 24 11.2410 19.9850 12.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 25 12.6910 21.6230 12.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 26 12.4450 22.4170 13.4250 P 0 0 0 0 0 0 0 0 0 0 0 0 27 13.7200 23.3220 13.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 28 11.2850 22.0670 14.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 29 12.8220 21.1420 14.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 30 1 2 1 0 0 0 0 31 1 6 1 0 0 0 0 32 1 9 1 0 0 0 0 33 2 3 1 0 0 0 0 34 2 7 2 0 0 0 0 35 3 4 1 0 0 0 0 36 4 5 1 0 0 0 0 37 4 8 2 0 0 0 0 38 5 6 2 0 0 0 0 39 9 10 1 0 0 0 0 40 9 14 1 0 0 0 0 41 10 11 1 0 0 0 0 42 10 12 1 0 0 0 0 43 12 13 1 0 0 0 0 44 12 15 1 0 0 0 0 45 13 14 1 0 0 0 0 46 13 16 1 0 0 0 0 47 16 17 1 0 0 0 0 48 17 18 1 0 0 0 0 49 18 19 2 0 0 0 0 50 18 20 1 0 0 0 0 51 18 21 1 0 0 0 0 52 21 22 1 0 0 0 0 53 22 23 2 0 0 0 0 54 22 24 1 0 0 0 0 55 22 25 1 0 0 0 0 56A 1 57N1 58A 2 59C2 60A 3 61N3 62A 4 63C4 64A 5 65C5 66A 6 67C6 68A 7 69O2 70A 8 71O4 72A 9 73C1D 74A 10 75C2D 76A 11 77O2D 78A 12 79C3D 80A 13 81C4D 82A 14 83O4D 84A 15 85O3D 86A 16 87C5D 88A 17 89O5D 90A 18 91PA 92A 19 93O1A 94A 20 95O2A 96A 21 97O3A 98A 22 99PB 100A 23 101O1B 102A 24 103O2B 104A 25 105O3B 106M END 107> <InstanceId> 1081FR8_GDU_A_100 109 110> <ChemCompId> 111GDU 112 113> <PdbId> 1141FR8 115 116> <ChainId> 117A 118 119> <ResidueNumber> 120100 121 122> <InsertionCode> 123 124 125> <Model> 1261 127 128> <AltIds> 129 130 131> <MissingHeavyAtoms> 13211 133 134> <ObservedFormula> 135C9 N2 O12 P2 136 137> <Name> 138GALACTOSE-URIDINE-5'-DIPHOSPHATE 139 140> <SystematicName> 141[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phosphoryl] hydrogen phosphate 142 143> <Synonyms> 144UDP-D-GALACTOPYRANOSE 145 146> <Type> 147NON-POLYMER 148 149> <Formula> 150C15 H24 N2 O17 P2 151 152> <MolecularWeight> 153566.302 154 155> <ModifiedDate> 1562011-06-04 157 158> <Parent> 159 160 161> <OneLetterCode> 162 163 164> <SubcomponentList> 165 166 167> <AmbiguousFlag> 168N 169 170> <InChI> 171InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8+,9-,10+,11-,12-,13-,14-/m1/s1 172 173> <InChIKey> 174HSCJRCZFDFQWRP-ABVWGUQPSA-N 175 176> <SMILES> 177C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)O 178 179$$$$ 180